USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 784 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 Single : A 1 GLY N :NH3+ -114:sc= 0.0773 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 4 MET CE :methyl 152:sc= -0.337 (180deg=-1.28!) USER MOD Single : A 5 GLN : amide:sc= -0.901 K(o=-0.9,f=-1.6) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -164:sc=-0.00641 (180deg=-0.104) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -150:sc= -0.0695 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 28 SER OG : rot 180:sc= 0.018 USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0.0687 (180deg=0.0681) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -138:sc= -0.61 (180deg=-1.56!) USER MOD Single : A 48 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 51 MET CE :methyl 179:sc= -2.5 (180deg=-2.52) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -5.87! C(o=-5.9!,f=-4.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 21:sc= -1.12 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-3.9!) USER MOD Single : A 82 ASN : amide:sc= -5.52! K(o=-5.5!,f=-1.8) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0.356 (180deg=0.356) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -5.06! C(o=-5.1!,f=-13!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.385 19.179 -1.752 1.00 0.00 N ATOM 2 CA GLY A 1 -9.382 19.104 -2.851 1.00 0.00 C ATOM 3 C GLY A 1 -9.905 18.367 -4.069 1.00 0.00 C ATOM 4 O GLY A 1 -11.043 17.894 -4.076 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.667 20.169 -1.606 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.221 18.615 -2.006 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.968 18.805 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.089 20.113 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.485 18.604 -2.486 1.00 0.00 H new ATOM 10 N SER A 2 -9.075 18.269 -5.101 1.00 0.00 N ATOM 11 CA SER A 2 -9.458 17.585 -6.331 1.00 0.00 C ATOM 12 C SER A 2 -9.689 16.097 -6.080 1.00 0.00 C ATOM 13 O SER A 2 -8.761 15.363 -5.740 1.00 0.00 O ATOM 14 CB SER A 2 -8.382 17.774 -7.402 1.00 0.00 C ATOM 15 OG SER A 2 -8.956 18.143 -8.643 1.00 0.00 O ATOM 0 H SER A 2 -8.131 18.655 -5.111 1.00 0.00 H new ATOM 0 HA SER A 2 -10.392 18.023 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.677 18.541 -7.082 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.816 16.850 -7.520 1.00 0.00 H new ATOM 0 HG SER A 2 -8.247 18.259 -9.310 1.00 0.00 H new ATOM 21 N HIS A 3 -10.933 15.660 -6.252 1.00 0.00 N ATOM 22 CA HIS A 3 -11.288 14.260 -6.045 1.00 0.00 C ATOM 23 C HIS A 3 -11.026 13.837 -4.604 1.00 0.00 C ATOM 24 O HIS A 3 -9.924 13.410 -4.260 1.00 0.00 O ATOM 25 CB HIS A 3 -10.504 13.366 -7.006 1.00 0.00 C ATOM 26 CG HIS A 3 -11.167 13.197 -8.338 1.00 0.00 C ATOM 27 ND1 HIS A 3 -12.351 12.512 -8.508 1.00 0.00 N ATOM 28 CD2 HIS A 3 -10.809 13.635 -9.568 1.00 0.00 C ATOM 29 CE1 HIS A 3 -12.693 12.532 -9.783 1.00 0.00 C ATOM 30 NE2 HIS A 3 -11.775 13.209 -10.448 1.00 0.00 N ATOM 0 H HIS A 3 -11.712 16.255 -6.534 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.354 14.148 -6.246 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.510 13.789 -7.154 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.368 12.386 -6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.929 14.211 -9.812 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -13.573 12.073 -10.209 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.782 13.387 -11.452 1.00 0.00 H new ATOM 38 N MET A 4 -12.050 13.961 -3.765 1.00 0.00 N ATOM 39 CA MET A 4 -11.939 13.595 -2.357 1.00 0.00 C ATOM 40 C MET A 4 -11.680 12.099 -2.197 1.00 0.00 C ATOM 41 O MET A 4 -10.689 11.691 -1.590 1.00 0.00 O ATOM 42 CB MET A 4 -13.217 13.983 -1.609 1.00 0.00 C ATOM 43 CG MET A 4 -13.275 15.453 -1.223 1.00 0.00 C ATOM 44 SD MET A 4 -13.631 16.526 -2.628 1.00 0.00 S ATOM 45 CE MET A 4 -15.238 15.909 -3.124 1.00 0.00 C ATOM 0 H MET A 4 -12.968 14.313 -4.037 1.00 0.00 H new ATOM 0 HA MET A 4 -11.094 14.137 -1.933 1.00 0.00 H new ATOM 0 HB2 MET A 4 -14.079 13.746 -2.232 1.00 0.00 H new ATOM 0 HB3 MET A 4 -13.299 13.376 -0.707 1.00 0.00 H new ATOM 0 HG2 MET A 4 -14.040 15.594 -0.460 1.00 0.00 H new ATOM 0 HG3 MET A 4 -12.324 15.746 -0.779 1.00 0.00 H new ATOM 0 HE1 MET A 4 -15.804 16.709 -3.601 1.00 0.00 H new ATOM 0 HE2 MET A 4 -15.111 15.086 -3.827 1.00 0.00 H new ATOM 0 HE3 MET A 4 -15.779 15.556 -2.246 1.00 0.00 H new ATOM 55 N GLN A 5 -12.581 11.289 -2.742 1.00 0.00 N ATOM 56 CA GLN A 5 -12.457 9.838 -2.660 1.00 0.00 C ATOM 57 C GLN A 5 -11.731 9.278 -3.881 1.00 0.00 C ATOM 58 O GLN A 5 -12.111 9.548 -5.019 1.00 0.00 O ATOM 59 CB GLN A 5 -13.843 9.196 -2.534 1.00 0.00 C ATOM 60 CG GLN A 5 -14.809 9.605 -3.635 1.00 0.00 C ATOM 61 CD GLN A 5 -15.611 10.841 -3.277 1.00 0.00 C ATOM 62 OE1 GLN A 5 -15.476 11.887 -3.912 1.00 0.00 O ATOM 63 NE2 GLN A 5 -16.451 10.728 -2.255 1.00 0.00 N ATOM 0 H GLN A 5 -13.406 11.613 -3.246 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.869 9.599 -1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -13.733 8.112 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -14.272 9.465 -1.569 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -14.251 9.792 -4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -15.491 8.780 -3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.531 9.842 -1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -17.016 11.527 -1.968 1.00 0.00 H new ATOM 72 N ALA A 6 -10.680 8.500 -3.633 1.00 0.00 N ATOM 73 CA ALA A 6 -9.898 7.904 -4.709 1.00 0.00 C ATOM 74 C ALA A 6 -10.695 6.828 -5.443 1.00 0.00 C ATOM 75 O ALA A 6 -11.486 6.106 -4.838 1.00 0.00 O ATOM 76 CB ALA A 6 -8.603 7.325 -4.161 1.00 0.00 C ATOM 0 H ALA A 6 -10.352 8.269 -2.695 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.658 8.689 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.029 6.883 -4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.019 8.118 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.832 6.558 -3.421 1.00 0.00 H new ATOM 82 N THR A 7 -10.477 6.730 -6.751 1.00 0.00 N ATOM 83 CA THR A 7 -11.172 5.746 -7.576 1.00 0.00 C ATOM 84 C THR A 7 -10.186 4.986 -8.457 1.00 0.00 C ATOM 85 O THR A 7 -9.083 5.464 -8.722 1.00 0.00 O ATOM 86 CB THR A 7 -12.223 6.436 -8.452 1.00 0.00 C ATOM 87 OG1 THR A 7 -11.886 7.800 -8.661 1.00 0.00 O ATOM 88 CG2 THR A 7 -13.621 6.378 -7.872 1.00 0.00 C ATOM 0 H THR A 7 -9.823 7.321 -7.264 1.00 0.00 H new ATOM 0 HA THR A 7 -11.667 5.036 -6.913 1.00 0.00 H new ATOM 0 HB THR A 7 -12.223 5.886 -9.393 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.568 8.223 -9.224 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.315 6.885 -8.543 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.924 5.337 -7.756 1.00 0.00 H new ATOM 0 HG23 THR A 7 -13.632 6.870 -6.899 1.00 0.00 H new ATOM 96 N TRP A 8 -10.594 3.807 -8.916 1.00 0.00 N ATOM 97 CA TRP A 8 -9.747 2.990 -9.774 1.00 0.00 C ATOM 98 C TRP A 8 -10.565 2.332 -10.881 1.00 0.00 C ATOM 99 O TRP A 8 -11.786 2.479 -10.942 1.00 0.00 O ATOM 100 CB TRP A 8 -9.030 1.917 -8.954 1.00 0.00 C ATOM 101 CG TRP A 8 -8.020 2.482 -8.005 1.00 0.00 C ATOM 102 CD1 TRP A 8 -8.270 3.266 -6.918 1.00 0.00 C ATOM 103 CD2 TRP A 8 -6.599 2.311 -8.064 1.00 0.00 C ATOM 104 NE1 TRP A 8 -7.093 3.598 -6.296 1.00 0.00 N ATOM 105 CE2 TRP A 8 -6.051 3.024 -6.980 1.00 0.00 C ATOM 106 CE3 TRP A 8 -5.734 1.626 -8.925 1.00 0.00 C ATOM 107 CZ2 TRP A 8 -4.682 3.072 -6.736 1.00 0.00 C ATOM 108 CZ3 TRP A 8 -4.375 1.677 -8.682 1.00 0.00 C ATOM 109 CH2 TRP A 8 -3.861 2.395 -7.597 1.00 0.00 C ATOM 0 H TRP A 8 -11.505 3.398 -8.708 1.00 0.00 H new ATOM 0 HA TRP A 8 -9.005 3.644 -10.231 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -9.768 1.344 -8.392 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -8.534 1.221 -9.631 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -9.251 3.580 -6.594 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -7.007 4.177 -5.461 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -6.122 1.068 -9.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.282 3.623 -5.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.698 1.154 -9.341 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.793 2.416 -7.435 1.00 0.00 H new ATOM 120 N LYS A 9 -9.879 1.596 -11.746 1.00 0.00 N ATOM 121 CA LYS A 9 -10.526 0.891 -12.850 1.00 0.00 C ATOM 122 C LYS A 9 -9.914 -0.494 -13.030 1.00 0.00 C ATOM 123 O LYS A 9 -10.124 -1.150 -14.051 1.00 0.00 O ATOM 124 CB LYS A 9 -10.391 1.680 -14.157 1.00 0.00 C ATOM 125 CG LYS A 9 -10.419 3.188 -13.981 1.00 0.00 C ATOM 126 CD LYS A 9 -11.831 3.734 -14.086 1.00 0.00 C ATOM 127 CE LYS A 9 -12.133 4.221 -15.494 1.00 0.00 C ATOM 128 NZ LYS A 9 -11.431 5.497 -15.801 1.00 0.00 N ATOM 0 H LYS A 9 -8.868 1.470 -11.705 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.584 0.790 -12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.456 1.400 -14.642 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.199 1.389 -14.829 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.998 3.450 -13.010 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.790 3.656 -14.738 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.544 2.959 -13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.959 4.555 -13.380 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.834 3.459 -16.214 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.208 4.361 -15.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.859 5.935 -16.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.517 6.144 -14.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.426 5.305 -15.985 1.00 0.00 H new ATOM 142 N GLU A 10 -9.138 -0.921 -12.041 1.00 0.00 N ATOM 143 CA GLU A 10 -8.474 -2.213 -12.095 1.00 0.00 C ATOM 144 C GLU A 10 -9.468 -3.365 -11.998 1.00 0.00 C ATOM 145 O GLU A 10 -10.401 -3.335 -11.196 1.00 0.00 O ATOM 146 CB GLU A 10 -7.430 -2.314 -10.984 1.00 0.00 C ATOM 147 CG GLU A 10 -8.003 -2.143 -9.585 1.00 0.00 C ATOM 148 CD GLU A 10 -6.941 -1.779 -8.566 1.00 0.00 C ATOM 149 OE1 GLU A 10 -5.795 -2.257 -8.705 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.254 -1.013 -7.631 1.00 0.00 O ATOM 0 H GLU A 10 -8.954 -0.388 -11.191 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.977 -2.291 -13.062 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.937 -3.284 -11.049 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.664 -1.556 -11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.768 -1.367 -9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.493 -3.068 -9.280 1.00 0.00 H new ATOM 157 N LYS A 11 -9.250 -4.383 -12.828 1.00 0.00 N ATOM 158 CA LYS A 11 -10.112 -5.558 -12.852 1.00 0.00 C ATOM 159 C LYS A 11 -9.995 -6.328 -11.534 1.00 0.00 C ATOM 160 O LYS A 11 -9.904 -5.721 -10.467 1.00 0.00 O ATOM 161 CB LYS A 11 -9.745 -6.448 -14.045 1.00 0.00 C ATOM 162 CG LYS A 11 -9.685 -5.703 -15.370 1.00 0.00 C ATOM 163 CD LYS A 11 -8.972 -6.516 -16.439 1.00 0.00 C ATOM 164 CE LYS A 11 -9.556 -6.257 -17.819 1.00 0.00 C ATOM 165 NZ LYS A 11 -8.764 -6.919 -18.893 1.00 0.00 N ATOM 0 H LYS A 11 -8.479 -4.415 -13.495 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.149 -5.241 -12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.777 -6.913 -13.856 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.475 -7.253 -14.124 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.696 -5.471 -15.703 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.169 -4.753 -15.231 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.911 -6.267 -16.439 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.050 -7.577 -16.203 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.584 -6.618 -17.851 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.590 -5.183 -18.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.196 -6.717 -19.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.789 -6.556 -18.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.753 -7.947 -18.733 1.00 0.00 H new ATOM 179 N ASP A 12 -9.999 -7.661 -11.599 1.00 0.00 N ATOM 180 CA ASP A 12 -9.892 -8.476 -10.395 1.00 0.00 C ATOM 181 C ASP A 12 -9.021 -9.708 -10.634 1.00 0.00 C ATOM 182 O ASP A 12 -9.130 -10.701 -9.916 1.00 0.00 O ATOM 183 CB ASP A 12 -11.285 -8.901 -9.916 1.00 0.00 C ATOM 184 CG ASP A 12 -11.755 -8.094 -8.724 1.00 0.00 C ATOM 185 OD1 ASP A 12 -10.898 -7.653 -7.929 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.982 -7.903 -8.581 1.00 0.00 O ATOM 0 H ASP A 12 -10.075 -8.192 -12.466 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.417 -7.871 -9.623 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.998 -8.787 -10.733 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.269 -9.958 -9.652 1.00 0.00 H new ATOM 191 N GLY A 13 -8.164 -9.643 -11.649 1.00 0.00 N ATOM 192 CA GLY A 13 -7.297 -10.768 -11.959 1.00 0.00 C ATOM 193 C GLY A 13 -5.916 -10.632 -11.346 1.00 0.00 C ATOM 194 O GLY A 13 -5.707 -9.830 -10.436 1.00 0.00 O ATOM 0 H GLY A 13 -8.054 -8.834 -12.261 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.760 -11.687 -11.600 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.202 -10.860 -13.041 1.00 0.00 H new ATOM 198 N ALA A 14 -4.973 -11.429 -11.841 1.00 0.00 N ATOM 199 CA ALA A 14 -3.603 -11.411 -11.335 1.00 0.00 C ATOM 200 C ALA A 14 -2.884 -10.110 -11.692 1.00 0.00 C ATOM 201 O ALA A 14 -3.476 -9.200 -12.271 1.00 0.00 O ATOM 202 CB ALA A 14 -2.835 -12.609 -11.872 1.00 0.00 C ATOM 0 H ALA A 14 -5.133 -12.098 -12.595 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.646 -11.471 -10.247 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.814 -12.588 -11.490 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.324 -13.529 -11.550 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.815 -12.570 -12.961 1.00 0.00 H new ATOM 208 N VAL A 15 -1.587 -10.059 -11.390 1.00 0.00 N ATOM 209 CA VAL A 15 -0.766 -8.900 -11.731 1.00 0.00 C ATOM 210 C VAL A 15 -0.611 -8.786 -13.242 1.00 0.00 C ATOM 211 O VAL A 15 -0.552 -9.799 -13.939 1.00 0.00 O ATOM 212 CB VAL A 15 0.628 -8.963 -11.077 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.432 -10.133 -11.623 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.378 -7.649 -11.267 1.00 0.00 C ATOM 0 H VAL A 15 -1.084 -10.806 -10.911 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.280 -8.020 -11.344 1.00 0.00 H new ATOM 0 HB VAL A 15 0.491 -9.120 -10.007 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.412 -10.156 -11.146 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.906 -11.065 -11.415 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.556 -10.018 -12.700 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.359 -7.719 -10.797 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.499 -7.450 -12.332 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.813 -6.838 -10.809 1.00 0.00 H new ATOM 224 N GLU A 16 -0.511 -7.567 -13.750 1.00 0.00 N ATOM 225 CA GLU A 16 -0.324 -7.357 -15.176 1.00 0.00 C ATOM 226 C GLU A 16 0.750 -6.296 -15.406 1.00 0.00 C ATOM 227 O GLU A 16 1.145 -5.593 -14.476 1.00 0.00 O ATOM 228 CB GLU A 16 -1.640 -6.956 -15.850 1.00 0.00 C ATOM 229 CG GLU A 16 -2.482 -8.140 -16.296 1.00 0.00 C ATOM 230 CD GLU A 16 -3.165 -7.904 -17.628 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.333 -6.726 -18.008 1.00 0.00 O ATOM 232 OE2 GLU A 16 -3.531 -8.896 -18.292 1.00 0.00 O ATOM 0 H GLU A 16 -0.556 -6.711 -13.197 1.00 0.00 H new ATOM 0 HA GLU A 16 0.004 -8.294 -15.627 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.222 -6.347 -15.158 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.419 -6.331 -16.716 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.849 -9.024 -16.369 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.236 -8.350 -15.538 1.00 0.00 H new ATOM 239 N ALA A 17 1.251 -6.235 -16.638 1.00 0.00 N ATOM 240 CA ALA A 17 2.332 -5.309 -17.009 1.00 0.00 C ATOM 241 C ALA A 17 2.451 -4.139 -16.020 1.00 0.00 C ATOM 242 O ALA A 17 3.394 -4.089 -15.232 1.00 0.00 O ATOM 243 CB ALA A 17 2.114 -4.786 -18.421 1.00 0.00 C ATOM 0 H ALA A 17 0.925 -6.820 -17.407 1.00 0.00 H new ATOM 0 HA ALA A 17 3.269 -5.865 -16.971 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.921 -4.102 -18.684 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.104 -5.621 -19.121 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.161 -4.260 -18.471 1.00 0.00 H new ATOM 249 N GLU A 18 1.513 -3.199 -16.068 1.00 0.00 N ATOM 250 CA GLU A 18 1.559 -2.042 -15.169 1.00 0.00 C ATOM 251 C GLU A 18 0.335 -1.996 -14.254 1.00 0.00 C ATOM 252 O GLU A 18 -0.557 -1.165 -14.434 1.00 0.00 O ATOM 253 CB GLU A 18 1.649 -0.748 -15.981 1.00 0.00 C ATOM 254 CG GLU A 18 2.958 -0.597 -16.741 1.00 0.00 C ATOM 255 CD GLU A 18 2.750 -0.317 -18.217 1.00 0.00 C ATOM 256 OE1 GLU A 18 1.686 -0.697 -18.751 1.00 0.00 O ATOM 257 OE2 GLU A 18 3.652 0.281 -18.840 1.00 0.00 O ATOM 0 H GLU A 18 0.720 -3.210 -16.709 1.00 0.00 H new ATOM 0 HA GLU A 18 2.446 -2.141 -14.543 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.821 -0.715 -16.689 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.528 0.102 -15.309 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.538 0.214 -16.300 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.546 -1.508 -16.628 1.00 0.00 H new ATOM 264 N ASP A 19 0.288 -2.913 -13.284 1.00 0.00 N ATOM 265 CA ASP A 19 -0.842 -3.001 -12.353 1.00 0.00 C ATOM 266 C ASP A 19 -0.549 -2.352 -10.998 1.00 0.00 C ATOM 267 O ASP A 19 0.511 -1.766 -10.794 1.00 0.00 O ATOM 268 CB ASP A 19 -1.192 -4.467 -12.130 1.00 0.00 C ATOM 269 CG ASP A 19 -2.055 -5.021 -13.237 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.102 -4.402 -14.321 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.690 -6.074 -13.020 1.00 0.00 O ATOM 0 H ASP A 19 1.019 -3.606 -13.122 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.673 -2.458 -12.803 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.275 -5.051 -12.060 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.712 -4.574 -11.178 1.00 0.00 H new ATOM 276 N ARG A 20 -1.507 -2.485 -10.070 1.00 0.00 N ATOM 277 CA ARG A 20 -1.365 -1.945 -8.720 1.00 0.00 C ATOM 278 C ARG A 20 -1.994 -2.891 -7.698 1.00 0.00 C ATOM 279 O ARG A 20 -3.213 -3.054 -7.657 1.00 0.00 O ATOM 280 CB ARG A 20 -2.015 -0.570 -8.609 1.00 0.00 C ATOM 281 CG ARG A 20 -1.195 0.541 -9.234 1.00 0.00 C ATOM 282 CD ARG A 20 -0.720 1.549 -8.201 1.00 0.00 C ATOM 283 NE ARG A 20 -0.652 2.896 -8.770 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.889 4.015 -8.088 1.00 0.00 C ATOM 285 NH1 ARG A 20 -1.174 3.973 -6.793 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.833 5.188 -8.707 1.00 0.00 N ATOM 0 H ARG A 20 -2.391 -2.965 -10.236 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.300 -1.846 -8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.994 -0.601 -9.087 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.181 -0.340 -7.557 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.333 0.112 -9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.792 1.051 -9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.397 1.546 -7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.263 1.258 -7.830 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.406 2.983 -9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.214 3.076 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.354 4.837 -6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.609 5.230 -9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.014 6.047 -8.188 1.00 0.00 H new ATOM 300 N VAL A 21 -1.156 -3.499 -6.866 1.00 0.00 N ATOM 301 CA VAL A 21 -1.623 -4.420 -5.827 1.00 0.00 C ATOM 302 C VAL A 21 -1.835 -3.706 -4.492 1.00 0.00 C ATOM 303 O VAL A 21 -1.394 -2.572 -4.307 1.00 0.00 O ATOM 304 CB VAL A 21 -0.618 -5.568 -5.610 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.423 -6.370 -6.888 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.712 -5.023 -5.113 1.00 0.00 C ATOM 0 H VAL A 21 -0.144 -3.372 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.575 -4.821 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.025 -6.236 -4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.291 -7.174 -6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.377 -6.795 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.043 -5.717 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.410 -5.847 -4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.119 -4.330 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.561 -4.501 -4.168 1.00 0.00 H new ATOM 316 N THR A 22 -2.475 -4.399 -3.547 1.00 0.00 N ATOM 317 CA THR A 22 -2.696 -3.854 -2.212 1.00 0.00 C ATOM 318 C THR A 22 -1.978 -4.726 -1.191 1.00 0.00 C ATOM 319 O THR A 22 -2.308 -5.899 -1.033 1.00 0.00 O ATOM 320 CB THR A 22 -4.185 -3.786 -1.880 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.875 -2.969 -2.810 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.454 -3.240 -0.493 1.00 0.00 C ATOM 0 H THR A 22 -2.848 -5.338 -3.685 1.00 0.00 H new ATOM 0 HA THR A 22 -2.300 -2.839 -2.181 1.00 0.00 H new ATOM 0 HB THR A 22 -4.543 -4.814 -1.928 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.645 -2.551 -2.370 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.529 -3.215 -0.314 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.977 -3.880 0.249 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.050 -2.231 -0.415 1.00 0.00 H new ATOM 330 N ILE A 23 -0.978 -4.166 -0.518 1.00 0.00 N ATOM 331 CA ILE A 23 -0.211 -4.933 0.458 1.00 0.00 C ATOM 332 C ILE A 23 -0.120 -4.247 1.820 1.00 0.00 C ATOM 333 O ILE A 23 -0.215 -3.025 1.932 1.00 0.00 O ATOM 334 CB ILE A 23 1.230 -5.180 -0.029 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.904 -3.852 -0.376 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.257 -6.131 -1.222 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.318 -4.009 -0.883 1.00 0.00 C ATOM 0 H ILE A 23 -0.682 -3.196 -0.628 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.752 -5.873 0.566 1.00 0.00 H new ATOM 0 HB ILE A 23 1.787 -5.653 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.310 -3.339 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.912 -3.216 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.288 -6.285 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.820 -7.087 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.683 -5.701 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.734 -3.027 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.926 -4.494 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.315 -4.619 -1.786 1.00 0.00 H new ATOM 349 N ASP A 24 0.125 -5.064 2.840 1.00 0.00 N ATOM 350 CA ASP A 24 0.306 -4.602 4.213 1.00 0.00 C ATOM 351 C ASP A 24 1.631 -5.174 4.712 1.00 0.00 C ATOM 352 O ASP A 24 1.827 -6.388 4.672 1.00 0.00 O ATOM 353 CB ASP A 24 -0.841 -5.082 5.109 1.00 0.00 C ATOM 354 CG ASP A 24 -1.007 -6.586 5.083 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.590 -7.102 4.105 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.553 -7.252 6.038 1.00 0.00 O ATOM 0 H ASP A 24 0.204 -6.076 2.736 1.00 0.00 H new ATOM 0 HA ASP A 24 0.311 -3.512 4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.658 -4.758 6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.770 -4.612 4.787 1.00 0.00 H new ATOM 361 N PHE A 25 2.560 -4.324 5.137 1.00 0.00 N ATOM 362 CA PHE A 25 3.864 -4.825 5.574 1.00 0.00 C ATOM 363 C PHE A 25 4.418 -4.089 6.782 1.00 0.00 C ATOM 364 O PHE A 25 3.883 -3.071 7.215 1.00 0.00 O ATOM 365 CB PHE A 25 4.864 -4.725 4.419 1.00 0.00 C ATOM 366 CG PHE A 25 5.271 -3.316 4.079 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.115 -2.600 4.912 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.789 -2.701 2.934 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.468 -1.296 4.613 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.135 -1.399 2.637 1.00 0.00 C ATOM 371 CZ PHE A 25 5.972 -0.697 3.474 1.00 0.00 C ATOM 0 H PHE A 25 2.444 -3.312 5.189 1.00 0.00 H new ATOM 0 HA PHE A 25 3.716 -5.863 5.874 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.756 -5.298 4.674 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.429 -5.190 3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.502 -3.066 5.806 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.136 -3.246 2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.129 -0.749 5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.748 -0.929 1.745 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.240 0.322 3.239 1.00 0.00 H new ATOM 381 N THR A 26 5.503 -4.635 7.322 1.00 0.00 N ATOM 382 CA THR A 26 6.161 -4.059 8.490 1.00 0.00 C ATOM 383 C THR A 26 7.651 -4.395 8.501 1.00 0.00 C ATOM 384 O THR A 26 8.030 -5.566 8.572 1.00 0.00 O ATOM 385 CB THR A 26 5.502 -4.576 9.768 1.00 0.00 C ATOM 386 OG1 THR A 26 4.101 -4.371 9.726 1.00 0.00 O ATOM 387 CG2 THR A 26 6.028 -3.915 11.022 1.00 0.00 C ATOM 0 H THR A 26 5.948 -5.481 6.967 1.00 0.00 H new ATOM 0 HA THR A 26 6.055 -2.975 8.441 1.00 0.00 H new ATOM 0 HB THR A 26 5.744 -5.638 9.810 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.696 -4.709 10.552 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.518 -4.328 11.892 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.099 -4.098 11.108 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.847 -2.841 10.971 1.00 0.00 H new ATOM 395 N GLY A 27 8.495 -3.366 8.435 1.00 0.00 N ATOM 396 CA GLY A 27 9.933 -3.586 8.441 1.00 0.00 C ATOM 397 C GLY A 27 10.723 -2.349 8.824 1.00 0.00 C ATOM 398 O GLY A 27 10.177 -1.252 8.906 1.00 0.00 O ATOM 0 H GLY A 27 8.210 -2.388 8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.168 -4.390 9.138 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.248 -3.919 7.452 1.00 0.00 H new ATOM 402 N SER A 28 12.017 -2.534 9.068 1.00 0.00 N ATOM 403 CA SER A 28 12.900 -1.433 9.456 1.00 0.00 C ATOM 404 C SER A 28 13.887 -1.085 8.347 1.00 0.00 C ATOM 405 O SER A 28 13.924 -1.739 7.306 1.00 0.00 O ATOM 406 CB SER A 28 13.675 -1.800 10.723 1.00 0.00 C ATOM 407 OG SER A 28 13.884 -3.199 10.802 1.00 0.00 O ATOM 0 H SER A 28 12.481 -3.440 9.004 1.00 0.00 H new ATOM 0 HA SER A 28 12.272 -0.562 9.643 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.635 -1.284 10.729 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.126 -1.460 11.601 1.00 0.00 H new ATOM 0 HG SER A 28 14.383 -3.410 11.619 1.00 0.00 H new ATOM 413 N VAL A 29 14.696 -0.057 8.594 1.00 0.00 N ATOM 414 CA VAL A 29 15.703 0.379 7.636 1.00 0.00 C ATOM 415 C VAL A 29 17.113 0.186 8.198 1.00 0.00 C ATOM 416 O VAL A 29 17.826 -0.728 7.782 1.00 0.00 O ATOM 417 CB VAL A 29 15.473 1.847 7.183 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.196 2.770 8.364 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.646 2.363 6.355 1.00 0.00 C ATOM 0 H VAL A 29 14.671 0.490 9.454 1.00 0.00 H new ATOM 0 HA VAL A 29 15.604 -0.249 6.750 1.00 0.00 H new ATOM 0 HB VAL A 29 14.585 1.849 6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.041 3.787 8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.303 2.431 8.889 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.046 2.753 9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.454 3.393 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.558 2.324 6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.766 1.742 5.467 1.00 0.00 H new ATOM 429 N ASP A 30 17.511 1.023 9.148 1.00 0.00 N ATOM 430 CA ASP A 30 18.829 0.899 9.754 1.00 0.00 C ATOM 431 C ASP A 30 18.734 0.102 11.049 1.00 0.00 C ATOM 432 O ASP A 30 19.404 0.411 12.035 1.00 0.00 O ATOM 433 CB ASP A 30 19.430 2.280 10.015 1.00 0.00 C ATOM 434 CG ASP A 30 20.219 2.791 8.825 1.00 0.00 C ATOM 435 OD1 ASP A 30 19.822 2.493 7.680 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.235 3.487 9.039 1.00 0.00 O ATOM 0 H ASP A 30 16.945 1.789 9.513 1.00 0.00 H new ATOM 0 HA ASP A 30 19.485 0.368 9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.632 2.984 10.250 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.081 2.233 10.888 1.00 0.00 H new ATOM 441 N GLY A 31 17.879 -0.917 11.040 1.00 0.00 N ATOM 442 CA GLY A 31 17.684 -1.735 12.218 1.00 0.00 C ATOM 443 C GLY A 31 16.481 -1.282 13.022 1.00 0.00 C ATOM 444 O GLY A 31 16.041 -1.975 13.939 1.00 0.00 O ATOM 0 H GLY A 31 17.317 -1.189 10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.552 -2.775 11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.576 -1.692 12.843 1.00 0.00 H new ATOM 448 N GLU A 32 15.948 -0.110 12.674 1.00 0.00 N ATOM 449 CA GLU A 32 14.790 0.442 13.364 1.00 0.00 C ATOM 450 C GLU A 32 13.730 0.915 12.372 1.00 0.00 C ATOM 451 O GLU A 32 14.015 1.687 11.457 1.00 0.00 O ATOM 452 CB GLU A 32 15.214 1.606 14.260 1.00 0.00 C ATOM 453 CG GLU A 32 16.364 1.270 15.197 1.00 0.00 C ATOM 454 CD GLU A 32 17.454 2.323 15.183 1.00 0.00 C ATOM 455 OE1 GLU A 32 18.046 2.552 14.108 1.00 0.00 O ATOM 456 OE2 GLU A 32 17.715 2.922 16.248 1.00 0.00 O ATOM 0 H GLU A 32 16.303 0.473 11.916 1.00 0.00 H new ATOM 0 HA GLU A 32 14.358 -0.349 13.978 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.503 2.449 13.633 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.357 1.928 14.852 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.981 1.162 16.212 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.790 0.308 14.913 1.00 0.00 H new ATOM 463 N GLU A 33 12.503 0.446 12.571 1.00 0.00 N ATOM 464 CA GLU A 33 11.385 0.805 11.715 1.00 0.00 C ATOM 465 C GLU A 33 11.110 2.292 11.792 1.00 0.00 C ATOM 466 O GLU A 33 10.799 2.827 12.858 1.00 0.00 O ATOM 467 CB GLU A 33 10.136 0.016 12.112 1.00 0.00 C ATOM 468 CG GLU A 33 9.911 -0.068 13.613 1.00 0.00 C ATOM 469 CD GLU A 33 10.264 -1.429 14.180 1.00 0.00 C ATOM 470 OE1 GLU A 33 9.628 -2.424 13.773 1.00 0.00 O ATOM 471 OE2 GLU A 33 11.174 -1.500 15.032 1.00 0.00 O ATOM 0 H GLU A 33 12.259 -0.192 13.329 1.00 0.00 H new ATOM 0 HA GLU A 33 11.646 0.554 10.687 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.264 0.478 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.213 -0.994 11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.510 0.695 14.110 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.867 0.154 13.833 1.00 0.00 H new ATOM 478 N PHE A 34 11.247 2.961 10.659 1.00 0.00 N ATOM 479 CA PHE A 34 11.041 4.403 10.562 1.00 0.00 C ATOM 480 C PHE A 34 9.565 4.757 10.391 1.00 0.00 C ATOM 481 O PHE A 34 8.701 4.206 11.074 1.00 0.00 O ATOM 482 CB PHE A 34 11.910 4.963 9.408 1.00 0.00 C ATOM 483 CG PHE A 34 11.540 4.492 8.013 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.684 3.162 7.635 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.061 5.394 7.072 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.357 2.748 6.358 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.730 4.983 5.795 1.00 0.00 C ATOM 488 CZ PHE A 34 10.877 3.659 5.438 1.00 0.00 C ATOM 0 H PHE A 34 11.505 2.521 9.776 1.00 0.00 H new ATOM 0 HA PHE A 34 11.353 4.869 11.496 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.853 6.051 9.431 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.949 4.695 9.598 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.057 2.443 8.349 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.945 6.433 7.343 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.477 1.711 6.079 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.356 5.698 5.077 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.617 3.335 4.441 1.00 0.00 H new ATOM 498 N GLU A 35 9.283 5.653 9.469 1.00 0.00 N ATOM 499 CA GLU A 35 7.918 6.073 9.172 1.00 0.00 C ATOM 500 C GLU A 35 7.147 4.952 8.478 1.00 0.00 C ATOM 501 O GLU A 35 6.095 4.519 8.951 1.00 0.00 O ATOM 502 CB GLU A 35 7.931 7.317 8.281 1.00 0.00 C ATOM 503 CG GLU A 35 8.282 8.597 9.022 1.00 0.00 C ATOM 504 CD GLU A 35 9.727 9.009 8.822 1.00 0.00 C ATOM 505 OE1 GLU A 35 10.099 9.337 7.676 1.00 0.00 O ATOM 506 OE2 GLU A 35 10.488 9.006 9.813 1.00 0.00 O ATOM 0 H GLU A 35 9.992 6.116 8.899 1.00 0.00 H new ATOM 0 HA GLU A 35 7.421 6.309 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.648 7.167 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.950 7.432 7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.629 9.400 8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.091 8.460 10.086 1.00 0.00 H new ATOM 513 N GLY A 36 7.682 4.489 7.348 1.00 0.00 N ATOM 514 CA GLY A 36 7.041 3.424 6.595 1.00 0.00 C ATOM 515 C GLY A 36 7.377 2.045 7.118 1.00 0.00 C ATOM 516 O GLY A 36 7.187 1.051 6.421 1.00 0.00 O ATOM 0 H GLY A 36 8.551 4.835 6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.961 3.565 6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.342 3.493 5.550 1.00 0.00 H new ATOM 520 N GLY A 37 7.871 1.976 8.350 1.00 0.00 N ATOM 521 CA GLY A 37 8.212 0.695 8.931 1.00 0.00 C ATOM 522 C GLY A 37 7.002 -0.203 9.120 1.00 0.00 C ATOM 523 O GLY A 37 7.143 -1.377 9.457 1.00 0.00 O ATOM 0 H GLY A 37 8.040 2.782 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.937 0.192 8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.695 0.855 9.895 1.00 0.00 H new ATOM 527 N LYS A 38 5.809 0.348 8.895 1.00 0.00 N ATOM 528 CA LYS A 38 4.574 -0.413 9.032 1.00 0.00 C ATOM 529 C LYS A 38 3.501 0.136 8.097 1.00 0.00 C ATOM 530 O LYS A 38 3.126 1.306 8.180 1.00 0.00 O ATOM 531 CB LYS A 38 4.081 -0.384 10.480 1.00 0.00 C ATOM 532 CG LYS A 38 3.783 1.013 11.000 1.00 0.00 C ATOM 533 CD LYS A 38 4.676 1.371 12.177 1.00 0.00 C ATOM 534 CE LYS A 38 5.939 2.081 11.718 1.00 0.00 C ATOM 535 NZ LYS A 38 6.923 2.232 12.824 1.00 0.00 N ATOM 0 H LYS A 38 5.675 1.320 8.617 1.00 0.00 H new ATOM 0 HA LYS A 38 4.778 -1.448 8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.179 -0.991 10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.833 -0.846 11.119 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.926 1.739 10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.738 1.074 11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.129 2.010 12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.943 0.466 12.722 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.394 1.521 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.680 3.064 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.777 2.706 12.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.504 2.802 13.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.177 1.294 13.194 1.00 0.00 H new ATOM 549 N ALA A 39 3.014 -0.718 7.207 1.00 0.00 N ATOM 550 CA ALA A 39 1.987 -0.332 6.251 1.00 0.00 C ATOM 551 C ALA A 39 0.884 -1.380 6.207 1.00 0.00 C ATOM 552 O ALA A 39 1.138 -2.571 6.381 1.00 0.00 O ATOM 553 CB ALA A 39 2.591 -0.142 4.864 1.00 0.00 C ATOM 0 H ALA A 39 3.317 -1.689 7.128 1.00 0.00 H new ATOM 0 HA ALA A 39 1.556 0.616 6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.808 0.146 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.350 0.639 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.047 -1.076 4.535 1.00 0.00 H new ATOM 559 N SER A 40 -0.343 -0.931 5.981 1.00 0.00 N ATOM 560 CA SER A 40 -1.480 -1.837 5.922 1.00 0.00 C ATOM 561 C SER A 40 -2.093 -1.855 4.530 1.00 0.00 C ATOM 562 O SER A 40 -2.107 -2.886 3.861 1.00 0.00 O ATOM 563 CB SER A 40 -2.536 -1.436 6.953 1.00 0.00 C ATOM 564 OG SER A 40 -3.558 -2.414 7.043 1.00 0.00 O ATOM 0 H SER A 40 -0.575 0.052 5.836 1.00 0.00 H new ATOM 0 HA SER A 40 -1.121 -2.840 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.066 -1.306 7.928 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.971 -0.475 6.678 1.00 0.00 H new ATOM 0 HG SER A 40 -4.220 -2.135 7.710 1.00 0.00 H new ATOM 570 N ASP A 41 -2.548 -0.701 4.071 1.00 0.00 N ATOM 571 CA ASP A 41 -3.103 -0.560 2.741 1.00 0.00 C ATOM 572 C ASP A 41 -2.077 0.112 1.844 1.00 0.00 C ATOM 573 O ASP A 41 -2.253 1.266 1.448 1.00 0.00 O ATOM 574 CB ASP A 41 -4.398 0.256 2.778 1.00 0.00 C ATOM 575 CG ASP A 41 -4.255 1.531 3.586 1.00 0.00 C ATOM 576 OD1 ASP A 41 -4.325 1.455 4.831 1.00 0.00 O ATOM 577 OD2 ASP A 41 -4.073 2.604 2.975 1.00 0.00 O ATOM 0 H ASP A 41 -2.542 0.163 4.613 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.342 -1.547 2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.696 0.506 1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.196 -0.353 3.203 1.00 0.00 H new ATOM 582 N PHE A 42 -1.013 -0.596 1.517 1.00 0.00 N ATOM 583 CA PHE A 42 0.023 -0.038 0.655 1.00 0.00 C ATOM 584 C PHE A 42 -0.248 -0.413 -0.793 1.00 0.00 C ATOM 585 O PHE A 42 -0.019 -1.550 -1.204 1.00 0.00 O ATOM 586 CB PHE A 42 1.412 -0.528 1.080 1.00 0.00 C ATOM 587 CG PHE A 42 2.546 0.122 0.327 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.522 1.480 0.049 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.639 -0.623 -0.096 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.563 2.081 -0.637 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.681 -0.027 -0.780 1.00 0.00 C ATOM 592 CZ PHE A 42 4.642 1.326 -1.050 1.00 0.00 C ATOM 0 H PHE A 42 -0.840 -1.551 1.830 1.00 0.00 H new ATOM 0 HA PHE A 42 0.003 1.048 0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.542 -0.341 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.465 -1.607 0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.681 2.076 0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.675 -1.682 0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.531 3.140 -0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.525 -0.619 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.456 1.794 -1.584 1.00 0.00 H new ATOM 602 N VAL A 43 -0.740 0.550 -1.562 1.00 0.00 N ATOM 603 CA VAL A 43 -1.045 0.327 -2.960 1.00 0.00 C ATOM 604 C VAL A 43 0.217 0.403 -3.813 1.00 0.00 C ATOM 605 O VAL A 43 0.688 1.487 -4.157 1.00 0.00 O ATOM 606 CB VAL A 43 -2.080 1.354 -3.456 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.497 2.760 -3.447 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.590 0.979 -4.840 1.00 0.00 C ATOM 0 H VAL A 43 -0.935 1.496 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.466 -0.674 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.928 1.342 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.247 3.467 -3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.200 3.024 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.626 2.797 -4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.320 1.718 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.756 0.954 -5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.060 -0.004 -4.801 1.00 0.00 H new ATOM 618 N LEU A 44 0.769 -0.757 -4.139 1.00 0.00 N ATOM 619 CA LEU A 44 1.980 -0.826 -4.937 1.00 0.00 C ATOM 620 C LEU A 44 1.651 -0.875 -6.422 1.00 0.00 C ATOM 621 O LEU A 44 0.750 -1.598 -6.840 1.00 0.00 O ATOM 622 CB LEU A 44 2.800 -2.056 -4.544 1.00 0.00 C ATOM 623 CG LEU A 44 4.270 -1.792 -4.215 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.055 -3.090 -4.246 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.872 -0.785 -5.185 1.00 0.00 C ATOM 0 H LEU A 44 0.395 -1.664 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 44 2.566 0.073 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.330 -2.522 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.753 -2.778 -5.359 1.00 0.00 H new ATOM 0 HG LEU A 44 4.326 -1.370 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.100 -2.889 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.644 -3.782 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.986 -3.533 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.918 -0.614 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.805 -1.174 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.325 0.155 -5.120 1.00 0.00 H new ATOM 637 N ALA A 45 2.397 -0.110 -7.210 1.00 0.00 N ATOM 638 CA ALA A 45 2.199 -0.070 -8.654 1.00 0.00 C ATOM 639 C ALA A 45 3.218 -0.950 -9.366 1.00 0.00 C ATOM 640 O ALA A 45 4.384 -0.577 -9.492 1.00 0.00 O ATOM 641 CB ALA A 45 2.311 1.355 -9.176 1.00 0.00 C ATOM 0 H ALA A 45 3.147 0.493 -6.872 1.00 0.00 H new ATOM 0 HA ALA A 45 1.197 -0.448 -8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.160 1.360 -10.255 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.553 1.977 -8.700 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.301 1.750 -8.946 1.00 0.00 H new ATOM 647 N MET A 46 2.782 -2.107 -9.842 1.00 0.00 N ATOM 648 CA MET A 46 3.676 -3.013 -10.548 1.00 0.00 C ATOM 649 C MET A 46 4.087 -2.420 -11.889 1.00 0.00 C ATOM 650 O MET A 46 3.558 -2.799 -12.935 1.00 0.00 O ATOM 651 CB MET A 46 3.015 -4.375 -10.757 1.00 0.00 C ATOM 652 CG MET A 46 3.593 -5.465 -9.874 1.00 0.00 C ATOM 653 SD MET A 46 5.223 -6.008 -10.420 1.00 0.00 S ATOM 654 CE MET A 46 4.857 -6.532 -12.093 1.00 0.00 C ATOM 0 H MET A 46 1.822 -2.439 -9.753 1.00 0.00 H new ATOM 0 HA MET A 46 4.568 -3.152 -9.937 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.947 -4.286 -10.560 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.124 -4.667 -11.801 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.660 -5.100 -8.849 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.914 -6.318 -9.865 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.380 -7.465 -12.305 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.783 -6.686 -12.199 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.185 -5.765 -12.794 1.00 0.00 H new ATOM 664 N GLY A 47 5.038 -1.490 -11.841 1.00 0.00 N ATOM 665 CA GLY A 47 5.521 -0.852 -13.051 1.00 0.00 C ATOM 666 C GLY A 47 5.008 0.566 -13.227 1.00 0.00 C ATOM 667 O GLY A 47 4.295 0.859 -14.186 1.00 0.00 O ATOM 0 H GLY A 47 5.483 -1.167 -10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.611 -0.838 -13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.222 -1.449 -13.913 1.00 0.00 H new ATOM 671 N GLN A 48 5.391 1.452 -12.311 1.00 0.00 N ATOM 672 CA GLN A 48 4.987 2.854 -12.379 1.00 0.00 C ATOM 673 C GLN A 48 6.213 3.739 -12.554 1.00 0.00 C ATOM 674 O GLN A 48 6.443 4.299 -13.626 1.00 0.00 O ATOM 675 CB GLN A 48 4.227 3.268 -11.116 1.00 0.00 C ATOM 676 CG GLN A 48 2.763 3.594 -11.368 1.00 0.00 C ATOM 677 CD GLN A 48 2.544 5.048 -11.739 1.00 0.00 C ATOM 678 OE1 GLN A 48 1.921 5.803 -10.994 1.00 0.00 O ATOM 679 NE2 GLN A 48 3.057 5.447 -12.897 1.00 0.00 N ATOM 0 H GLN A 48 5.982 1.223 -11.511 1.00 0.00 H new ATOM 0 HA GLN A 48 4.324 2.976 -13.235 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.291 2.464 -10.383 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.715 4.139 -10.677 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.386 2.958 -12.169 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.184 3.360 -10.475 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.567 4.786 -13.484 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.941 6.414 -13.200 1.00 0.00 H new ATOM 688 N GLY A 49 7.004 3.848 -11.492 1.00 0.00 N ATOM 689 CA GLY A 49 8.210 4.653 -11.542 1.00 0.00 C ATOM 690 C GLY A 49 9.442 3.809 -11.792 1.00 0.00 C ATOM 691 O GLY A 49 10.183 4.047 -12.746 1.00 0.00 O ATOM 0 H GLY A 49 6.831 3.392 -10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.116 5.400 -12.330 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.325 5.194 -10.603 1.00 0.00 H new ATOM 695 N ARG A 50 9.654 2.815 -10.934 1.00 0.00 N ATOM 696 CA ARG A 50 10.797 1.917 -11.061 1.00 0.00 C ATOM 697 C ARG A 50 10.779 0.858 -9.960 1.00 0.00 C ATOM 698 O ARG A 50 11.608 0.874 -9.050 1.00 0.00 O ATOM 699 CB ARG A 50 12.109 2.710 -11.015 1.00 0.00 C ATOM 700 CG ARG A 50 12.411 3.332 -9.661 1.00 0.00 C ATOM 701 CD ARG A 50 13.725 2.822 -9.090 1.00 0.00 C ATOM 702 NE ARG A 50 14.828 2.967 -10.039 1.00 0.00 N ATOM 703 CZ ARG A 50 15.318 1.970 -10.779 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.801 0.751 -10.696 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.327 2.198 -11.608 1.00 0.00 N ATOM 0 H ARG A 50 9.046 2.611 -10.141 1.00 0.00 H new ATOM 0 HA ARG A 50 10.728 1.412 -12.024 1.00 0.00 H new ATOM 0 HB2 ARG A 50 12.931 2.049 -11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.070 3.500 -11.765 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.453 4.417 -9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.601 3.107 -8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.959 3.368 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.618 1.772 -8.816 1.00 0.00 H new ATOM 0 HE ARG A 50 15.250 3.890 -10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.022 0.569 -10.063 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.182 -0.004 -11.266 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.727 3.134 -11.679 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.703 1.438 -12.175 1.00 0.00 H new ATOM 719 N MET A 51 9.823 -0.062 -10.046 1.00 0.00 N ATOM 720 CA MET A 51 9.693 -1.126 -9.052 1.00 0.00 C ATOM 721 C MET A 51 11.035 -1.803 -8.789 1.00 0.00 C ATOM 722 O MET A 51 11.591 -2.467 -9.664 1.00 0.00 O ATOM 723 CB MET A 51 8.672 -2.167 -9.512 1.00 0.00 C ATOM 724 CG MET A 51 7.965 -2.867 -8.364 1.00 0.00 C ATOM 725 SD MET A 51 6.321 -2.197 -8.046 1.00 0.00 S ATOM 726 CE MET A 51 6.703 -0.467 -7.787 1.00 0.00 C ATOM 0 H MET A 51 9.128 -0.094 -10.792 1.00 0.00 H new ATOM 0 HA MET A 51 9.348 -0.671 -8.124 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.929 -1.681 -10.145 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.176 -2.912 -10.127 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.882 -3.930 -8.588 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.570 -2.778 -7.462 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.782 0.084 -7.596 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.370 -0.366 -6.931 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.189 -0.065 -8.676 1.00 0.00 H new ATOM 736 N ILE A 52 11.549 -1.630 -7.576 1.00 0.00 N ATOM 737 CA ILE A 52 12.824 -2.230 -7.198 1.00 0.00 C ATOM 738 C ILE A 52 12.707 -3.750 -7.109 1.00 0.00 C ATOM 739 O ILE A 52 11.613 -4.285 -6.939 1.00 0.00 O ATOM 740 CB ILE A 52 13.360 -1.683 -5.854 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.217 -1.316 -4.902 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.255 -0.478 -6.099 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.670 -1.074 -3.479 1.00 0.00 C ATOM 0 H ILE A 52 11.104 -1.081 -6.840 1.00 0.00 H new ATOM 0 HA ILE A 52 13.532 -1.960 -7.981 1.00 0.00 H new ATOM 0 HB ILE A 52 13.945 -2.471 -5.380 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.719 -0.420 -5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.478 -2.117 -4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.627 -0.101 -5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.097 -0.771 -6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.684 0.303 -6.600 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.809 -0.819 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.142 -1.976 -3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.386 -0.253 -3.460 1.00 0.00 H new ATOM 755 N PRO A 53 13.842 -4.464 -7.226 1.00 0.00 N ATOM 756 CA PRO A 53 13.872 -5.932 -7.162 1.00 0.00 C ATOM 757 C PRO A 53 13.211 -6.485 -5.901 1.00 0.00 C ATOM 758 O PRO A 53 12.850 -7.661 -5.847 1.00 0.00 O ATOM 759 CB PRO A 53 15.372 -6.271 -7.168 1.00 0.00 C ATOM 760 CG PRO A 53 16.077 -4.984 -6.897 1.00 0.00 C ATOM 761 CD PRO A 53 15.183 -3.902 -7.427 1.00 0.00 C ATOM 0 HA PRO A 53 13.317 -6.375 -7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.608 -7.015 -6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.675 -6.689 -8.128 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.255 -4.854 -5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.050 -4.961 -7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.315 -2.966 -6.885 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.381 -3.692 -8.478 1.00 0.00 H new ATOM 769 N GLY A 54 13.068 -5.637 -4.886 1.00 0.00 N ATOM 770 CA GLY A 54 12.464 -6.064 -3.637 1.00 0.00 C ATOM 771 C GLY A 54 10.954 -6.175 -3.707 1.00 0.00 C ATOM 772 O GLY A 54 10.391 -7.238 -3.443 1.00 0.00 O ATOM 0 H GLY A 54 13.360 -4.660 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.879 -7.031 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.733 -5.358 -2.851 1.00 0.00 H new ATOM 776 N PHE A 55 10.294 -5.077 -4.057 1.00 0.00 N ATOM 777 CA PHE A 55 8.849 -5.066 -4.154 1.00 0.00 C ATOM 778 C PHE A 55 8.393 -5.924 -5.327 1.00 0.00 C ATOM 779 O PHE A 55 7.459 -6.716 -5.205 1.00 0.00 O ATOM 780 CB PHE A 55 8.329 -3.637 -4.328 1.00 0.00 C ATOM 781 CG PHE A 55 8.218 -2.837 -3.055 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.377 -3.237 -2.025 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.950 -1.669 -2.894 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.269 -2.493 -0.871 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.846 -0.921 -1.736 1.00 0.00 C ATOM 786 CZ PHE A 55 8.003 -1.334 -0.723 1.00 0.00 C ATOM 0 H PHE A 55 10.741 -4.187 -4.277 1.00 0.00 H new ATOM 0 HA PHE A 55 8.443 -5.477 -3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.989 -3.108 -5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.347 -3.679 -4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.800 -4.144 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.609 -1.340 -3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.609 -2.817 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.423 -0.015 -1.624 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.919 -0.751 0.182 1.00 0.00 H new ATOM 796 N GLU A 56 9.067 -5.773 -6.464 1.00 0.00 N ATOM 797 CA GLU A 56 8.726 -6.552 -7.646 1.00 0.00 C ATOM 798 C GLU A 56 8.914 -8.043 -7.374 1.00 0.00 C ATOM 799 O GLU A 56 8.481 -8.883 -8.159 1.00 0.00 O ATOM 800 CB GLU A 56 9.565 -6.108 -8.852 1.00 0.00 C ATOM 801 CG GLU A 56 10.996 -6.627 -8.850 1.00 0.00 C ATOM 802 CD GLU A 56 11.643 -6.550 -10.221 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.479 -7.506 -11.008 1.00 0.00 O ATOM 804 OE2 GLU A 56 12.312 -5.534 -10.505 1.00 0.00 O ATOM 0 H GLU A 56 9.844 -5.125 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 56 7.677 -6.376 -7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.072 -6.442 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.587 -5.019 -8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.588 -6.050 -8.139 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.004 -7.661 -8.505 1.00 0.00 H new ATOM 811 N ASP A 57 9.559 -8.369 -6.250 1.00 0.00 N ATOM 812 CA ASP A 57 9.787 -9.755 -5.872 1.00 0.00 C ATOM 813 C ASP A 57 8.542 -10.352 -5.225 1.00 0.00 C ATOM 814 O ASP A 57 7.818 -11.126 -5.853 1.00 0.00 O ATOM 815 CB ASP A 57 10.973 -9.862 -4.911 1.00 0.00 C ATOM 816 CG ASP A 57 12.070 -10.761 -5.447 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.502 -10.545 -6.599 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.493 -11.680 -4.717 1.00 0.00 O ATOM 0 H ASP A 57 9.931 -7.686 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 57 10.014 -10.317 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.379 -8.867 -4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.627 -10.247 -3.952 1.00 0.00 H new ATOM 823 N GLY A 58 8.306 -10.006 -3.957 1.00 0.00 N ATOM 824 CA GLY A 58 7.160 -10.542 -3.246 1.00 0.00 C ATOM 825 C GLY A 58 5.859 -9.990 -3.766 1.00 0.00 C ATOM 826 O GLY A 58 4.916 -10.735 -4.035 1.00 0.00 O ATOM 0 H GLY A 58 8.887 -9.367 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.154 -11.628 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.252 -10.311 -2.185 1.00 0.00 H new ATOM 830 N ILE A 59 5.813 -8.676 -3.907 1.00 0.00 N ATOM 831 CA ILE A 59 4.646 -7.979 -4.391 1.00 0.00 C ATOM 832 C ILE A 59 4.552 -8.051 -5.905 1.00 0.00 C ATOM 833 O ILE A 59 4.091 -7.120 -6.569 1.00 0.00 O ATOM 834 CB ILE A 59 4.696 -6.517 -3.920 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.104 -6.457 -2.443 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.350 -5.847 -4.129 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.593 -6.537 -2.206 1.00 0.00 C ATOM 0 H ILE A 59 6.596 -8.062 -3.685 1.00 0.00 H new ATOM 0 HA ILE A 59 3.756 -8.460 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 59 5.439 -5.981 -4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.729 -5.529 -2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.619 -7.275 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.402 -4.812 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.093 -5.870 -5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.587 -6.377 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.794 -6.488 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.975 -7.477 -2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.086 -5.704 -2.707 1.00 0.00 H new ATOM 849 N LYS A 60 4.922 -9.212 -6.417 1.00 0.00 N ATOM 850 CA LYS A 60 4.805 -9.475 -7.840 1.00 0.00 C ATOM 851 C LYS A 60 3.374 -9.110 -8.218 1.00 0.00 C ATOM 852 O LYS A 60 3.114 -8.359 -9.156 1.00 0.00 O ATOM 853 CB LYS A 60 5.080 -10.948 -8.158 1.00 0.00 C ATOM 854 CG LYS A 60 6.506 -11.228 -8.601 1.00 0.00 C ATOM 855 CD LYS A 60 6.585 -11.507 -10.093 1.00 0.00 C ATOM 856 CE LYS A 60 6.244 -12.955 -10.409 1.00 0.00 C ATOM 857 NZ LYS A 60 7.441 -13.728 -10.846 1.00 0.00 N ATOM 0 H LYS A 60 5.304 -9.984 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 60 5.534 -8.893 -8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.861 -11.547 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.396 -11.274 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.138 -10.374 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.898 -12.083 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.900 -10.847 -10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.589 -11.282 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.810 -13.426 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.486 -12.986 -11.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.165 -14.709 -11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.841 -13.294 -11.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.154 -13.720 -10.089 1.00 0.00 H new ATOM 871 N GLY A 61 2.463 -9.713 -7.465 1.00 0.00 N ATOM 872 CA GLY A 61 1.044 -9.544 -7.671 1.00 0.00 C ATOM 873 C GLY A 61 0.468 -10.821 -8.217 1.00 0.00 C ATOM 874 O GLY A 61 -0.336 -10.824 -9.151 1.00 0.00 O ATOM 0 H GLY A 61 2.697 -10.335 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.557 -9.284 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.860 -8.723 -8.364 1.00 0.00 H new ATOM 878 N HIS A 62 0.917 -11.921 -7.626 1.00 0.00 N ATOM 879 CA HIS A 62 0.484 -13.250 -8.053 1.00 0.00 C ATOM 880 C HIS A 62 -0.110 -14.064 -6.905 1.00 0.00 C ATOM 881 O HIS A 62 -0.349 -15.264 -7.051 1.00 0.00 O ATOM 882 CB HIS A 62 1.655 -14.018 -8.678 1.00 0.00 C ATOM 883 CG HIS A 62 2.906 -14.025 -7.848 1.00 0.00 C ATOM 884 ND1 HIS A 62 4.119 -14.478 -8.326 1.00 0.00 N ATOM 885 CD2 HIS A 62 3.134 -13.640 -6.568 1.00 0.00 C ATOM 886 CE1 HIS A 62 5.036 -14.374 -7.381 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.463 -13.867 -6.305 1.00 0.00 N ATOM 0 H HIS A 62 1.580 -11.922 -6.851 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.300 -13.105 -8.796 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.345 -15.048 -8.855 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.882 -13.582 -9.651 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.406 -13.231 -5.883 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.075 -14.655 -7.473 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.932 -13.675 -5.420 1.00 0.00 H new ATOM 895 N LYS A 63 -0.353 -13.419 -5.771 1.00 0.00 N ATOM 896 CA LYS A 63 -0.923 -14.110 -4.621 1.00 0.00 C ATOM 897 C LYS A 63 -1.836 -13.181 -3.823 1.00 0.00 C ATOM 898 O LYS A 63 -1.420 -12.586 -2.829 1.00 0.00 O ATOM 899 CB LYS A 63 0.192 -14.658 -3.733 1.00 0.00 C ATOM 900 CG LYS A 63 1.166 -15.560 -4.475 1.00 0.00 C ATOM 901 CD LYS A 63 2.255 -16.086 -3.553 1.00 0.00 C ATOM 902 CE LYS A 63 2.472 -17.580 -3.734 1.00 0.00 C ATOM 903 NZ LYS A 63 3.033 -17.904 -5.075 1.00 0.00 N ATOM 0 H LYS A 63 -0.166 -12.427 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.526 -14.943 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.741 -13.824 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.251 -15.215 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.624 -16.398 -4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.620 -15.007 -5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.187 -15.556 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.985 -15.880 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.148 -17.944 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.525 -18.103 -3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.165 -18.932 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.377 -17.580 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.949 -17.427 -5.193 1.00 0.00 H new ATOM 917 N ALA A 64 -3.087 -13.082 -4.262 1.00 0.00 N ATOM 918 CA ALA A 64 -4.080 -12.249 -3.594 1.00 0.00 C ATOM 919 C ALA A 64 -4.303 -12.686 -2.147 1.00 0.00 C ATOM 920 O ALA A 64 -5.057 -13.624 -1.885 1.00 0.00 O ATOM 921 CB ALA A 64 -5.391 -12.284 -4.363 1.00 0.00 C ATOM 0 H ALA A 64 -3.439 -13.573 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.700 -11.227 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.127 -11.659 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.230 -11.909 -5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.758 -13.309 -4.411 1.00 0.00 H new ATOM 927 N GLY A 65 -3.655 -12.001 -1.209 1.00 0.00 N ATOM 928 CA GLY A 65 -3.814 -12.339 0.197 1.00 0.00 C ATOM 929 C GLY A 65 -2.674 -13.186 0.728 1.00 0.00 C ATOM 930 O GLY A 65 -2.891 -14.109 1.514 1.00 0.00 O ATOM 0 H GLY A 65 -3.025 -11.221 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.882 -11.421 0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.753 -12.875 0.334 1.00 0.00 H new ATOM 934 N GLU A 66 -1.458 -12.879 0.287 1.00 0.00 N ATOM 935 CA GLU A 66 -0.276 -13.622 0.710 1.00 0.00 C ATOM 936 C GLU A 66 0.470 -12.912 1.836 1.00 0.00 C ATOM 937 O GLU A 66 0.239 -11.734 2.101 1.00 0.00 O ATOM 938 CB GLU A 66 0.672 -13.810 -0.474 1.00 0.00 C ATOM 939 CG GLU A 66 1.715 -14.892 -0.252 1.00 0.00 C ATOM 940 CD GLU A 66 1.092 -16.253 -0.004 1.00 0.00 C ATOM 941 OE1 GLU A 66 0.783 -16.954 -0.990 1.00 0.00 O ATOM 942 OE2 GLU A 66 0.909 -16.615 1.177 1.00 0.00 O ATOM 0 H GLU A 66 -1.265 -12.119 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.615 -14.589 1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.088 -14.056 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.177 -12.866 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.368 -14.948 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.340 -14.621 0.599 1.00 0.00 H new ATOM 949 N GLU A 67 1.383 -13.642 2.473 1.00 0.00 N ATOM 950 CA GLU A 67 2.204 -13.098 3.550 1.00 0.00 C ATOM 951 C GLU A 67 3.666 -13.491 3.331 1.00 0.00 C ATOM 952 O GLU A 67 4.055 -14.634 3.581 1.00 0.00 O ATOM 953 CB GLU A 67 1.719 -13.598 4.912 1.00 0.00 C ATOM 954 CG GLU A 67 2.492 -13.004 6.077 1.00 0.00 C ATOM 955 CD GLU A 67 1.845 -13.291 7.416 1.00 0.00 C ATOM 956 OE1 GLU A 67 0.618 -13.094 7.538 1.00 0.00 O ATOM 957 OE2 GLU A 67 2.566 -13.711 8.346 1.00 0.00 O ATOM 0 H GLU A 67 1.573 -14.621 2.258 1.00 0.00 H new ATOM 0 HA GLU A 67 2.117 -12.011 3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.662 -13.357 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.804 -14.684 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.506 -13.403 6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.573 -11.926 5.941 1.00 0.00 H new ATOM 964 N PHE A 68 4.461 -12.548 2.831 1.00 0.00 N ATOM 965 CA PHE A 68 5.874 -12.799 2.533 1.00 0.00 C ATOM 966 C PHE A 68 6.761 -11.658 3.023 1.00 0.00 C ATOM 967 O PHE A 68 6.276 -10.590 3.381 1.00 0.00 O ATOM 968 CB PHE A 68 6.058 -12.969 1.033 1.00 0.00 C ATOM 969 CG PHE A 68 5.431 -11.853 0.270 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.104 -10.658 0.102 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.160 -11.990 -0.251 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.517 -9.611 -0.585 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.565 -10.954 -0.934 1.00 0.00 C ATOM 974 CZ PHE A 68 4.242 -9.760 -1.104 1.00 0.00 C ATOM 0 H PHE A 68 4.152 -11.599 2.622 1.00 0.00 H new ATOM 0 HA PHE A 68 6.169 -13.710 3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.122 -13.016 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.620 -13.916 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.097 -10.541 0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.627 -12.920 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.051 -8.681 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.570 -11.073 -1.337 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.777 -8.946 -1.640 1.00 0.00 H new ATOM 984 N THR A 69 8.067 -11.891 3.037 1.00 0.00 N ATOM 985 CA THR A 69 9.016 -10.876 3.480 1.00 0.00 C ATOM 986 C THR A 69 10.105 -10.643 2.439 1.00 0.00 C ATOM 987 O THR A 69 10.715 -11.594 1.952 1.00 0.00 O ATOM 988 CB THR A 69 9.654 -11.303 4.805 1.00 0.00 C ATOM 989 OG1 THR A 69 8.661 -11.606 5.765 1.00 0.00 O ATOM 990 CG2 THR A 69 10.568 -10.253 5.402 1.00 0.00 C ATOM 0 H THR A 69 8.493 -12.771 2.748 1.00 0.00 H new ATOM 0 HA THR A 69 8.470 -9.942 3.618 1.00 0.00 H new ATOM 0 HB THR A 69 10.252 -12.182 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.089 -11.878 6.604 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.985 -10.623 6.339 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.378 -10.037 4.705 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.000 -9.342 5.592 1.00 0.00 H new ATOM 998 N ILE A 70 10.370 -9.374 2.112 1.00 0.00 N ATOM 999 CA ILE A 70 11.415 -9.064 1.144 1.00 0.00 C ATOM 1000 C ILE A 70 12.224 -7.854 1.565 1.00 0.00 C ATOM 1001 O ILE A 70 11.884 -7.151 2.516 1.00 0.00 O ATOM 1002 CB ILE A 70 10.893 -8.816 -0.293 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.391 -8.530 -0.334 1.00 0.00 C ATOM 1004 CG2 ILE A 70 11.216 -10.006 -1.183 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.940 -7.365 0.522 1.00 0.00 C ATOM 0 H ILE A 70 9.884 -8.564 2.496 1.00 0.00 H new ATOM 0 HA ILE A 70 12.038 -9.958 1.127 1.00 0.00 H new ATOM 0 HB ILE A 70 11.402 -7.927 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 70 9.101 -8.337 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.857 -9.425 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.844 -9.819 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 70 12.296 -10.153 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.741 -10.901 -0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.861 -7.240 0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.193 -7.560 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.441 -6.455 0.191 1.00 0.00 H new ATOM 1017 N ASP A 71 13.284 -7.614 0.818 1.00 0.00 N ATOM 1018 CA ASP A 71 14.156 -6.479 1.058 1.00 0.00 C ATOM 1019 C ASP A 71 13.724 -5.328 0.170 1.00 0.00 C ATOM 1020 O ASP A 71 13.207 -5.549 -0.920 1.00 0.00 O ATOM 1021 CB ASP A 71 15.610 -6.846 0.757 1.00 0.00 C ATOM 1022 CG ASP A 71 15.782 -7.416 -0.638 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.408 -8.588 -0.850 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.288 -6.689 -1.518 1.00 0.00 O ATOM 0 H ASP A 71 13.565 -8.198 0.030 1.00 0.00 H new ATOM 0 HA ASP A 71 14.084 -6.188 2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.236 -5.960 0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.958 -7.574 1.490 1.00 0.00 H new ATOM 1029 N VAL A 72 13.947 -4.105 0.616 1.00 0.00 N ATOM 1030 CA VAL A 72 13.586 -2.943 -0.185 1.00 0.00 C ATOM 1031 C VAL A 72 14.579 -1.816 0.024 1.00 0.00 C ATOM 1032 O VAL A 72 14.914 -1.470 1.155 1.00 0.00 O ATOM 1033 CB VAL A 72 12.168 -2.433 0.136 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.120 -3.252 -0.606 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.920 -2.451 1.634 1.00 0.00 C ATOM 0 H VAL A 72 14.371 -3.889 1.518 1.00 0.00 H new ATOM 0 HA VAL A 72 13.607 -3.264 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 72 12.087 -1.401 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.126 -2.875 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.288 -3.171 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.195 -4.297 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.913 -2.087 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.021 -3.470 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.647 -1.809 2.131 1.00 0.00 H new ATOM 1045 N THR A 73 15.044 -1.231 -1.071 1.00 0.00 N ATOM 1046 CA THR A 73 15.994 -0.130 -1.014 1.00 0.00 C ATOM 1047 C THR A 73 15.785 0.763 -2.227 1.00 0.00 C ATOM 1048 O THR A 73 15.853 0.298 -3.365 1.00 0.00 O ATOM 1049 CB THR A 73 17.433 -0.659 -0.983 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.782 -1.099 0.317 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.464 0.366 -1.413 1.00 0.00 C ATOM 0 H THR A 73 14.776 -1.504 -2.017 1.00 0.00 H new ATOM 0 HA THR A 73 15.829 0.444 -0.102 1.00 0.00 H new ATOM 0 HB THR A 73 17.447 -1.483 -1.696 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.967 -1.281 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.459 -0.077 -1.367 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.256 0.685 -2.434 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.419 1.228 -0.748 1.00 0.00 H new ATOM 1059 N PHE A 74 15.517 2.037 -1.991 1.00 0.00 N ATOM 1060 CA PHE A 74 15.283 2.972 -3.082 1.00 0.00 C ATOM 1061 C PHE A 74 16.594 3.550 -3.625 1.00 0.00 C ATOM 1062 O PHE A 74 17.427 4.042 -2.864 1.00 0.00 O ATOM 1063 CB PHE A 74 14.348 4.079 -2.611 1.00 0.00 C ATOM 1064 CG PHE A 74 12.948 3.586 -2.382 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.692 2.560 -1.480 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.891 4.136 -3.079 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.402 2.099 -1.284 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.599 3.684 -2.888 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.354 2.664 -1.989 1.00 0.00 C ATOM 0 H PHE A 74 15.456 2.447 -1.059 1.00 0.00 H new ATOM 0 HA PHE A 74 14.813 2.433 -3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.735 4.509 -1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.332 4.878 -3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.508 2.118 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.077 4.932 -3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.214 1.300 -0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.783 4.127 -3.440 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.346 2.308 -1.837 1.00 0.00 H new ATOM 1079 N PRO A 75 16.797 3.484 -4.959 1.00 0.00 N ATOM 1080 CA PRO A 75 18.018 3.990 -5.605 1.00 0.00 C ATOM 1081 C PRO A 75 18.174 5.502 -5.501 1.00 0.00 C ATOM 1082 O PRO A 75 17.338 6.189 -4.913 1.00 0.00 O ATOM 1083 CB PRO A 75 17.847 3.592 -7.074 1.00 0.00 C ATOM 1084 CG PRO A 75 16.382 3.398 -7.255 1.00 0.00 C ATOM 1085 CD PRO A 75 15.862 2.900 -5.939 1.00 0.00 C ATOM 0 HA PRO A 75 18.907 3.579 -5.127 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.227 4.367 -7.739 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.397 2.679 -7.302 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.897 4.333 -7.537 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.179 2.681 -8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.838 3.228 -5.762 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.861 1.811 -5.894 1.00 0.00 H new ATOM 1093 N GLU A 76 19.257 6.010 -6.083 1.00 0.00 N ATOM 1094 CA GLU A 76 19.542 7.440 -6.073 1.00 0.00 C ATOM 1095 C GLU A 76 18.681 8.193 -7.089 1.00 0.00 C ATOM 1096 O GLU A 76 18.669 9.424 -7.106 1.00 0.00 O ATOM 1097 CB GLU A 76 21.026 7.686 -6.353 1.00 0.00 C ATOM 1098 CG GLU A 76 21.772 8.283 -5.170 1.00 0.00 C ATOM 1099 CD GLU A 76 22.832 7.351 -4.615 1.00 0.00 C ATOM 1100 OE1 GLU A 76 22.478 6.466 -3.808 1.00 0.00 O ATOM 1101 OE2 GLU A 76 24.013 7.508 -4.985 1.00 0.00 O ATOM 0 H GLU A 76 19.955 5.448 -6.570 1.00 0.00 H new ATOM 0 HA GLU A 76 19.296 7.820 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.497 6.743 -6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.121 8.355 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 76 22.241 9.218 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.059 8.526 -4.382 1.00 0.00 H new ATOM 1108 N GLU A 77 17.968 7.454 -7.937 1.00 0.00 N ATOM 1109 CA GLU A 77 17.117 8.069 -8.950 1.00 0.00 C ATOM 1110 C GLU A 77 15.692 8.249 -8.431 1.00 0.00 C ATOM 1111 O GLU A 77 14.998 9.191 -8.813 1.00 0.00 O ATOM 1112 CB GLU A 77 17.115 7.231 -10.230 1.00 0.00 C ATOM 1113 CG GLU A 77 16.959 5.741 -9.984 1.00 0.00 C ATOM 1114 CD GLU A 77 18.256 4.980 -10.174 1.00 0.00 C ATOM 1115 OE1 GLU A 77 19.295 5.436 -9.650 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.234 3.926 -10.844 1.00 0.00 O ATOM 0 H GLU A 77 17.963 6.434 -7.942 1.00 0.00 H new ATOM 0 HA GLU A 77 17.523 9.054 -9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.304 7.571 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.046 7.406 -10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.593 5.580 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.205 5.342 -10.662 1.00 0.00 H new ATOM 1123 N TYR A 78 15.265 7.350 -7.547 1.00 0.00 N ATOM 1124 CA TYR A 78 13.928 7.428 -6.968 1.00 0.00 C ATOM 1125 C TYR A 78 13.821 8.662 -6.079 1.00 0.00 C ATOM 1126 O TYR A 78 13.122 9.622 -6.407 1.00 0.00 O ATOM 1127 CB TYR A 78 13.622 6.168 -6.151 1.00 0.00 C ATOM 1128 CG TYR A 78 12.144 5.881 -5.999 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.346 6.640 -5.148 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.546 4.847 -6.709 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.998 6.375 -5.011 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.196 4.579 -6.577 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.427 5.345 -5.727 1.00 0.00 C ATOM 1134 OH TYR A 78 8.081 5.081 -5.592 1.00 0.00 O ATOM 0 H TYR A 78 15.824 6.563 -7.218 1.00 0.00 H new ATOM 0 HA TYR A 78 13.201 7.502 -7.777 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.101 5.313 -6.627 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.066 6.272 -5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.788 7.449 -4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.145 4.243 -7.374 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.393 6.973 -4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.746 3.773 -7.137 1.00 0.00 H new ATOM 0 HH TYR A 78 7.837 4.325 -6.166 1.00 0.00 H new ATOM 1144 N HIS A 79 14.542 8.623 -4.963 1.00 0.00 N ATOM 1145 CA HIS A 79 14.579 9.723 -4.001 1.00 0.00 C ATOM 1146 C HIS A 79 13.246 10.465 -3.881 1.00 0.00 C ATOM 1147 O HIS A 79 13.109 11.590 -4.361 1.00 0.00 O ATOM 1148 CB HIS A 79 15.690 10.701 -4.380 1.00 0.00 C ATOM 1149 CG HIS A 79 17.047 10.222 -3.971 1.00 0.00 C ATOM 1150 ND1 HIS A 79 18.166 11.028 -3.960 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.459 9.005 -3.542 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.207 10.331 -3.542 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.804 9.101 -3.280 1.00 0.00 N ATOM 0 H HIS A 79 15.120 7.825 -4.698 1.00 0.00 H new ATOM 0 HA HIS A 79 14.779 9.283 -3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.675 10.860 -5.458 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.494 11.666 -3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.845 8.124 -3.427 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.215 10.703 -3.433 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.396 8.344 -2.938 1.00 0.00 H new ATOM 1161 N ALA A 80 12.273 9.839 -3.221 1.00 0.00 N ATOM 1162 CA ALA A 80 10.966 10.456 -3.023 1.00 0.00 C ATOM 1163 C ALA A 80 10.986 11.374 -1.802 1.00 0.00 C ATOM 1164 O ALA A 80 11.708 11.127 -0.838 1.00 0.00 O ATOM 1165 CB ALA A 80 9.888 9.396 -2.875 1.00 0.00 C ATOM 0 H ALA A 80 12.366 8.908 -2.816 1.00 0.00 H new ATOM 0 HA ALA A 80 10.736 11.057 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.921 9.878 -2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.855 8.783 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.113 8.766 -2.015 1.00 0.00 H new ATOM 1171 N GLU A 81 10.201 12.439 -1.857 1.00 0.00 N ATOM 1172 CA GLU A 81 10.141 13.410 -0.767 1.00 0.00 C ATOM 1173 C GLU A 81 9.879 12.762 0.596 1.00 0.00 C ATOM 1174 O GLU A 81 10.249 13.322 1.629 1.00 0.00 O ATOM 1175 CB GLU A 81 9.050 14.447 -1.049 1.00 0.00 C ATOM 1176 CG GLU A 81 9.151 15.089 -2.426 1.00 0.00 C ATOM 1177 CD GLU A 81 8.220 14.449 -3.437 1.00 0.00 C ATOM 1178 OE1 GLU A 81 7.187 13.884 -3.021 1.00 0.00 O ATOM 1179 OE2 GLU A 81 8.525 14.514 -4.647 1.00 0.00 O ATOM 0 H GLU A 81 9.593 12.656 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 81 11.120 13.887 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.075 13.970 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.100 15.228 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.919 16.151 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.178 15.013 -2.784 1.00 0.00 H new ATOM 1186 N ASN A 82 9.209 11.611 0.612 1.00 0.00 N ATOM 1187 CA ASN A 82 8.875 10.952 1.877 1.00 0.00 C ATOM 1188 C ASN A 82 9.883 9.879 2.308 1.00 0.00 C ATOM 1189 O ASN A 82 10.132 9.719 3.503 1.00 0.00 O ATOM 1190 CB ASN A 82 7.473 10.341 1.798 1.00 0.00 C ATOM 1191 CG ASN A 82 7.297 9.436 0.595 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.630 9.796 -0.377 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.892 8.252 0.655 1.00 0.00 N ATOM 0 H ASN A 82 8.890 11.120 -0.223 1.00 0.00 H new ATOM 0 HA ASN A 82 8.912 11.731 2.639 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.277 9.772 2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.734 11.141 1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.807 7.598 -0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.435 7.995 1.480 1.00 0.00 H new ATOM 1200 N LEU A 83 10.438 9.123 1.363 1.00 0.00 N ATOM 1201 CA LEU A 83 11.381 8.056 1.724 1.00 0.00 C ATOM 1202 C LEU A 83 12.623 8.023 0.838 1.00 0.00 C ATOM 1203 O LEU A 83 13.336 7.025 0.801 1.00 0.00 O ATOM 1204 CB LEU A 83 10.670 6.695 1.692 1.00 0.00 C ATOM 1205 CG LEU A 83 10.501 6.022 0.315 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.388 7.024 -0.824 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.643 5.067 0.054 1.00 0.00 C ATOM 0 H LEU A 83 10.260 9.221 0.363 1.00 0.00 H new ATOM 0 HA LEU A 83 11.728 8.272 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.221 6.011 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.680 6.820 2.131 1.00 0.00 H new ATOM 0 HG LEU A 83 9.561 5.471 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.271 6.491 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.522 7.665 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.290 7.635 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.510 4.599 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.586 5.614 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.658 4.298 0.826 1.00 0.00 H new ATOM 1219 N LYS A 84 12.880 9.109 0.128 1.00 0.00 N ATOM 1220 CA LYS A 84 14.041 9.196 -0.769 1.00 0.00 C ATOM 1221 C LYS A 84 15.244 8.381 -0.285 1.00 0.00 C ATOM 1222 O LYS A 84 15.782 8.619 0.797 1.00 0.00 O ATOM 1223 CB LYS A 84 14.465 10.653 -0.955 1.00 0.00 C ATOM 1224 CG LYS A 84 14.624 11.414 0.348 1.00 0.00 C ATOM 1225 CD LYS A 84 14.463 12.912 0.142 1.00 0.00 C ATOM 1226 CE LYS A 84 13.314 13.465 0.968 1.00 0.00 C ATOM 1227 NZ LYS A 84 13.614 13.442 2.426 1.00 0.00 N ATOM 0 H LYS A 84 12.303 9.950 0.150 1.00 0.00 H new ATOM 0 HA LYS A 84 13.719 8.769 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.409 10.681 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.726 11.161 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.885 11.063 1.068 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.606 11.208 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.388 13.420 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.287 13.119 -0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.104 14.488 0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.414 12.882 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.805 13.828 2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.790 12.463 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.458 14.020 2.616 1.00 0.00 H new ATOM 1241 N GLY A 85 15.669 7.433 -1.120 1.00 0.00 N ATOM 1242 CA GLY A 85 16.819 6.598 -0.807 1.00 0.00 C ATOM 1243 C GLY A 85 16.717 5.892 0.532 1.00 0.00 C ATOM 1244 O GLY A 85 17.618 5.998 1.363 1.00 0.00 O ATOM 0 H GLY A 85 15.231 7.227 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.939 5.852 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.717 7.215 -0.814 1.00 0.00 H new ATOM 1248 N LYS A 86 15.627 5.161 0.743 1.00 0.00 N ATOM 1249 CA LYS A 86 15.440 4.435 1.994 1.00 0.00 C ATOM 1250 C LYS A 86 15.802 2.959 1.852 1.00 0.00 C ATOM 1251 O LYS A 86 14.956 2.135 1.508 1.00 0.00 O ATOM 1252 CB LYS A 86 14.000 4.569 2.489 1.00 0.00 C ATOM 1253 CG LYS A 86 13.880 4.629 4.004 1.00 0.00 C ATOM 1254 CD LYS A 86 14.451 5.924 4.568 1.00 0.00 C ATOM 1255 CE LYS A 86 13.605 7.131 4.189 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.971 7.763 5.380 1.00 0.00 N ATOM 0 H LYS A 86 14.867 5.056 0.071 1.00 0.00 H new ATOM 0 HA LYS A 86 16.113 4.881 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.560 5.470 2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.418 3.725 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.832 4.540 4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.403 3.780 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.513 5.851 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.467 6.063 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.228 7.865 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.831 6.825 3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.404 8.581 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.356 7.071 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.710 8.079 6.040 1.00 0.00 H new ATOM 1270 N ALA A 87 17.054 2.623 2.146 1.00 0.00 N ATOM 1271 CA ALA A 87 17.504 1.237 2.081 1.00 0.00 C ATOM 1272 C ALA A 87 17.017 0.499 3.323 1.00 0.00 C ATOM 1273 O ALA A 87 17.587 0.650 4.405 1.00 0.00 O ATOM 1274 CB ALA A 87 19.022 1.176 1.966 1.00 0.00 C ATOM 0 H ALA A 87 17.773 3.289 2.431 1.00 0.00 H new ATOM 0 HA ALA A 87 17.088 0.756 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.342 0.135 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.339 1.695 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.472 1.655 2.836 1.00 0.00 H new ATOM 1280 N ALA A 88 15.928 -0.257 3.184 1.00 0.00 N ATOM 1281 CA ALA A 88 15.350 -0.957 4.330 1.00 0.00 C ATOM 1282 C ALA A 88 14.976 -2.409 4.048 1.00 0.00 C ATOM 1283 O ALA A 88 15.250 -2.963 2.984 1.00 0.00 O ATOM 1284 CB ALA A 88 14.119 -0.194 4.810 1.00 0.00 C ATOM 0 H ALA A 88 15.435 -0.399 2.303 1.00 0.00 H new ATOM 0 HA ALA A 88 16.122 -0.989 5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.682 -0.710 5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.408 0.815 5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.387 -0.141 4.005 1.00 0.00 H new ATOM 1290 N LYS A 89 14.314 -2.993 5.040 1.00 0.00 N ATOM 1291 CA LYS A 89 13.828 -4.364 4.987 1.00 0.00 C ATOM 1292 C LYS A 89 12.347 -4.343 5.320 1.00 0.00 C ATOM 1293 O LYS A 89 11.943 -3.632 6.236 1.00 0.00 O ATOM 1294 CB LYS A 89 14.589 -5.246 5.979 1.00 0.00 C ATOM 1295 CG LYS A 89 15.414 -6.336 5.315 1.00 0.00 C ATOM 1296 CD LYS A 89 16.835 -5.868 5.043 1.00 0.00 C ATOM 1297 CE LYS A 89 17.609 -5.655 6.333 1.00 0.00 C ATOM 1298 NZ LYS A 89 18.647 -6.703 6.537 1.00 0.00 N ATOM 0 H LYS A 89 14.097 -2.519 5.917 1.00 0.00 H new ATOM 0 HA LYS A 89 13.987 -4.781 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.247 -4.618 6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.877 -5.707 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.436 -7.218 5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 89 14.941 -6.633 4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.350 -6.605 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.810 -4.938 4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.083 -4.674 6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.918 -5.659 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.153 -6.522 7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.193 -7.638 6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.321 -6.682 5.746 1.00 0.00 H new ATOM 1312 N PHE A 90 11.542 -5.131 4.616 1.00 0.00 N ATOM 1313 CA PHE A 90 10.102 -5.187 4.891 1.00 0.00 C ATOM 1314 C PHE A 90 9.575 -6.614 4.875 1.00 0.00 C ATOM 1315 O PHE A 90 10.109 -7.475 4.179 1.00 0.00 O ATOM 1316 CB PHE A 90 9.287 -4.431 3.833 1.00 0.00 C ATOM 1317 CG PHE A 90 9.501 -2.949 3.735 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.256 -2.254 4.657 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.905 -2.255 2.702 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.419 -0.884 4.549 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.056 -0.885 2.587 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.815 -0.200 3.512 1.00 0.00 C ATOM 0 H PHE A 90 11.853 -5.736 3.856 1.00 0.00 H new ATOM 0 HA PHE A 90 9.986 -4.735 5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.507 -4.870 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.230 -4.608 4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.725 -2.785 5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.313 -2.789 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.017 -0.351 5.274 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.581 -0.354 1.776 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.937 0.870 3.426 1.00 0.00 H new ATOM 1332 N ALA A 91 8.474 -6.837 5.586 1.00 0.00 N ATOM 1333 CA ALA A 91 7.805 -8.123 5.600 1.00 0.00 C ATOM 1334 C ALA A 91 6.383 -7.817 5.174 1.00 0.00 C ATOM 1335 O ALA A 91 5.617 -7.195 5.908 1.00 0.00 O ATOM 1336 CB ALA A 91 7.843 -8.752 6.987 1.00 0.00 C ATOM 0 H ALA A 91 8.025 -6.129 6.166 1.00 0.00 H new ATOM 0 HA ALA A 91 8.287 -8.844 4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.333 -9.715 6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.879 -8.897 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.344 -8.094 7.699 1.00 0.00 H new ATOM 1342 N ILE A 92 6.087 -8.144 3.925 1.00 0.00 N ATOM 1343 CA ILE A 92 4.815 -7.784 3.326 1.00 0.00 C ATOM 1344 C ILE A 92 3.790 -8.908 3.213 1.00 0.00 C ATOM 1345 O ILE A 92 4.106 -10.091 3.283 1.00 0.00 O ATOM 1346 CB ILE A 92 5.076 -7.215 1.918 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.180 -6.149 1.978 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.800 -6.662 1.311 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.317 -5.328 0.720 1.00 0.00 C ATOM 0 H ILE A 92 6.714 -8.659 3.307 1.00 0.00 H new ATOM 0 HA ILE A 92 4.373 -7.056 4.006 1.00 0.00 H new ATOM 0 HB ILE A 92 5.417 -8.023 1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 92 5.978 -5.480 2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.132 -6.639 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.011 -6.267 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.059 -7.458 1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.412 -5.864 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.118 -4.600 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.552 -5.984 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.380 -4.807 0.522 1.00 0.00 H new ATOM 1361 N ASN A 93 2.545 -8.487 3.004 1.00 0.00 N ATOM 1362 CA ASN A 93 1.416 -9.392 2.831 1.00 0.00 C ATOM 1363 C ASN A 93 0.551 -8.916 1.660 1.00 0.00 C ATOM 1364 O ASN A 93 -0.178 -7.931 1.782 1.00 0.00 O ATOM 1365 CB ASN A 93 0.563 -9.460 4.102 1.00 0.00 C ATOM 1366 CG ASN A 93 1.343 -9.908 5.322 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.555 -9.713 5.411 1.00 0.00 O ATOM 1368 ND2 ASN A 93 0.644 -10.510 6.277 1.00 0.00 N ATOM 0 H ASN A 93 2.291 -7.501 2.950 1.00 0.00 H new ATOM 0 HA ASN A 93 1.805 -10.389 2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.132 -8.478 4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.268 -10.146 3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.111 -10.831 7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.360 -10.651 6.162 1.00 0.00 H new ATOM 1375 N LEU A 94 0.640 -9.606 0.526 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.132 -9.231 -0.660 1.00 0.00 C ATOM 1377 C LEU A 94 -1.628 -9.428 -0.439 1.00 0.00 C ATOM 1378 O LEU A 94 -2.036 -10.278 0.349 1.00 0.00 O ATOM 1379 CB LEU A 94 0.319 -10.047 -1.871 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.090 -9.467 -3.221 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.582 -8.122 -3.442 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.261 -10.435 -4.342 1.00 0.00 C ATOM 0 H LEU A 94 1.236 -10.425 0.401 1.00 0.00 H new ATOM 0 HA LEU A 94 0.051 -8.173 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.405 -10.140 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.089 -11.054 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.170 -9.316 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.281 -7.720 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.283 -7.432 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.664 -8.249 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.037 -10.007 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.336 -10.615 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.264 -11.377 -4.187 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.444 -8.644 -1.146 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.891 -8.747 -1.022 1.00 0.00 C ATOM 1396 C LYS A 95 -4.581 -8.473 -2.364 1.00 0.00 C ATOM 1397 O LYS A 95 -4.563 -9.316 -3.259 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.407 -7.793 0.064 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.097 -8.246 1.484 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.320 -8.851 2.155 1.00 0.00 C ATOM 1401 CE LYS A 95 -4.940 -9.685 3.370 1.00 0.00 C ATOM 1402 NZ LYS A 95 -5.460 -9.099 4.635 1.00 0.00 N ATOM 0 H LYS A 95 -2.125 -7.935 -1.806 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.134 -9.767 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.970 -6.807 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.486 -7.685 -0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.291 -8.979 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.742 -7.397 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.000 -8.055 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.857 -9.474 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.330 -10.696 3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.855 -9.767 3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.178 -9.698 5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.068 -8.144 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.498 -9.044 4.591 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.232 -7.319 -2.483 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.960 -6.989 -3.699 1.00 0.00 C ATOM 1418 C LYS A 96 -5.030 -6.632 -4.850 1.00 0.00 C ATOM 1419 O LYS A 96 -4.508 -5.520 -4.920 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.920 -5.827 -3.443 1.00 0.00 C ATOM 1421 CG LYS A 96 -7.814 -6.027 -2.229 1.00 0.00 C ATOM 1422 CD LYS A 96 -7.968 -4.744 -1.427 1.00 0.00 C ATOM 1423 CE LYS A 96 -7.728 -4.982 0.055 1.00 0.00 C ATOM 1424 NZ LYS A 96 -8.578 -4.105 0.907 1.00 0.00 N ATOM 0 H LYS A 96 -5.269 -6.603 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.520 -7.879 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.342 -4.913 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.546 -5.684 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.795 -6.374 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.395 -6.806 -1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.265 -3.997 -1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.969 -4.339 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.933 -6.026 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.678 -4.803 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.382 -4.300 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.365 -3.108 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.581 -4.293 0.707 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.858 -7.574 -5.772 1.00 0.00 N ATOM 1439 CA VAL A 97 -4.031 -7.372 -6.953 1.00 0.00 C ATOM 1440 C VAL A 97 -4.930 -7.282 -8.184 1.00 0.00 C ATOM 1441 O VAL A 97 -5.650 -8.228 -8.505 1.00 0.00 O ATOM 1442 CB VAL A 97 -3.018 -8.530 -7.131 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.680 -9.881 -6.872 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.384 -8.501 -8.518 1.00 0.00 C ATOM 0 H VAL A 97 -5.288 -8.497 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.469 -6.446 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.226 -8.391 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.947 -10.677 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.065 -9.908 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.501 -10.024 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.678 -9.326 -8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.161 -8.600 -9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.859 -7.556 -8.658 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.909 -6.137 -8.858 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.748 -5.939 -10.034 1.00 0.00 C ATOM 1456 C GLU A 98 -5.001 -5.187 -11.137 1.00 0.00 C ATOM 1457 O GLU A 98 -3.821 -4.876 -10.993 1.00 0.00 O ATOM 1458 CB GLU A 98 -7.015 -5.185 -9.637 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.720 -5.779 -8.429 1.00 0.00 C ATOM 1460 CD GLU A 98 -7.422 -5.023 -7.148 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -6.265 -4.584 -6.973 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -8.344 -4.870 -6.320 1.00 0.00 O ATOM 0 H GLU A 98 -4.325 -5.338 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.017 -6.917 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.759 -4.147 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.703 -5.177 -10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.796 -5.779 -8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.417 -6.819 -8.311 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.692 -4.915 -12.245 1.00 0.00 N ATOM 1470 CA GLU A 99 -5.083 -4.217 -13.378 1.00 0.00 C ATOM 1471 C GLU A 99 -5.545 -2.766 -13.473 1.00 0.00 C ATOM 1472 O GLU A 99 -6.500 -2.458 -14.182 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.401 -4.946 -14.686 1.00 0.00 C ATOM 1474 CG GLU A 99 -5.184 -6.450 -14.620 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.720 -7.171 -15.842 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.655 -6.593 -16.949 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -6.206 -8.312 -15.694 1.00 0.00 O ATOM 0 H GLU A 99 -6.671 -5.167 -12.382 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.006 -4.215 -13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -6.438 -4.750 -14.957 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.780 -4.533 -15.481 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.118 -6.655 -14.520 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -5.670 -6.845 -13.728 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.849 -1.878 -12.768 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.183 -0.457 -12.780 1.00 0.00 C ATOM 1486 C ARG A 100 -4.984 0.148 -14.165 1.00 0.00 C ATOM 1487 O ARG A 100 -3.996 -0.131 -14.846 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.341 0.304 -11.752 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.853 0.326 -12.072 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.293 1.743 -12.054 1.00 0.00 C ATOM 1491 NE ARG A 100 -2.726 2.541 -13.198 1.00 0.00 N ATOM 1492 CZ ARG A 100 -2.371 3.813 -13.380 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -1.573 4.416 -12.506 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -2.809 4.482 -14.437 1.00 0.00 N ATOM 0 H ARG A 100 -4.050 -2.118 -12.181 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.236 -0.365 -12.515 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.704 1.330 -11.686 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.486 -0.149 -10.771 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.316 -0.287 -11.348 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.685 -0.119 -13.053 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.603 2.239 -11.134 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.204 1.698 -12.041 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.331 2.103 -13.893 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.230 3.906 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.303 5.389 -12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.419 4.024 -15.114 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.536 5.455 -14.574 1.00 0.00 H new ATOM 1508 N GLU A 101 -5.936 0.979 -14.570 1.00 0.00 N ATOM 1509 CA GLU A 101 -5.886 1.635 -15.868 1.00 0.00 C ATOM 1510 C GLU A 101 -6.869 2.801 -15.910 1.00 0.00 C ATOM 1511 O GLU A 101 -7.946 2.700 -16.496 1.00 0.00 O ATOM 1512 CB GLU A 101 -6.203 0.631 -16.980 1.00 0.00 C ATOM 1513 CG GLU A 101 -5.265 0.725 -18.172 1.00 0.00 C ATOM 1514 CD GLU A 101 -4.824 -0.635 -18.677 1.00 0.00 C ATOM 1515 OE1 GLU A 101 -5.700 -1.453 -19.026 1.00 0.00 O ATOM 1516 OE2 GLU A 101 -3.600 -0.883 -18.723 1.00 0.00 O ATOM 0 H GLU A 101 -6.757 1.215 -14.013 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.880 2.024 -16.025 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -6.156 -0.378 -16.571 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.226 0.790 -17.320 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.762 1.264 -18.979 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.387 1.307 -17.893 1.00 0.00 H new ATOM 1523 N LEU A 102 -6.495 3.908 -15.272 1.00 0.00 N ATOM 1524 CA LEU A 102 -7.348 5.088 -15.224 1.00 0.00 C ATOM 1525 C LEU A 102 -7.364 5.824 -16.563 1.00 0.00 C ATOM 1526 O LEU A 102 -8.428 6.057 -17.134 1.00 0.00 O ATOM 1527 CB LEU A 102 -6.878 6.031 -14.119 1.00 0.00 C ATOM 1528 CG LEU A 102 -7.370 5.685 -12.712 1.00 0.00 C ATOM 1529 CD1 LEU A 102 -7.151 4.210 -12.412 1.00 0.00 C ATOM 1530 CD2 LEU A 102 -6.661 6.547 -11.686 1.00 0.00 C ATOM 0 H LEU A 102 -5.606 4.010 -14.782 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.364 4.755 -15.011 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.788 6.042 -14.113 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.206 7.042 -14.363 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.440 5.886 -12.660 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.508 3.986 -11.407 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.700 3.606 -13.135 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.088 3.979 -12.479 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.018 6.293 -10.688 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.587 6.371 -11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.867 7.598 -11.889 1.00 0.00 H new ATOM 1542 N PRO A 103 -6.185 6.209 -17.086 1.00 0.00 N ATOM 1543 CA PRO A 103 -6.092 6.926 -18.361 1.00 0.00 C ATOM 1544 C PRO A 103 -6.489 6.054 -19.545 1.00 0.00 C ATOM 1545 O PRO A 103 -5.877 5.016 -19.800 1.00 0.00 O ATOM 1546 CB PRO A 103 -4.615 7.315 -18.449 1.00 0.00 C ATOM 1547 CG PRO A 103 -3.908 6.321 -17.598 1.00 0.00 C ATOM 1548 CD PRO A 103 -4.857 5.983 -16.482 1.00 0.00 C ATOM 0 HA PRO A 103 -6.770 7.779 -18.398 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.258 7.280 -19.478 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.452 8.331 -18.089 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.647 5.431 -18.171 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -2.977 6.733 -17.208 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.736 4.952 -16.150 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.697 6.619 -15.611 1.00 0.00 H new ATOM 1556 N GLU A 104 -7.517 6.483 -20.267 1.00 0.00 N ATOM 1557 CA GLU A 104 -7.999 5.743 -21.426 1.00 0.00 C ATOM 1558 C GLU A 104 -7.301 6.213 -22.698 1.00 0.00 C ATOM 1559 O GLU A 104 -6.934 5.405 -23.551 1.00 0.00 O ATOM 1560 CB GLU A 104 -9.513 5.909 -21.572 1.00 0.00 C ATOM 1561 CG GLU A 104 -10.139 4.921 -22.542 1.00 0.00 C ATOM 1562 CD GLU A 104 -10.773 5.600 -23.740 1.00 0.00 C ATOM 1563 OE1 GLU A 104 -11.965 5.962 -23.656 1.00 0.00 O ATOM 1564 OE2 GLU A 104 -10.077 5.768 -24.764 1.00 0.00 O ATOM 0 H GLU A 104 -8.033 7.340 -20.070 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.770 4.688 -21.273 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.980 5.791 -20.594 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.729 6.923 -21.908 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -9.376 4.223 -22.887 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.895 4.334 -22.020 1.00 0.00 H new ATOM 1571 N LEU A 105 -7.117 7.524 -22.815 1.00 0.00 N ATOM 1572 CA LEU A 105 -6.461 8.101 -23.981 1.00 0.00 C ATOM 1573 C LEU A 105 -5.043 8.550 -23.637 1.00 0.00 C ATOM 1574 O LEU A 105 -4.591 8.394 -22.503 1.00 0.00 O ATOM 1575 CB LEU A 105 -7.272 9.284 -24.515 1.00 0.00 C ATOM 1576 CG LEU A 105 -8.105 8.986 -25.762 1.00 0.00 C ATOM 1577 CD1 LEU A 105 -9.133 10.084 -25.990 1.00 0.00 C ATOM 1578 CD2 LEU A 105 -7.205 8.833 -26.980 1.00 0.00 C ATOM 0 H LEU A 105 -7.413 8.206 -22.117 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.402 7.335 -24.754 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.938 9.634 -23.726 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.588 10.102 -24.740 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.635 8.046 -25.607 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.717 9.856 -26.882 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.797 10.146 -25.127 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.623 11.038 -26.125 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.815 8.621 -27.858 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.648 9.756 -27.139 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.507 8.012 -26.816 1.00 0.00 H new ATOM 1590 N THR A 106 -4.347 9.107 -24.624 1.00 0.00 N ATOM 1591 CA THR A 106 -2.982 9.578 -24.423 1.00 0.00 C ATOM 1592 C THR A 106 -2.888 11.084 -24.642 1.00 0.00 C ATOM 1593 O THR A 106 -3.029 11.524 -25.801 1.00 0.00 O ATOM 1594 CB THR A 106 -2.026 8.850 -25.369 1.00 0.00 C ATOM 1595 OG1 THR A 106 -2.396 7.489 -25.504 1.00 0.00 O ATOM 1596 CG2 THR A 106 -0.583 8.889 -24.911 1.00 0.00 C ATOM 1597 OXT THR A 106 -2.676 11.813 -23.649 1.00 0.00 O ATOM 0 H THR A 106 -4.706 9.243 -25.569 1.00 0.00 H new ATOM 0 HA THR A 106 -2.697 9.362 -23.393 1.00 0.00 H new ATOM 0 HB THR A 106 -2.103 9.378 -26.319 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.774 7.040 -26.114 1.00 0.00 H new ATOM 0 HG21 THR A 106 0.041 8.354 -25.627 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.251 9.925 -24.843 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.499 8.416 -23.933 1.00 0.00 H new TER 1605 THR A 106