USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 73 SER OG : rot 105:sc= 0.101 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.11 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.606 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 39 SER OG : rot 57:sc= 0.591 USER MOD Single : A 41 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.61) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 45 MET CE :methyl 136:sc= -1.35 (180deg=-2.12) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.913 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.961 K(o=-0.96,f=-3!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 72 TYR OH : rot -1:sc= -0.491 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -4.21! C(o=-5!,f=-4.2!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.761 K(o=-0.76,f=-1.6) USER MOD Single : A 84 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.5!) USER MOD Single : A 90 SER OG : rot 46:sc= 1 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.588 -8.344 13.232 1.00 0.00 N ATOM 2 CA GLY A 1 -20.552 -7.448 13.712 1.00 0.00 C ATOM 3 C GLY A 1 -19.464 -7.216 12.682 1.00 0.00 C ATOM 4 O GLY A 1 -18.293 -7.506 12.929 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.308 -8.470 13.972 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.032 -7.939 12.383 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.168 -9.266 12.997 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.000 -6.492 13.985 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.109 -7.862 14.618 1.00 0.00 H new ATOM 8 N SER A 2 -19.851 -6.692 11.523 1.00 0.00 N ATOM 9 CA SER A 2 -18.900 -6.426 10.450 1.00 0.00 C ATOM 10 C SER A 2 -18.271 -5.045 10.611 1.00 0.00 C ATOM 11 O SER A 2 -18.972 -4.044 10.752 1.00 0.00 O ATOM 12 CB SER A 2 -19.593 -6.526 9.089 1.00 0.00 C ATOM 13 OG SER A 2 -18.667 -6.352 8.031 1.00 0.00 O ATOM 0 H SER A 2 -20.816 -6.444 11.303 1.00 0.00 H new ATOM 0 HA SER A 2 -18.110 -7.175 10.505 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.079 -7.497 8.995 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.375 -5.770 9.019 1.00 0.00 H new ATOM 0 HG SER A 2 -19.134 -6.422 7.172 1.00 0.00 H new ATOM 19 N SER A 3 -16.942 -5.002 10.590 1.00 0.00 N ATOM 20 CA SER A 3 -16.216 -3.746 10.738 1.00 0.00 C ATOM 21 C SER A 3 -15.969 -3.098 9.379 1.00 0.00 C ATOM 22 O SER A 3 -15.924 -3.776 8.354 1.00 0.00 O ATOM 23 CB SER A 3 -14.884 -3.983 11.452 1.00 0.00 C ATOM 24 OG SER A 3 -13.978 -4.687 10.621 1.00 0.00 O ATOM 0 H SER A 3 -16.347 -5.822 10.472 1.00 0.00 H new ATOM 0 HA SER A 3 -16.826 -3.071 11.338 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.448 -3.027 11.742 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.055 -4.547 12.369 1.00 0.00 H new ATOM 0 HG SER A 3 -13.134 -4.824 11.100 1.00 0.00 H new ATOM 30 N GLY A 4 -15.810 -1.777 9.380 1.00 0.00 N ATOM 31 CA GLY A 4 -15.570 -1.058 8.143 1.00 0.00 C ATOM 32 C GLY A 4 -15.407 0.433 8.361 1.00 0.00 C ATOM 33 O GLY A 4 -15.654 0.937 9.457 1.00 0.00 O ATOM 0 H GLY A 4 -15.843 -1.193 10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.673 -1.452 7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.399 -1.233 7.458 1.00 0.00 H new ATOM 37 N SER A 5 -14.988 1.140 7.317 1.00 0.00 N ATOM 38 CA SER A 5 -14.787 2.582 7.401 1.00 0.00 C ATOM 39 C SER A 5 -16.097 3.328 7.162 1.00 0.00 C ATOM 40 O SER A 5 -16.537 4.116 7.999 1.00 0.00 O ATOM 41 CB SER A 5 -13.738 3.032 6.383 1.00 0.00 C ATOM 42 OG SER A 5 -12.518 2.334 6.566 1.00 0.00 O ATOM 0 H SER A 5 -14.781 0.738 6.403 1.00 0.00 H new ATOM 0 HA SER A 5 -14.433 2.817 8.405 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.110 2.861 5.373 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.566 4.104 6.483 1.00 0.00 H new ATOM 0 HG SER A 5 -11.864 2.638 5.902 1.00 0.00 H new ATOM 48 N SER A 6 -16.714 3.073 6.013 1.00 0.00 N ATOM 49 CA SER A 6 -17.971 3.723 5.660 1.00 0.00 C ATOM 50 C SER A 6 -17.827 5.241 5.694 1.00 0.00 C ATOM 51 O SER A 6 -18.708 5.949 6.180 1.00 0.00 O ATOM 52 CB SER A 6 -19.082 3.283 6.616 1.00 0.00 C ATOM 53 OG SER A 6 -19.250 1.876 6.590 1.00 0.00 O ATOM 0 H SER A 6 -16.364 2.421 5.311 1.00 0.00 H new ATOM 0 HA SER A 6 -18.234 3.424 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.843 3.605 7.629 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.018 3.769 6.340 1.00 0.00 H new ATOM 0 HG SER A 6 -19.964 1.620 7.210 1.00 0.00 H new ATOM 59 N GLY A 7 -16.707 5.735 5.175 1.00 0.00 N ATOM 60 CA GLY A 7 -16.465 7.165 5.156 1.00 0.00 C ATOM 61 C GLY A 7 -15.824 7.628 3.863 1.00 0.00 C ATOM 62 O GLY A 7 -16.408 7.490 2.787 1.00 0.00 O ATOM 0 H GLY A 7 -15.963 5.169 4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.408 7.692 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.820 7.432 5.993 1.00 0.00 H new ATOM 66 N LEU A 8 -14.620 8.180 3.966 1.00 0.00 N ATOM 67 CA LEU A 8 -13.898 8.666 2.795 1.00 0.00 C ATOM 68 C LEU A 8 -12.424 8.889 3.118 1.00 0.00 C ATOM 69 O LEU A 8 -12.075 9.277 4.232 1.00 0.00 O ATOM 70 CB LEU A 8 -14.524 9.967 2.290 1.00 0.00 C ATOM 71 CG LEU A 8 -14.481 11.152 3.256 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.460 12.465 2.489 1.00 0.00 C ATOM 73 CD2 LEU A 8 -15.666 11.107 4.208 1.00 0.00 C ATOM 0 H LEU A 8 -14.123 8.302 4.848 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.969 7.909 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -14.018 10.256 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.565 9.770 2.034 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.566 11.084 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.429 13.297 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.578 12.498 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.357 12.542 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.619 11.958 4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.593 11.150 3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.636 10.181 4.783 1.00 0.00 H new ATOM 85 N GLU A 9 -11.564 8.644 2.134 1.00 0.00 N ATOM 86 CA GLU A 9 -10.128 8.819 2.314 1.00 0.00 C ATOM 87 C GLU A 9 -9.493 9.423 1.065 1.00 0.00 C ATOM 88 O GLU A 9 -9.684 8.924 -0.044 1.00 0.00 O ATOM 89 CB GLU A 9 -9.465 7.480 2.640 1.00 0.00 C ATOM 90 CG GLU A 9 -9.753 6.393 1.618 1.00 0.00 C ATOM 91 CD GLU A 9 -11.184 5.896 1.683 1.00 0.00 C ATOM 92 OE1 GLU A 9 -11.753 5.866 2.795 1.00 0.00 O ATOM 93 OE2 GLU A 9 -11.736 5.537 0.622 1.00 0.00 O ATOM 0 H GLU A 9 -11.837 8.324 1.205 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.973 9.505 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.387 7.625 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.805 7.145 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.551 6.777 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.074 5.556 1.782 1.00 0.00 H new ATOM 100 N GLU A 10 -8.737 10.500 1.253 1.00 0.00 N ATOM 101 CA GLU A 10 -8.075 11.173 0.142 1.00 0.00 C ATOM 102 C GLU A 10 -7.201 10.197 -0.641 1.00 0.00 C ATOM 103 O GLU A 10 -7.306 10.095 -1.864 1.00 0.00 O ATOM 104 CB GLU A 10 -7.226 12.338 0.654 1.00 0.00 C ATOM 105 CG GLU A 10 -8.040 13.448 1.297 1.00 0.00 C ATOM 106 CD GLU A 10 -8.674 14.373 0.277 1.00 0.00 C ATOM 107 OE1 GLU A 10 -7.967 15.270 -0.230 1.00 0.00 O ATOM 108 OE2 GLU A 10 -9.875 14.200 -0.016 1.00 0.00 O ATOM 0 H GLU A 10 -8.568 10.925 2.165 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.845 11.561 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.506 11.960 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.654 12.752 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.821 13.008 1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.397 14.029 1.958 1.00 0.00 H new ATOM 115 N VAL A 11 -6.337 9.482 0.072 1.00 0.00 N ATOM 116 CA VAL A 11 -5.445 8.514 -0.554 1.00 0.00 C ATOM 117 C VAL A 11 -6.231 7.381 -1.204 1.00 0.00 C ATOM 118 O VAL A 11 -7.326 7.038 -0.758 1.00 0.00 O ATOM 119 CB VAL A 11 -4.457 7.919 0.466 1.00 0.00 C ATOM 120 CG1 VAL A 11 -3.553 9.004 1.031 1.00 0.00 C ATOM 121 CG2 VAL A 11 -5.208 7.206 1.581 1.00 0.00 C ATOM 0 H VAL A 11 -6.236 9.555 1.084 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.885 9.050 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.831 7.188 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.862 8.564 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.989 9.466 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.160 9.761 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.494 6.791 2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.860 7.915 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.808 6.400 1.158 1.00 0.00 H new ATOM 131 N GLN A 12 -5.665 6.805 -2.260 1.00 0.00 N ATOM 132 CA GLN A 12 -6.315 5.710 -2.971 1.00 0.00 C ATOM 133 C GLN A 12 -5.464 4.445 -2.917 1.00 0.00 C ATOM 134 O GLN A 12 -4.775 4.106 -3.879 1.00 0.00 O ATOM 135 CB GLN A 12 -6.574 6.103 -4.427 1.00 0.00 C ATOM 136 CG GLN A 12 -7.557 5.188 -5.138 1.00 0.00 C ATOM 137 CD GLN A 12 -7.895 5.667 -6.536 1.00 0.00 C ATOM 138 OE1 GLN A 12 -7.040 6.197 -7.246 1.00 0.00 O ATOM 139 NE2 GLN A 12 -9.147 5.483 -6.939 1.00 0.00 N ATOM 0 H GLN A 12 -4.759 7.078 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.267 5.506 -2.482 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.954 7.124 -4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.629 6.099 -4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.137 4.184 -5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.473 5.118 -4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.823 5.039 -6.317 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.433 5.785 -7.870 1.00 0.00 H new ATOM 148 N LEU A 13 -5.517 3.751 -1.785 1.00 0.00 N ATOM 149 CA LEU A 13 -4.751 2.523 -1.605 1.00 0.00 C ATOM 150 C LEU A 13 -5.516 1.320 -2.147 1.00 0.00 C ATOM 151 O LEU A 13 -6.303 0.698 -1.433 1.00 0.00 O ATOM 152 CB LEU A 13 -4.430 2.312 -0.124 1.00 0.00 C ATOM 153 CG LEU A 13 -3.725 1.002 0.230 1.00 0.00 C ATOM 154 CD1 LEU A 13 -2.317 0.981 -0.345 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.690 0.806 1.738 1.00 0.00 C ATOM 0 H LEU A 13 -6.082 4.018 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.820 2.620 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.806 3.140 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.361 2.364 0.440 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.287 0.179 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.831 0.041 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.366 1.074 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.744 1.813 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.185 -0.131 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.152 1.633 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.709 0.775 2.125 1.00 0.00 H new ATOM 167 N VAL A 14 -5.278 0.995 -3.414 1.00 0.00 N ATOM 168 CA VAL A 14 -5.941 -0.136 -4.051 1.00 0.00 C ATOM 169 C VAL A 14 -5.037 -1.363 -4.072 1.00 0.00 C ATOM 170 O VAL A 14 -4.193 -1.511 -4.956 1.00 0.00 O ATOM 171 CB VAL A 14 -6.364 0.201 -5.494 1.00 0.00 C ATOM 172 CG1 VAL A 14 -7.021 -1.002 -6.153 1.00 0.00 C ATOM 173 CG2 VAL A 14 -7.296 1.403 -5.508 1.00 0.00 C ATOM 0 H VAL A 14 -4.631 1.500 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.831 -0.354 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.472 0.455 -6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.313 -0.745 -7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.317 -1.834 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.905 -1.291 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.585 1.627 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.187 1.180 -4.921 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.785 2.265 -5.078 1.00 0.00 H new ATOM 183 N VAL A 15 -5.219 -2.242 -3.091 1.00 0.00 N ATOM 184 CA VAL A 15 -4.421 -3.459 -2.997 1.00 0.00 C ATOM 185 C VAL A 15 -4.857 -4.483 -4.039 1.00 0.00 C ATOM 186 O VAL A 15 -6.035 -4.573 -4.380 1.00 0.00 O ATOM 187 CB VAL A 15 -4.525 -4.091 -1.596 1.00 0.00 C ATOM 188 CG1 VAL A 15 -3.589 -5.284 -1.479 1.00 0.00 C ATOM 189 CG2 VAL A 15 -4.221 -3.057 -0.522 1.00 0.00 C ATOM 0 H VAL A 15 -5.912 -2.134 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.385 -3.175 -3.183 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.546 -4.444 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.676 -5.718 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.858 -6.032 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.562 -4.958 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.299 -3.520 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.211 -2.672 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.935 -2.237 -0.594 1.00 0.00 H new ATOM 199 N GLU A 16 -3.897 -5.255 -4.539 1.00 0.00 N ATOM 200 CA GLU A 16 -4.182 -6.274 -5.542 1.00 0.00 C ATOM 201 C GLU A 16 -3.592 -7.620 -5.133 1.00 0.00 C ATOM 202 O GLU A 16 -2.383 -7.844 -5.203 1.00 0.00 O ATOM 203 CB GLU A 16 -3.623 -5.852 -6.903 1.00 0.00 C ATOM 204 CG GLU A 16 -4.529 -4.899 -7.664 1.00 0.00 C ATOM 205 CD GLU A 16 -5.957 -5.401 -7.757 1.00 0.00 C ATOM 206 OE1 GLU A 16 -6.162 -6.514 -8.284 1.00 0.00 O ATOM 207 OE2 GLU A 16 -6.870 -4.680 -7.302 1.00 0.00 O ATOM 0 H GLU A 16 -2.916 -5.194 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.264 -6.379 -5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.652 -5.378 -6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.455 -6.742 -7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.521 -3.926 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.133 -4.752 -8.669 1.00 0.00 H new ATOM 214 N PRO A 17 -4.464 -8.540 -4.696 1.00 0.00 N ATOM 215 CA PRO A 17 -5.905 -8.286 -4.608 1.00 0.00 C ATOM 216 C PRO A 17 -6.252 -7.290 -3.507 1.00 0.00 C ATOM 217 O PRO A 17 -5.456 -7.053 -2.599 1.00 0.00 O ATOM 218 CB PRO A 17 -6.490 -9.663 -4.287 1.00 0.00 C ATOM 219 CG PRO A 17 -5.380 -10.399 -3.619 1.00 0.00 C ATOM 220 CD PRO A 17 -4.111 -9.899 -4.252 1.00 0.00 C ATOM 0 HA PRO A 17 -6.297 -7.845 -5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.360 -9.582 -3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.817 -10.175 -5.192 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.380 -10.213 -2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.487 -11.475 -3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.285 -9.888 -3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.804 -10.528 -5.088 1.00 0.00 H new ATOM 228 N GLU A 18 -7.446 -6.711 -3.593 1.00 0.00 N ATOM 229 CA GLU A 18 -7.897 -5.740 -2.603 1.00 0.00 C ATOM 230 C GLU A 18 -8.085 -6.401 -1.240 1.00 0.00 C ATOM 231 O GLU A 18 -7.870 -5.778 -0.201 1.00 0.00 O ATOM 232 CB GLU A 18 -9.207 -5.091 -3.052 1.00 0.00 C ATOM 233 CG GLU A 18 -10.308 -6.092 -3.360 1.00 0.00 C ATOM 234 CD GLU A 18 -11.634 -5.424 -3.671 1.00 0.00 C ATOM 235 OE1 GLU A 18 -12.292 -4.943 -2.724 1.00 0.00 O ATOM 236 OE2 GLU A 18 -12.013 -5.382 -4.860 1.00 0.00 O ATOM 0 H GLU A 18 -8.118 -6.898 -4.338 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.131 -4.970 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.552 -4.412 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.018 -4.487 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.008 -6.707 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.434 -6.762 -2.509 1.00 0.00 H new ATOM 243 N GLY A 19 -8.489 -7.668 -1.254 1.00 0.00 N ATOM 244 CA GLY A 19 -8.700 -8.392 -0.014 1.00 0.00 C ATOM 245 C GLY A 19 -7.514 -8.293 0.925 1.00 0.00 C ATOM 246 O GLY A 19 -7.681 -8.121 2.131 1.00 0.00 O ATOM 0 H GLY A 19 -8.674 -8.205 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.587 -8.002 0.484 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.895 -9.441 -0.238 1.00 0.00 H new ATOM 250 N GLY A 20 -6.311 -8.404 0.369 1.00 0.00 N ATOM 251 CA GLY A 20 -5.110 -8.326 1.180 1.00 0.00 C ATOM 252 C GLY A 20 -4.627 -9.689 1.634 1.00 0.00 C ATOM 253 O GLY A 20 -4.063 -9.826 2.719 1.00 0.00 O ATOM 0 H GLY A 20 -6.147 -8.546 -0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.321 -7.836 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.305 -7.704 2.053 1.00 0.00 H new ATOM 257 N ALA A 21 -4.849 -10.701 0.802 1.00 0.00 N ATOM 258 CA ALA A 21 -4.432 -12.060 1.123 1.00 0.00 C ATOM 259 C ALA A 21 -4.058 -12.832 -0.137 1.00 0.00 C ATOM 260 O ALA A 21 -4.828 -12.885 -1.097 1.00 0.00 O ATOM 261 CB ALA A 21 -5.534 -12.785 1.881 1.00 0.00 C ATOM 0 H ALA A 21 -5.316 -10.605 -0.100 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.547 -12.002 1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.209 -13.799 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.751 -12.251 2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.433 -12.825 1.266 1.00 0.00 H new ATOM 267 N VAL A 22 -2.871 -13.430 -0.129 1.00 0.00 N ATOM 268 CA VAL A 22 -2.395 -14.200 -1.272 1.00 0.00 C ATOM 269 C VAL A 22 -1.602 -15.421 -0.820 1.00 0.00 C ATOM 270 O VAL A 22 -1.106 -15.471 0.305 1.00 0.00 O ATOM 271 CB VAL A 22 -1.512 -13.342 -2.198 1.00 0.00 C ATOM 272 CG1 VAL A 22 -2.286 -12.137 -2.709 1.00 0.00 C ATOM 273 CG2 VAL A 22 -0.247 -12.906 -1.474 1.00 0.00 C ATOM 0 H VAL A 22 -2.221 -13.396 0.657 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.277 -14.527 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.221 -13.947 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.646 -11.543 -3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.159 -12.475 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.609 -11.528 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.365 -12.301 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.515 -12.318 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.316 -13.786 -1.164 1.00 0.00 H new ATOM 283 N ALA A 23 -1.486 -16.406 -1.706 1.00 0.00 N ATOM 284 CA ALA A 23 -0.751 -17.626 -1.399 1.00 0.00 C ATOM 285 C ALA A 23 0.715 -17.326 -1.104 1.00 0.00 C ATOM 286 O ALA A 23 1.241 -16.271 -1.461 1.00 0.00 O ATOM 287 CB ALA A 23 -0.868 -18.616 -2.549 1.00 0.00 C ATOM 0 H ALA A 23 -1.892 -16.382 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.190 -18.069 -0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.314 -19.523 -2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.917 -18.864 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.457 -18.171 -3.455 1.00 0.00 H new ATOM 293 N PRO A 24 1.391 -18.272 -0.437 1.00 0.00 N ATOM 294 CA PRO A 24 2.806 -18.131 -0.079 1.00 0.00 C ATOM 295 C PRO A 24 3.721 -18.197 -1.297 1.00 0.00 C ATOM 296 O PRO A 24 4.280 -19.247 -1.610 1.00 0.00 O ATOM 297 CB PRO A 24 3.059 -19.324 0.845 1.00 0.00 C ATOM 298 CG PRO A 24 2.039 -20.334 0.447 1.00 0.00 C ATOM 299 CD PRO A 24 0.828 -19.554 0.019 1.00 0.00 C ATOM 0 HA PRO A 24 3.016 -17.166 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.070 -19.713 0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.951 -19.043 1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.407 -20.960 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.802 -20.997 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.285 -20.061 -0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.128 -19.415 0.843 1.00 0.00 H new ATOM 307 N GLY A 25 3.870 -17.066 -1.982 1.00 0.00 N ATOM 308 CA GLY A 25 4.719 -17.018 -3.158 1.00 0.00 C ATOM 309 C GLY A 25 4.048 -16.330 -4.330 1.00 0.00 C ATOM 310 O GLY A 25 4.362 -16.610 -5.486 1.00 0.00 O ATOM 0 H GLY A 25 3.418 -16.183 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.643 -16.494 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.994 -18.033 -3.445 1.00 0.00 H new ATOM 314 N GLY A 26 3.119 -15.427 -4.031 1.00 0.00 N ATOM 315 CA GLY A 26 2.415 -14.712 -5.079 1.00 0.00 C ATOM 316 C GLY A 26 2.971 -13.320 -5.306 1.00 0.00 C ATOM 317 O GLY A 26 4.122 -13.040 -4.970 1.00 0.00 O ATOM 0 H GLY A 26 2.842 -15.178 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.477 -15.280 -6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.359 -14.640 -4.819 1.00 0.00 H new ATOM 321 N THR A 27 2.152 -12.443 -5.879 1.00 0.00 N ATOM 322 CA THR A 27 2.568 -11.074 -6.153 1.00 0.00 C ATOM 323 C THR A 27 1.433 -10.091 -5.890 1.00 0.00 C ATOM 324 O THR A 27 0.365 -10.184 -6.495 1.00 0.00 O ATOM 325 CB THR A 27 3.045 -10.912 -7.609 1.00 0.00 C ATOM 326 OG1 THR A 27 4.091 -11.849 -7.889 1.00 0.00 O ATOM 327 CG2 THR A 27 3.543 -9.497 -7.862 1.00 0.00 C ATOM 0 H THR A 27 1.196 -12.658 -6.162 1.00 0.00 H new ATOM 0 HA THR A 27 3.397 -10.856 -5.480 1.00 0.00 H new ATOM 0 HB THR A 27 2.199 -11.105 -8.268 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.388 -11.741 -8.817 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.874 -9.407 -8.897 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.736 -8.789 -7.677 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.376 -9.280 -7.194 1.00 0.00 H new ATOM 335 N VAL A 28 1.672 -9.148 -4.984 1.00 0.00 N ATOM 336 CA VAL A 28 0.669 -8.146 -4.642 1.00 0.00 C ATOM 337 C VAL A 28 1.103 -6.757 -5.099 1.00 0.00 C ATOM 338 O VAL A 28 2.252 -6.357 -4.905 1.00 0.00 O ATOM 339 CB VAL A 28 0.401 -8.115 -3.126 1.00 0.00 C ATOM 340 CG1 VAL A 28 -0.604 -7.026 -2.783 1.00 0.00 C ATOM 341 CG2 VAL A 28 -0.088 -9.473 -2.645 1.00 0.00 C ATOM 0 H VAL A 28 2.551 -9.057 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.248 -8.426 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 28 1.336 -7.887 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.781 -7.020 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.211 -6.058 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.542 -7.219 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.273 -9.434 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.012 -9.731 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.670 -10.228 -2.856 1.00 0.00 H new ATOM 351 N THR A 29 0.176 -6.023 -5.706 1.00 0.00 N ATOM 352 CA THR A 29 0.461 -4.679 -6.191 1.00 0.00 C ATOM 353 C THR A 29 -0.218 -3.626 -5.323 1.00 0.00 C ATOM 354 O THR A 29 -1.440 -3.476 -5.352 1.00 0.00 O ATOM 355 CB THR A 29 0.002 -4.499 -7.650 1.00 0.00 C ATOM 356 OG1 THR A 29 0.613 -5.492 -8.482 1.00 0.00 O ATOM 357 CG2 THR A 29 0.360 -3.112 -8.162 1.00 0.00 C ATOM 0 H THR A 29 -0.780 -6.337 -5.873 1.00 0.00 H new ATOM 0 HA THR A 29 1.542 -4.547 -6.139 1.00 0.00 H new ATOM 0 HB THR A 29 -1.081 -4.614 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.315 -5.372 -9.408 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.026 -3.008 -9.194 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.129 -2.359 -7.545 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.440 -2.974 -8.114 1.00 0.00 H new ATOM 365 N LEU A 30 0.581 -2.897 -4.552 1.00 0.00 N ATOM 366 CA LEU A 30 0.057 -1.855 -3.675 1.00 0.00 C ATOM 367 C LEU A 30 0.098 -0.494 -4.362 1.00 0.00 C ATOM 368 O LEU A 30 1.121 0.191 -4.348 1.00 0.00 O ATOM 369 CB LEU A 30 0.858 -1.806 -2.373 1.00 0.00 C ATOM 370 CG LEU A 30 0.773 -3.049 -1.486 1.00 0.00 C ATOM 371 CD1 LEU A 30 2.063 -3.233 -0.701 1.00 0.00 C ATOM 372 CD2 LEU A 30 -0.418 -2.951 -0.543 1.00 0.00 C ATOM 0 H LEU A 30 1.594 -3.008 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.981 -2.095 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.905 -1.631 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.520 -0.947 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 30 0.633 -3.920 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.985 -4.122 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.897 -3.349 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.233 -2.360 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.463 -3.844 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.309 -2.071 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.336 -2.868 -1.124 1.00 0.00 H new ATOM 384 N THR A 31 -1.023 -0.105 -4.961 1.00 0.00 N ATOM 385 CA THR A 31 -1.117 1.175 -5.652 1.00 0.00 C ATOM 386 C THR A 31 -1.631 2.266 -4.721 1.00 0.00 C ATOM 387 O THR A 31 -2.548 2.042 -3.931 1.00 0.00 O ATOM 388 CB THR A 31 -2.043 1.084 -6.879 1.00 0.00 C ATOM 389 OG1 THR A 31 -1.698 -0.058 -7.671 1.00 0.00 O ATOM 390 CG2 THR A 31 -1.943 2.344 -7.727 1.00 0.00 C ATOM 0 H THR A 31 -1.879 -0.659 -4.981 1.00 0.00 H new ATOM 0 HA THR A 31 -0.110 1.430 -5.984 1.00 0.00 H new ATOM 0 HB THR A 31 -3.069 0.983 -6.525 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.293 -0.109 -8.448 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.606 2.257 -8.588 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.235 3.208 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.916 2.471 -8.071 1.00 0.00 H new ATOM 398 N CYS A 32 -1.035 3.450 -4.819 1.00 0.00 N ATOM 399 CA CYS A 32 -1.433 4.578 -3.985 1.00 0.00 C ATOM 400 C CYS A 32 -1.111 5.902 -4.672 1.00 0.00 C ATOM 401 O CYS A 32 0.043 6.178 -4.999 1.00 0.00 O ATOM 402 CB CYS A 32 -0.728 4.510 -2.629 1.00 0.00 C ATOM 403 SG CYS A 32 -1.689 5.224 -1.255 1.00 0.00 S ATOM 0 H CYS A 32 -0.275 3.653 -5.468 1.00 0.00 H new ATOM 0 HA CYS A 32 -2.510 4.521 -3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.505 3.468 -2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.226 5.032 -2.701 1.00 0.00 H new ATOM 408 N GLU A 33 -2.139 6.717 -4.886 1.00 0.00 N ATOM 409 CA GLU A 33 -1.965 8.012 -5.534 1.00 0.00 C ATOM 410 C GLU A 33 -2.861 9.066 -4.892 1.00 0.00 C ATOM 411 O GLU A 33 -3.958 8.763 -4.423 1.00 0.00 O ATOM 412 CB GLU A 33 -2.275 7.904 -7.029 1.00 0.00 C ATOM 413 CG GLU A 33 -1.455 6.845 -7.746 1.00 0.00 C ATOM 414 CD GLU A 33 -1.666 6.862 -9.248 1.00 0.00 C ATOM 415 OE1 GLU A 33 -1.003 7.669 -9.932 1.00 0.00 O ATOM 416 OE2 GLU A 33 -2.495 6.067 -9.738 1.00 0.00 O ATOM 0 H GLU A 33 -3.100 6.504 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.926 8.317 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.334 7.679 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.095 8.871 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.398 7.001 -7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.718 5.862 -7.357 1.00 0.00 H new ATOM 423 N VAL A 34 -2.385 10.307 -4.874 1.00 0.00 N ATOM 424 CA VAL A 34 -3.142 11.408 -4.290 1.00 0.00 C ATOM 425 C VAL A 34 -3.970 12.128 -5.349 1.00 0.00 C ATOM 426 O VAL A 34 -3.518 12.368 -6.469 1.00 0.00 O ATOM 427 CB VAL A 34 -2.213 12.425 -3.601 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.018 13.584 -3.032 1.00 0.00 C ATOM 429 CG2 VAL A 34 -1.396 11.747 -2.512 1.00 0.00 C ATOM 0 H VAL A 34 -1.479 10.575 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.809 10.974 -3.545 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.524 12.824 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.345 14.292 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.554 14.085 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.733 13.206 -2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.745 12.480 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.067 11.319 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.790 10.955 -2.952 1.00 0.00 H new ATOM 439 N PRO A 35 -5.212 12.483 -4.989 1.00 0.00 N ATOM 440 CA PRO A 35 -6.130 13.182 -5.893 1.00 0.00 C ATOM 441 C PRO A 35 -5.694 14.618 -6.165 1.00 0.00 C ATOM 442 O PRO A 35 -5.716 15.077 -7.306 1.00 0.00 O ATOM 443 CB PRO A 35 -7.460 13.162 -5.135 1.00 0.00 C ATOM 444 CG PRO A 35 -7.076 13.051 -3.700 1.00 0.00 C ATOM 445 CD PRO A 35 -5.817 12.229 -3.670 1.00 0.00 C ATOM 0 HA PRO A 35 -6.176 12.708 -6.873 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.036 14.068 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.080 12.321 -5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.909 14.036 -3.263 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.867 12.575 -3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.156 12.536 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.032 11.170 -3.523 1.00 0.00 H new ATOM 453 N ALA A 36 -5.298 15.321 -5.109 1.00 0.00 N ATOM 454 CA ALA A 36 -4.854 16.704 -5.235 1.00 0.00 C ATOM 455 C ALA A 36 -3.505 16.785 -5.941 1.00 0.00 C ATOM 456 O ALA A 36 -3.279 17.670 -6.766 1.00 0.00 O ATOM 457 CB ALA A 36 -4.775 17.359 -3.864 1.00 0.00 C ATOM 0 H ALA A 36 -5.276 14.956 -4.157 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.584 17.241 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.442 18.391 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.759 17.342 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.067 16.813 -3.240 1.00 0.00 H new ATOM 463 N GLN A 37 -2.612 15.858 -5.611 1.00 0.00 N ATOM 464 CA GLN A 37 -1.285 15.827 -6.214 1.00 0.00 C ATOM 465 C GLN A 37 -1.209 14.769 -7.309 1.00 0.00 C ATOM 466 O GLN A 37 -1.538 13.601 -7.102 1.00 0.00 O ATOM 467 CB GLN A 37 -0.224 15.550 -5.147 1.00 0.00 C ATOM 468 CG GLN A 37 0.275 16.804 -4.445 1.00 0.00 C ATOM 469 CD GLN A 37 -0.702 17.318 -3.406 1.00 0.00 C ATOM 470 OE1 GLN A 37 -1.082 16.596 -2.484 1.00 0.00 O ATOM 471 NE2 GLN A 37 -1.114 18.572 -3.550 1.00 0.00 N ATOM 0 H GLN A 37 -2.783 15.119 -4.930 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.094 16.802 -6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.637 14.868 -4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.622 15.042 -5.611 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.231 16.592 -3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.456 17.583 -5.186 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.773 19.135 -4.329 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.772 18.973 -2.881 1.00 0.00 H new ATOM 480 N PRO A 38 -0.766 15.185 -8.505 1.00 0.00 N ATOM 481 CA PRO A 38 -0.636 14.288 -9.657 1.00 0.00 C ATOM 482 C PRO A 38 0.492 13.278 -9.482 1.00 0.00 C ATOM 483 O PRO A 38 0.288 12.073 -9.631 1.00 0.00 O ATOM 484 CB PRO A 38 -0.325 15.241 -10.815 1.00 0.00 C ATOM 485 CG PRO A 38 0.300 16.429 -10.170 1.00 0.00 C ATOM 486 CD PRO A 38 -0.356 16.563 -8.824 1.00 0.00 C ATOM 0 HA PRO A 38 -1.533 13.688 -9.809 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.351 14.781 -11.536 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.230 15.515 -11.356 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.377 16.296 -10.068 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.145 17.325 -10.770 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.333 16.960 -8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.211 17.239 -8.859 1.00 0.00 H new ATOM 494 N SER A 39 1.682 13.776 -9.162 1.00 0.00 N ATOM 495 CA SER A 39 2.844 12.916 -8.969 1.00 0.00 C ATOM 496 C SER A 39 3.616 13.319 -7.717 1.00 0.00 C ATOM 497 O SER A 39 4.772 13.740 -7.777 1.00 0.00 O ATOM 498 CB SER A 39 3.762 12.981 -10.191 1.00 0.00 C ATOM 499 OG SER A 39 4.304 14.281 -10.354 1.00 0.00 O ATOM 0 H SER A 39 1.867 14.770 -9.031 1.00 0.00 H new ATOM 0 HA SER A 39 2.491 11.893 -8.843 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.570 12.258 -10.081 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.204 12.702 -11.084 1.00 0.00 H new ATOM 0 HG SER A 39 4.788 14.538 -9.542 1.00 0.00 H new ATOM 505 N PRO A 40 2.964 13.188 -6.553 1.00 0.00 N ATOM 506 CA PRO A 40 3.569 13.532 -5.263 1.00 0.00 C ATOM 507 C PRO A 40 4.676 12.562 -4.864 1.00 0.00 C ATOM 508 O PRO A 40 5.093 11.723 -5.661 1.00 0.00 O ATOM 509 CB PRO A 40 2.396 13.436 -4.284 1.00 0.00 C ATOM 510 CG PRO A 40 1.446 12.483 -4.923 1.00 0.00 C ATOM 511 CD PRO A 40 1.585 12.692 -6.406 1.00 0.00 C ATOM 0 HA PRO A 40 4.045 14.512 -5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.723 13.075 -3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.933 14.410 -4.125 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.682 11.454 -4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.424 12.673 -4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.430 11.765 -6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.857 13.412 -6.780 1.00 0.00 H new ATOM 519 N GLN A 41 5.145 12.684 -3.627 1.00 0.00 N ATOM 520 CA GLN A 41 6.204 11.817 -3.124 1.00 0.00 C ATOM 521 C GLN A 41 5.620 10.595 -2.422 1.00 0.00 C ATOM 522 O GLN A 41 5.285 10.648 -1.239 1.00 0.00 O ATOM 523 CB GLN A 41 7.110 12.588 -2.161 1.00 0.00 C ATOM 524 CG GLN A 41 8.165 13.428 -2.861 1.00 0.00 C ATOM 525 CD GLN A 41 7.590 14.280 -3.975 1.00 0.00 C ATOM 526 OE1 GLN A 41 6.899 15.268 -3.724 1.00 0.00 O ATOM 527 NE2 GLN A 41 7.871 13.900 -5.216 1.00 0.00 N ATOM 0 H GLN A 41 4.809 13.374 -2.955 1.00 0.00 H new ATOM 0 HA GLN A 41 6.795 11.477 -3.975 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.495 13.237 -1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.604 11.881 -1.495 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.653 14.073 -2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.933 12.772 -3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.448 13.075 -5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.510 14.434 -6.007 1.00 0.00 H new ATOM 536 N ILE A 42 5.502 9.496 -3.160 1.00 0.00 N ATOM 537 CA ILE A 42 4.959 8.261 -2.608 1.00 0.00 C ATOM 538 C ILE A 42 6.047 7.438 -1.927 1.00 0.00 C ATOM 539 O ILE A 42 7.099 7.175 -2.512 1.00 0.00 O ATOM 540 CB ILE A 42 4.288 7.404 -3.698 1.00 0.00 C ATOM 541 CG1 ILE A 42 3.332 8.258 -4.532 1.00 0.00 C ATOM 542 CG2 ILE A 42 3.549 6.232 -3.070 1.00 0.00 C ATOM 543 CD1 ILE A 42 2.153 8.789 -3.746 1.00 0.00 C ATOM 0 H ILE A 42 5.775 9.436 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 42 4.209 8.548 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 42 5.062 7.010 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.883 9.097 -4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.963 7.664 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.080 5.636 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.254 5.613 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.783 6.607 -2.391 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.518 9.385 -4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.578 7.955 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.513 9.410 -2.926 1.00 0.00 H new ATOM 555 N HIS A 43 5.788 7.032 -0.689 1.00 0.00 N ATOM 556 CA HIS A 43 6.745 6.236 0.071 1.00 0.00 C ATOM 557 C HIS A 43 6.081 4.984 0.638 1.00 0.00 C ATOM 558 O HIS A 43 4.856 4.908 0.732 1.00 0.00 O ATOM 559 CB HIS A 43 7.345 7.067 1.206 1.00 0.00 C ATOM 560 CG HIS A 43 8.583 7.812 0.812 1.00 0.00 C ATOM 561 ND1 HIS A 43 8.582 9.150 0.478 1.00 0.00 N ATOM 562 CD2 HIS A 43 9.867 7.400 0.701 1.00 0.00 C ATOM 563 CE1 HIS A 43 9.811 9.528 0.177 1.00 0.00 C ATOM 564 NE2 HIS A 43 10.611 8.484 0.305 1.00 0.00 N ATOM 0 H HIS A 43 4.923 7.241 -0.190 1.00 0.00 H new ATOM 0 HA HIS A 43 7.543 5.929 -0.605 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.599 7.779 1.558 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.578 6.409 2.043 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.238 6.403 0.889 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.111 10.521 -0.123 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.617 8.484 0.137 1.00 0.00 H new ATOM 573 N TRP A 44 6.898 4.006 1.013 1.00 0.00 N ATOM 574 CA TRP A 44 6.389 2.758 1.570 1.00 0.00 C ATOM 575 C TRP A 44 7.031 2.463 2.921 1.00 0.00 C ATOM 576 O TRP A 44 8.254 2.389 3.034 1.00 0.00 O ATOM 577 CB TRP A 44 6.651 1.601 0.604 1.00 0.00 C ATOM 578 CG TRP A 44 5.973 1.769 -0.722 1.00 0.00 C ATOM 579 CD1 TRP A 44 6.567 2.070 -1.914 1.00 0.00 C ATOM 580 CD2 TRP A 44 4.571 1.648 -0.989 1.00 0.00 C ATOM 581 NE1 TRP A 44 5.619 2.143 -2.907 1.00 0.00 N ATOM 582 CE2 TRP A 44 4.387 1.888 -2.365 1.00 0.00 C ATOM 583 CE3 TRP A 44 3.454 1.359 -0.201 1.00 0.00 C ATOM 584 CZ2 TRP A 44 3.132 1.847 -2.966 1.00 0.00 C ATOM 585 CZ3 TRP A 44 2.209 1.320 -0.799 1.00 0.00 C ATOM 586 CH2 TRP A 44 2.056 1.562 -2.170 1.00 0.00 C ATOM 0 H TRP A 44 7.914 4.053 0.942 1.00 0.00 H new ATOM 0 HA TRP A 44 5.314 2.865 1.715 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.725 1.506 0.445 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.313 0.671 1.062 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.626 2.228 -2.056 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.803 2.353 -3.888 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.562 1.169 0.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.012 2.033 -4.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.339 1.099 -0.199 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.069 1.523 -2.608 1.00 0.00 H new ATOM 597 N MET A 45 6.198 2.295 3.943 1.00 0.00 N ATOM 598 CA MET A 45 6.686 2.007 5.286 1.00 0.00 C ATOM 599 C MET A 45 6.314 0.588 5.707 1.00 0.00 C ATOM 600 O MET A 45 5.347 0.014 5.207 1.00 0.00 O ATOM 601 CB MET A 45 6.115 3.014 6.287 1.00 0.00 C ATOM 602 CG MET A 45 6.521 4.450 6.002 1.00 0.00 C ATOM 603 SD MET A 45 5.935 5.600 7.261 1.00 0.00 S ATOM 604 CE MET A 45 7.036 5.206 8.618 1.00 0.00 C ATOM 0 H MET A 45 5.183 2.353 3.866 1.00 0.00 H new ATOM 0 HA MET A 45 7.773 2.092 5.276 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.027 2.944 6.280 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.445 2.744 7.290 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.607 4.510 5.938 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.127 4.749 5.031 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.390 6.128 9.079 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.502 4.612 9.360 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.887 4.638 8.243 1.00 0.00 H new ATOM 614 N LYS A 46 7.089 0.027 6.629 1.00 0.00 N ATOM 615 CA LYS A 46 6.842 -1.324 7.118 1.00 0.00 C ATOM 616 C LYS A 46 6.953 -1.382 8.638 1.00 0.00 C ATOM 617 O LYS A 46 8.053 -1.349 9.191 1.00 0.00 O ATOM 618 CB LYS A 46 7.831 -2.307 6.486 1.00 0.00 C ATOM 619 CG LYS A 46 7.273 -3.710 6.322 1.00 0.00 C ATOM 620 CD LYS A 46 8.168 -4.566 5.443 1.00 0.00 C ATOM 621 CE LYS A 46 7.875 -6.048 5.624 1.00 0.00 C ATOM 622 NZ LYS A 46 9.078 -6.887 5.367 1.00 0.00 N ATOM 0 H LYS A 46 7.894 0.488 7.053 1.00 0.00 H new ATOM 0 HA LYS A 46 5.828 -1.606 6.834 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.133 -1.929 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.729 -2.352 7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.168 -4.178 7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.276 -3.657 5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.024 -4.291 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.213 -4.369 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.518 -6.226 6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.074 -6.345 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.837 -7.890 5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.404 -6.736 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.834 -6.622 6.030 1.00 0.00 H new ATOM 636 N ASP A 47 5.809 -1.469 9.308 1.00 0.00 N ATOM 637 CA ASP A 47 5.779 -1.533 10.764 1.00 0.00 C ATOM 638 C ASP A 47 6.394 -0.279 11.377 1.00 0.00 C ATOM 639 O ASP A 47 6.890 -0.305 12.502 1.00 0.00 O ATOM 640 CB ASP A 47 6.525 -2.775 11.257 1.00 0.00 C ATOM 641 CG ASP A 47 6.559 -2.867 12.769 1.00 0.00 C ATOM 642 OD1 ASP A 47 5.497 -2.686 13.399 1.00 0.00 O ATOM 643 OD2 ASP A 47 7.650 -3.121 13.324 1.00 0.00 O ATOM 0 H ASP A 47 4.890 -1.497 8.866 1.00 0.00 H new ATOM 0 HA ASP A 47 4.737 -1.595 11.078 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.047 -3.667 10.852 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.545 -2.758 10.874 1.00 0.00 H new ATOM 648 N GLY A 48 6.358 0.819 10.627 1.00 0.00 N ATOM 649 CA GLY A 48 6.917 2.067 11.112 1.00 0.00 C ATOM 650 C GLY A 48 8.247 2.398 10.466 1.00 0.00 C ATOM 651 O GLY A 48 8.559 3.565 10.232 1.00 0.00 O ATOM 0 H GLY A 48 5.952 0.866 9.693 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.212 2.876 10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.047 2.007 12.193 1.00 0.00 H new ATOM 655 N VAL A 49 9.035 1.367 10.177 1.00 0.00 N ATOM 656 CA VAL A 49 10.340 1.553 9.554 1.00 0.00 C ATOM 657 C VAL A 49 10.256 1.388 8.041 1.00 0.00 C ATOM 658 O VAL A 49 9.723 0.403 7.528 1.00 0.00 O ATOM 659 CB VAL A 49 11.375 0.558 10.111 1.00 0.00 C ATOM 660 CG1 VAL A 49 10.955 -0.873 9.813 1.00 0.00 C ATOM 661 CG2 VAL A 49 12.754 0.847 9.538 1.00 0.00 C ATOM 0 H VAL A 49 8.792 0.394 10.364 1.00 0.00 H new ATOM 0 HA VAL A 49 10.660 2.568 9.788 1.00 0.00 H new ATOM 0 HB VAL A 49 11.423 0.679 11.193 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.699 -1.562 10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.989 -1.072 10.276 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.876 -1.012 8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.473 0.134 9.943 1.00 0.00 H new ATOM 0 HG22 VAL A 49 12.723 0.755 8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.055 1.859 9.808 1.00 0.00 H new ATOM 671 N PRO A 50 10.793 2.374 7.307 1.00 0.00 N ATOM 672 CA PRO A 50 10.792 2.360 5.841 1.00 0.00 C ATOM 673 C PRO A 50 11.722 1.296 5.271 1.00 0.00 C ATOM 674 O PRO A 50 12.598 0.783 5.969 1.00 0.00 O ATOM 675 CB PRO A 50 11.291 3.760 5.473 1.00 0.00 C ATOM 676 CG PRO A 50 12.099 4.195 6.647 1.00 0.00 C ATOM 677 CD PRO A 50 11.444 3.577 7.852 1.00 0.00 C ATOM 0 HA PRO A 50 9.808 2.123 5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.892 3.740 4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.460 4.441 5.290 1.00 0.00 H new ATOM 0 HG2 PRO A 50 13.134 3.865 6.553 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.117 5.282 6.727 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.174 3.325 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.721 4.254 8.308 1.00 0.00 H new ATOM 685 N LEU A 51 11.527 0.967 3.998 1.00 0.00 N ATOM 686 CA LEU A 51 12.350 -0.037 3.333 1.00 0.00 C ATOM 687 C LEU A 51 13.190 0.593 2.227 1.00 0.00 C ATOM 688 O LEU A 51 12.793 1.570 1.592 1.00 0.00 O ATOM 689 CB LEU A 51 11.468 -1.144 2.751 1.00 0.00 C ATOM 690 CG LEU A 51 10.418 -1.730 3.695 1.00 0.00 C ATOM 691 CD1 LEU A 51 9.216 -2.232 2.910 1.00 0.00 C ATOM 692 CD2 LEU A 51 11.018 -2.852 4.530 1.00 0.00 C ATOM 0 H LEU A 51 10.806 1.381 3.406 1.00 0.00 H new ATOM 0 HA LEU A 51 13.023 -0.468 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.958 -0.750 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.113 -1.954 2.410 1.00 0.00 H new ATOM 0 HG LEU A 51 10.083 -0.942 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.479 -2.646 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.772 -1.405 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.535 -3.006 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.256 -3.257 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.381 -3.641 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.847 -2.462 5.121 1.00 0.00 H new ATOM 704 N PRO A 52 14.380 0.020 1.988 1.00 0.00 N ATOM 705 CA PRO A 52 15.300 0.508 0.956 1.00 0.00 C ATOM 706 C PRO A 52 14.780 0.247 -0.454 1.00 0.00 C ATOM 707 O PRO A 52 15.155 -0.738 -1.092 1.00 0.00 O ATOM 708 CB PRO A 52 16.577 -0.295 1.212 1.00 0.00 C ATOM 709 CG PRO A 52 16.114 -1.541 1.884 1.00 0.00 C ATOM 710 CD PRO A 52 14.917 -1.147 2.706 1.00 0.00 C ATOM 0 HA PRO A 52 15.440 1.587 1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.098 -0.518 0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.273 0.259 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.851 -2.305 1.152 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.899 -1.960 2.513 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.187 -1.954 2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.197 -0.896 3.729 1.00 0.00 H new ATOM 718 N LEU A 53 13.917 1.135 -0.935 1.00 0.00 N ATOM 719 CA LEU A 53 13.346 1.001 -2.271 1.00 0.00 C ATOM 720 C LEU A 53 12.927 2.359 -2.823 1.00 0.00 C ATOM 721 O LEU A 53 12.651 3.301 -2.079 1.00 0.00 O ATOM 722 CB LEU A 53 12.144 0.056 -2.241 1.00 0.00 C ATOM 723 CG LEU A 53 12.459 -1.426 -2.036 1.00 0.00 C ATOM 724 CD1 LEU A 53 11.185 -2.210 -1.761 1.00 0.00 C ATOM 725 CD2 LEU A 53 13.183 -1.990 -3.250 1.00 0.00 C ATOM 0 H LEU A 53 13.597 1.955 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 53 14.111 0.584 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.474 0.378 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.599 0.164 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 53 13.114 -1.522 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.429 -3.263 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.707 -1.823 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.505 -2.107 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.399 -3.046 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.553 -1.881 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.116 -1.448 -3.401 1.00 0.00 H new ATOM 737 N PRO A 54 12.874 2.465 -4.159 1.00 0.00 N ATOM 738 CA PRO A 54 12.486 3.704 -4.840 1.00 0.00 C ATOM 739 C PRO A 54 11.007 4.026 -4.658 1.00 0.00 C ATOM 740 O PRO A 54 10.142 3.153 -4.738 1.00 0.00 O ATOM 741 CB PRO A 54 12.792 3.411 -6.311 1.00 0.00 C ATOM 742 CG PRO A 54 12.713 1.928 -6.426 1.00 0.00 C ATOM 743 CD PRO A 54 13.189 1.384 -5.107 1.00 0.00 C ATOM 0 HA PRO A 54 13.017 4.570 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.073 3.898 -6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.780 3.778 -6.591 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.693 1.607 -6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.335 1.566 -7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.676 0.458 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.256 1.163 -5.125 1.00 0.00 H new ATOM 751 N PRO A 55 10.706 5.309 -4.408 1.00 0.00 N ATOM 752 CA PRO A 55 9.331 5.776 -4.211 1.00 0.00 C ATOM 753 C PRO A 55 8.514 5.734 -5.498 1.00 0.00 C ATOM 754 O PRO A 55 8.942 6.244 -6.533 1.00 0.00 O ATOM 755 CB PRO A 55 9.511 7.222 -3.740 1.00 0.00 C ATOM 756 CG PRO A 55 10.829 7.639 -4.293 1.00 0.00 C ATOM 757 CD PRO A 55 11.686 6.403 -4.299 1.00 0.00 C ATOM 0 HA PRO A 55 8.785 5.148 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.708 7.861 -4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.499 7.288 -2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.720 8.043 -5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.278 8.422 -3.682 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.384 6.402 -5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 55 12.280 6.321 -3.389 1.00 0.00 H new ATOM 765 N SER A 56 7.336 5.123 -5.426 1.00 0.00 N ATOM 766 CA SER A 56 6.460 5.011 -6.586 1.00 0.00 C ATOM 767 C SER A 56 5.032 4.686 -6.160 1.00 0.00 C ATOM 768 O SER A 56 4.794 3.978 -5.181 1.00 0.00 O ATOM 769 CB SER A 56 6.977 3.932 -7.540 1.00 0.00 C ATOM 770 OG SER A 56 6.031 3.654 -8.557 1.00 0.00 O ATOM 0 H SER A 56 6.966 4.698 -4.576 1.00 0.00 H new ATOM 0 HA SER A 56 6.457 5.971 -7.101 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.914 4.259 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.193 3.021 -6.981 1.00 0.00 H new ATOM 0 HG SER A 56 6.386 2.963 -9.154 1.00 0.00 H new ATOM 776 N PRO A 57 4.056 5.216 -6.912 1.00 0.00 N ATOM 777 CA PRO A 57 2.633 4.997 -6.633 1.00 0.00 C ATOM 778 C PRO A 57 2.202 3.561 -6.912 1.00 0.00 C ATOM 779 O PRO A 57 1.025 3.221 -6.793 1.00 0.00 O ATOM 780 CB PRO A 57 1.931 5.961 -7.592 1.00 0.00 C ATOM 781 CG PRO A 57 2.896 6.154 -8.710 1.00 0.00 C ATOM 782 CD PRO A 57 4.266 6.069 -8.094 1.00 0.00 C ATOM 0 HA PRO A 57 2.393 5.167 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.988 5.547 -7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.698 6.907 -7.102 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.764 5.389 -9.476 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.745 7.119 -9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.989 5.631 -8.782 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.644 7.053 -7.817 1.00 0.00 H new ATOM 790 N VAL A 58 3.164 2.721 -7.282 1.00 0.00 N ATOM 791 CA VAL A 58 2.883 1.320 -7.576 1.00 0.00 C ATOM 792 C VAL A 58 4.002 0.418 -7.068 1.00 0.00 C ATOM 793 O VAL A 58 5.081 0.355 -7.659 1.00 0.00 O ATOM 794 CB VAL A 58 2.700 1.090 -9.088 1.00 0.00 C ATOM 795 CG1 VAL A 58 2.398 -0.374 -9.372 1.00 0.00 C ATOM 796 CG2 VAL A 58 1.597 1.985 -9.633 1.00 0.00 C ATOM 0 H VAL A 58 4.144 2.986 -7.385 1.00 0.00 H new ATOM 0 HA VAL A 58 1.955 1.068 -7.063 1.00 0.00 H new ATOM 0 HB VAL A 58 3.630 1.350 -9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.272 -0.518 -10.445 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.224 -0.991 -9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.482 -0.663 -8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.481 1.809 -10.703 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.660 1.758 -9.124 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.859 3.029 -9.463 1.00 0.00 H new ATOM 806 N LEU A 59 3.738 -0.280 -5.968 1.00 0.00 N ATOM 807 CA LEU A 59 4.723 -1.181 -5.380 1.00 0.00 C ATOM 808 C LEU A 59 4.316 -2.637 -5.578 1.00 0.00 C ATOM 809 O LEU A 59 3.273 -3.073 -5.089 1.00 0.00 O ATOM 810 CB LEU A 59 4.887 -0.884 -3.888 1.00 0.00 C ATOM 811 CG LEU A 59 5.471 -2.014 -3.039 1.00 0.00 C ATOM 812 CD1 LEU A 59 6.832 -2.433 -3.572 1.00 0.00 C ATOM 813 CD2 LEU A 59 5.575 -1.587 -1.582 1.00 0.00 C ATOM 0 H LEU A 59 2.851 -0.239 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 59 5.675 -1.018 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.527 -0.008 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.911 -0.618 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 59 4.801 -2.871 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.232 -3.238 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.729 -2.780 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.512 -1.582 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.992 -2.403 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.224 -0.714 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.584 -1.337 -1.204 1.00 0.00 H new ATOM 825 N ILE A 60 5.146 -3.385 -6.297 1.00 0.00 N ATOM 826 CA ILE A 60 4.873 -4.794 -6.557 1.00 0.00 C ATOM 827 C ILE A 60 5.750 -5.692 -5.691 1.00 0.00 C ATOM 828 O ILE A 60 6.979 -5.619 -5.746 1.00 0.00 O ATOM 829 CB ILE A 60 5.101 -5.147 -8.038 1.00 0.00 C ATOM 830 CG1 ILE A 60 4.334 -4.177 -8.940 1.00 0.00 C ATOM 831 CG2 ILE A 60 4.675 -6.582 -8.312 1.00 0.00 C ATOM 832 CD1 ILE A 60 5.058 -2.870 -9.175 1.00 0.00 C ATOM 0 H ILE A 60 6.012 -3.040 -6.710 1.00 0.00 H new ATOM 0 HA ILE A 60 3.825 -4.964 -6.309 1.00 0.00 H new ATOM 0 HB ILE A 60 6.165 -5.055 -8.259 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.147 -4.657 -9.900 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.362 -3.969 -8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.842 -6.817 -9.363 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.260 -7.260 -7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.617 -6.698 -8.078 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.456 -2.232 -9.822 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.221 -2.368 -8.221 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.019 -3.067 -9.651 1.00 0.00 H new ATOM 844 N LEU A 61 5.112 -6.541 -4.893 1.00 0.00 N ATOM 845 CA LEU A 61 5.834 -7.457 -4.016 1.00 0.00 C ATOM 846 C LEU A 61 5.739 -8.890 -4.529 1.00 0.00 C ATOM 847 O LEU A 61 4.979 -9.711 -4.015 1.00 0.00 O ATOM 848 CB LEU A 61 5.279 -7.375 -2.593 1.00 0.00 C ATOM 849 CG LEU A 61 6.268 -7.681 -1.468 1.00 0.00 C ATOM 850 CD1 LEU A 61 7.438 -6.711 -1.507 1.00 0.00 C ATOM 851 CD2 LEU A 61 5.572 -7.627 -0.116 1.00 0.00 C ATOM 0 H LEU A 61 4.096 -6.614 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 61 6.883 -7.162 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.881 -6.372 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.441 -8.067 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 61 6.654 -8.690 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.131 -6.944 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.953 -6.800 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.070 -5.692 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.291 -7.847 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.156 -6.631 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.769 -8.363 -0.091 1.00 0.00 H new ATOM 863 N PRO A 62 6.531 -9.201 -5.566 1.00 0.00 N ATOM 864 CA PRO A 62 6.557 -10.537 -6.170 1.00 0.00 C ATOM 865 C PRO A 62 7.188 -11.576 -5.250 1.00 0.00 C ATOM 866 O PRO A 62 8.092 -11.264 -4.476 1.00 0.00 O ATOM 867 CB PRO A 62 7.412 -10.342 -7.425 1.00 0.00 C ATOM 868 CG PRO A 62 8.280 -9.172 -7.114 1.00 0.00 C ATOM 869 CD PRO A 62 7.462 -8.273 -6.230 1.00 0.00 C ATOM 0 HA PRO A 62 5.554 -10.912 -6.376 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.007 -11.230 -7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.792 -10.153 -8.301 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.194 -9.487 -6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.580 -8.655 -8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.085 -7.744 -5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.931 -7.516 -6.808 1.00 0.00 H new ATOM 877 N GLU A 63 6.706 -12.812 -5.342 1.00 0.00 N ATOM 878 CA GLU A 63 7.225 -13.896 -4.517 1.00 0.00 C ATOM 879 C GLU A 63 7.022 -13.597 -3.034 1.00 0.00 C ATOM 880 O GLU A 63 7.973 -13.611 -2.252 1.00 0.00 O ATOM 881 CB GLU A 63 8.711 -14.120 -4.805 1.00 0.00 C ATOM 882 CG GLU A 63 8.971 -14.934 -6.062 1.00 0.00 C ATOM 883 CD GLU A 63 8.926 -14.091 -7.322 1.00 0.00 C ATOM 884 OE1 GLU A 63 9.869 -13.302 -7.543 1.00 0.00 O ATOM 885 OE2 GLU A 63 7.948 -14.221 -8.087 1.00 0.00 O ATOM 0 H GLU A 63 5.958 -13.087 -5.979 1.00 0.00 H new ATOM 0 HA GLU A 63 6.674 -14.803 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.204 -13.153 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.165 -14.627 -3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.947 -15.413 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.230 -15.730 -6.135 1.00 0.00 H new ATOM 892 N ILE A 64 5.778 -13.326 -2.656 1.00 0.00 N ATOM 893 CA ILE A 64 5.450 -13.023 -1.269 1.00 0.00 C ATOM 894 C ILE A 64 5.556 -14.269 -0.395 1.00 0.00 C ATOM 895 O ILE A 64 5.289 -15.381 -0.847 1.00 0.00 O ATOM 896 CB ILE A 64 4.031 -12.438 -1.140 1.00 0.00 C ATOM 897 CG1 ILE A 64 4.068 -10.916 -1.295 1.00 0.00 C ATOM 898 CG2 ILE A 64 3.419 -12.825 0.198 1.00 0.00 C ATOM 899 CD1 ILE A 64 2.735 -10.317 -1.685 1.00 0.00 C ATOM 0 H ILE A 64 4.980 -13.310 -3.291 1.00 0.00 H new ATOM 0 HA ILE A 64 6.172 -12.280 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 64 3.409 -12.850 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.397 -10.471 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.810 -10.653 -2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.416 -12.404 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.364 -13.911 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.038 -12.437 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.835 -9.236 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.414 -10.734 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.994 -10.549 -0.920 1.00 0.00 H new ATOM 911 N GLY A 65 5.946 -14.073 0.861 1.00 0.00 N ATOM 912 CA GLY A 65 6.078 -15.189 1.779 1.00 0.00 C ATOM 913 C GLY A 65 5.690 -14.821 3.198 1.00 0.00 C ATOM 914 O GLY A 65 4.953 -13.864 3.434 1.00 0.00 O ATOM 0 H GLY A 65 6.173 -13.162 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.452 -16.013 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.108 -15.545 1.768 1.00 0.00 H new ATOM 918 N PRO A 66 6.190 -15.596 4.172 1.00 0.00 N ATOM 919 CA PRO A 66 5.904 -15.367 5.591 1.00 0.00 C ATOM 920 C PRO A 66 6.570 -14.101 6.120 1.00 0.00 C ATOM 921 O PRO A 66 6.034 -13.429 7.001 1.00 0.00 O ATOM 922 CB PRO A 66 6.488 -16.605 6.275 1.00 0.00 C ATOM 923 CG PRO A 66 7.554 -17.081 5.350 1.00 0.00 C ATOM 924 CD PRO A 66 7.075 -16.754 3.963 1.00 0.00 C ATOM 0 HA PRO A 66 4.839 -15.225 5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.895 -16.360 7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.726 -17.369 6.428 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.503 -16.588 5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.719 -18.152 5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.904 -16.511 3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.541 -17.592 3.514 1.00 0.00 H new ATOM 932 N GLN A 67 7.741 -13.783 5.577 1.00 0.00 N ATOM 933 CA GLN A 67 8.480 -12.598 5.996 1.00 0.00 C ATOM 934 C GLN A 67 7.817 -11.329 5.470 1.00 0.00 C ATOM 935 O GLN A 67 7.812 -10.296 6.139 1.00 0.00 O ATOM 936 CB GLN A 67 9.926 -12.673 5.505 1.00 0.00 C ATOM 937 CG GLN A 67 10.059 -12.610 3.992 1.00 0.00 C ATOM 938 CD GLN A 67 11.472 -12.891 3.518 1.00 0.00 C ATOM 939 OE1 GLN A 67 12.304 -11.987 3.442 1.00 0.00 O ATOM 940 NE2 GLN A 67 11.750 -14.149 3.198 1.00 0.00 N ATOM 0 H GLN A 67 8.198 -14.329 4.847 1.00 0.00 H new ATOM 0 HA GLN A 67 8.475 -12.564 7.085 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.493 -11.853 5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.375 -13.600 5.863 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.378 -13.332 3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.753 -11.623 3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.029 -14.866 3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.684 -14.398 2.874 1.00 0.00 H new ATOM 949 N ASP A 68 7.258 -11.415 4.268 1.00 0.00 N ATOM 950 CA ASP A 68 6.591 -10.273 3.651 1.00 0.00 C ATOM 951 C ASP A 68 5.434 -9.787 4.518 1.00 0.00 C ATOM 952 O ASP A 68 5.201 -8.585 4.640 1.00 0.00 O ATOM 953 CB ASP A 68 6.081 -10.645 2.258 1.00 0.00 C ATOM 954 CG ASP A 68 7.202 -11.038 1.316 1.00 0.00 C ATOM 955 OD1 ASP A 68 7.912 -12.020 1.616 1.00 0.00 O ATOM 956 OD2 ASP A 68 7.368 -10.363 0.279 1.00 0.00 O ATOM 0 H ASP A 68 7.253 -12.263 3.701 1.00 0.00 H new ATOM 0 HA ASP A 68 7.317 -9.465 3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.375 -11.471 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.536 -9.801 1.837 1.00 0.00 H new ATOM 961 N GLN A 69 4.713 -10.730 5.116 1.00 0.00 N ATOM 962 CA GLN A 69 3.579 -10.396 5.970 1.00 0.00 C ATOM 963 C GLN A 69 3.905 -9.210 6.871 1.00 0.00 C ATOM 964 O GLN A 69 4.986 -9.139 7.454 1.00 0.00 O ATOM 965 CB GLN A 69 3.182 -11.604 6.821 1.00 0.00 C ATOM 966 CG GLN A 69 2.599 -12.752 6.013 1.00 0.00 C ATOM 967 CD GLN A 69 2.176 -13.921 6.882 1.00 0.00 C ATOM 968 OE1 GLN A 69 0.985 -14.176 7.062 1.00 0.00 O ATOM 969 NE2 GLN A 69 3.152 -14.638 7.425 1.00 0.00 N ATOM 0 H GLN A 69 4.893 -11.730 5.025 1.00 0.00 H new ATOM 0 HA GLN A 69 2.742 -10.121 5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.058 -11.960 7.363 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.453 -11.288 7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.738 -12.394 5.448 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.337 -13.092 5.287 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.126 -14.390 7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.928 -15.437 8.019 1.00 0.00 H new ATOM 978 N GLY A 70 2.963 -8.278 6.980 1.00 0.00 N ATOM 979 CA GLY A 70 3.170 -7.107 7.811 1.00 0.00 C ATOM 980 C GLY A 70 2.285 -5.945 7.406 1.00 0.00 C ATOM 981 O GLY A 70 1.455 -6.070 6.505 1.00 0.00 O ATOM 0 H GLY A 70 2.060 -8.313 6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.973 -7.364 8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.215 -6.802 7.750 1.00 0.00 H new ATOM 985 N THR A 71 2.460 -4.809 8.074 1.00 0.00 N ATOM 986 CA THR A 71 1.669 -3.620 7.781 1.00 0.00 C ATOM 987 C THR A 71 2.312 -2.791 6.675 1.00 0.00 C ATOM 988 O THR A 71 3.532 -2.628 6.637 1.00 0.00 O ATOM 989 CB THR A 71 1.495 -2.739 9.033 1.00 0.00 C ATOM 990 OG1 THR A 71 2.712 -2.711 9.786 1.00 0.00 O ATOM 991 CG2 THR A 71 0.363 -3.258 9.907 1.00 0.00 C ATOM 0 H THR A 71 3.143 -4.687 8.822 1.00 0.00 H new ATOM 0 HA THR A 71 0.690 -3.965 7.450 1.00 0.00 H new ATOM 0 HB THR A 71 1.247 -1.729 8.707 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.593 -2.148 10.579 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.259 -2.620 10.785 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.568 -3.249 9.340 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.586 -4.277 10.223 1.00 0.00 H new ATOM 999 N TYR A 72 1.484 -2.268 5.777 1.00 0.00 N ATOM 1000 CA TYR A 72 1.973 -1.457 4.669 1.00 0.00 C ATOM 1001 C TYR A 72 1.150 -0.180 4.525 1.00 0.00 C ATOM 1002 O TYR A 72 -0.078 -0.207 4.604 1.00 0.00 O ATOM 1003 CB TYR A 72 1.928 -2.256 3.366 1.00 0.00 C ATOM 1004 CG TYR A 72 3.020 -3.296 3.255 1.00 0.00 C ATOM 1005 CD1 TYR A 72 2.870 -4.553 3.828 1.00 0.00 C ATOM 1006 CD2 TYR A 72 4.201 -3.021 2.577 1.00 0.00 C ATOM 1007 CE1 TYR A 72 3.866 -5.505 3.729 1.00 0.00 C ATOM 1008 CE2 TYR A 72 5.201 -3.968 2.472 1.00 0.00 C ATOM 1009 CZ TYR A 72 5.029 -5.208 3.051 1.00 0.00 C ATOM 1010 OH TYR A 72 6.023 -6.155 2.950 1.00 0.00 O ATOM 0 H TYR A 72 0.472 -2.391 5.795 1.00 0.00 H new ATOM 0 HA TYR A 72 3.006 -1.180 4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.959 -2.749 3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.007 -1.568 2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.960 -4.789 4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.340 -2.050 2.124 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.734 -6.477 4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.112 -3.739 1.940 1.00 0.00 H new ATOM 0 HH TYR A 72 5.750 -6.968 3.425 1.00 0.00 H new ATOM 1020 N SER A 73 1.836 0.938 4.311 1.00 0.00 N ATOM 1021 CA SER A 73 1.171 2.226 4.158 1.00 0.00 C ATOM 1022 C SER A 73 1.901 3.097 3.140 1.00 0.00 C ATOM 1023 O SER A 73 3.090 2.909 2.883 1.00 0.00 O ATOM 1024 CB SER A 73 1.098 2.949 5.505 1.00 0.00 C ATOM 1025 OG SER A 73 0.804 4.324 5.330 1.00 0.00 O ATOM 0 H SER A 73 2.853 0.978 4.240 1.00 0.00 H new ATOM 0 HA SER A 73 0.159 2.044 3.795 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.333 2.487 6.128 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.046 2.841 6.031 1.00 0.00 H new ATOM 0 HG SER A 73 -0.131 4.492 5.571 1.00 0.00 H new ATOM 1031 N CYS A 74 1.179 4.052 2.562 1.00 0.00 N ATOM 1032 CA CYS A 74 1.755 4.953 1.571 1.00 0.00 C ATOM 1033 C CYS A 74 1.719 6.397 2.063 1.00 0.00 C ATOM 1034 O CYS A 74 0.688 6.879 2.532 1.00 0.00 O ATOM 1035 CB CYS A 74 1.000 4.835 0.245 1.00 0.00 C ATOM 1036 SG CYS A 74 -0.431 5.953 0.103 1.00 0.00 S ATOM 0 H CYS A 74 0.194 4.222 2.763 1.00 0.00 H new ATOM 0 HA CYS A 74 2.795 4.666 1.416 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.690 5.040 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.658 3.807 0.124 1.00 0.00 H new ATOM 1041 N VAL A 75 2.853 7.082 1.952 1.00 0.00 N ATOM 1042 CA VAL A 75 2.952 8.471 2.384 1.00 0.00 C ATOM 1043 C VAL A 75 2.980 9.417 1.189 1.00 0.00 C ATOM 1044 O VAL A 75 3.606 9.127 0.170 1.00 0.00 O ATOM 1045 CB VAL A 75 4.211 8.704 3.240 1.00 0.00 C ATOM 1046 CG1 VAL A 75 4.266 10.144 3.729 1.00 0.00 C ATOM 1047 CG2 VAL A 75 4.247 7.733 4.410 1.00 0.00 C ATOM 0 H VAL A 75 3.716 6.698 1.567 1.00 0.00 H new ATOM 0 HA VAL A 75 2.068 8.679 2.987 1.00 0.00 H new ATOM 0 HB VAL A 75 5.089 8.523 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.162 10.290 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.291 10.818 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.384 10.357 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.143 7.912 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.364 7.880 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.259 6.710 4.034 1.00 0.00 H new ATOM 1057 N ALA A 76 2.299 10.550 1.322 1.00 0.00 N ATOM 1058 CA ALA A 76 2.248 11.541 0.254 1.00 0.00 C ATOM 1059 C ALA A 76 2.735 12.901 0.744 1.00 0.00 C ATOM 1060 O ALA A 76 2.083 13.922 0.523 1.00 0.00 O ATOM 1061 CB ALA A 76 0.834 11.651 -0.297 1.00 0.00 C ATOM 0 H ALA A 76 1.775 10.805 2.159 1.00 0.00 H new ATOM 0 HA ALA A 76 2.913 11.213 -0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.811 12.395 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.522 10.685 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.155 11.953 0.501 1.00 0.00 H new ATOM 1067 N THR A 77 3.885 12.908 1.410 1.00 0.00 N ATOM 1068 CA THR A 77 4.458 14.143 1.933 1.00 0.00 C ATOM 1069 C THR A 77 4.785 15.117 0.807 1.00 0.00 C ATOM 1070 O THR A 77 4.795 14.744 -0.367 1.00 0.00 O ATOM 1071 CB THR A 77 5.737 13.868 2.746 1.00 0.00 C ATOM 1072 OG1 THR A 77 6.178 15.071 3.386 1.00 0.00 O ATOM 1073 CG2 THR A 77 6.843 13.329 1.850 1.00 0.00 C ATOM 0 H THR A 77 4.438 12.073 1.600 1.00 0.00 H new ATOM 0 HA THR A 77 3.708 14.587 2.588 1.00 0.00 H new ATOM 0 HB THR A 77 5.506 13.118 3.502 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.991 14.888 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.736 13.142 2.446 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.515 12.398 1.387 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.071 14.060 1.074 1.00 0.00 H new ATOM 1081 N HIS A 78 5.052 16.367 1.171 1.00 0.00 N ATOM 1082 CA HIS A 78 5.381 17.395 0.190 1.00 0.00 C ATOM 1083 C HIS A 78 5.931 18.643 0.875 1.00 0.00 C ATOM 1084 O HIS A 78 6.135 18.658 2.089 1.00 0.00 O ATOM 1085 CB HIS A 78 4.146 17.755 -0.636 1.00 0.00 C ATOM 1086 CG HIS A 78 2.907 17.932 0.185 1.00 0.00 C ATOM 1087 ND1 HIS A 78 2.649 18.748 1.234 1.00 0.00 N flip ATOM 1088 CD2 HIS A 78 1.748 17.218 -0.036 1.00 0.00 C flip ATOM 1089 CE1 HIS A 78 1.353 18.515 1.622 1.00 0.00 C flip ATOM 1090 NE2 HIS A 78 0.831 17.588 0.840 1.00 0.00 N flip ATOM 0 H HIS A 78 5.047 16.693 2.138 1.00 0.00 H new ATOM 0 HA HIS A 78 6.149 16.997 -0.473 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.342 18.676 -1.185 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.973 16.973 -1.376 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.611 16.472 -0.805 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.843 19.010 2.435 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -0.118 17.220 0.902 1.00 0.00 H new ATOM 1099 N SER A 79 6.170 19.687 0.088 1.00 0.00 N ATOM 1100 CA SER A 79 6.701 20.938 0.617 1.00 0.00 C ATOM 1101 C SER A 79 6.051 21.280 1.955 1.00 0.00 C ATOM 1102 O SER A 79 6.738 21.555 2.939 1.00 0.00 O ATOM 1103 CB SER A 79 6.473 22.076 -0.379 1.00 0.00 C ATOM 1104 OG SER A 79 6.810 23.329 0.191 1.00 0.00 O ATOM 0 H SER A 79 6.004 19.691 -0.918 1.00 0.00 H new ATOM 0 HA SER A 79 7.772 20.812 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.073 21.907 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.429 22.085 -0.693 1.00 0.00 H new ATOM 0 HG SER A 79 6.657 24.039 -0.467 1.00 0.00 H new ATOM 1110 N SER A 80 4.723 21.262 1.982 1.00 0.00 N ATOM 1111 CA SER A 80 3.979 21.574 3.197 1.00 0.00 C ATOM 1112 C SER A 80 3.889 20.354 4.108 1.00 0.00 C ATOM 1113 O SER A 80 2.912 20.179 4.837 1.00 0.00 O ATOM 1114 CB SER A 80 2.573 22.068 2.847 1.00 0.00 C ATOM 1115 OG SER A 80 2.611 23.384 2.323 1.00 0.00 O ATOM 0 H SER A 80 4.140 21.035 1.177 1.00 0.00 H new ATOM 0 HA SER A 80 4.513 22.363 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.119 21.396 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.944 22.046 3.737 1.00 0.00 H new ATOM 0 HG SER A 80 1.701 23.676 2.106 1.00 0.00 H new ATOM 1121 N HIS A 81 4.917 19.512 4.061 1.00 0.00 N ATOM 1122 CA HIS A 81 4.956 18.307 4.882 1.00 0.00 C ATOM 1123 C HIS A 81 3.546 17.795 5.164 1.00 0.00 C ATOM 1124 O HIS A 81 3.166 17.594 6.316 1.00 0.00 O ATOM 1125 CB HIS A 81 5.682 18.584 6.199 1.00 0.00 C ATOM 1126 CG HIS A 81 5.335 19.909 6.806 1.00 0.00 C ATOM 1127 ND1 HIS A 81 5.890 21.099 6.385 1.00 0.00 N ATOM 1128 CD2 HIS A 81 4.483 20.227 7.809 1.00 0.00 C ATOM 1129 CE1 HIS A 81 5.395 22.091 7.103 1.00 0.00 C ATOM 1130 NE2 HIS A 81 4.538 21.589 7.974 1.00 0.00 N ATOM 0 H HIS A 81 5.733 19.642 3.463 1.00 0.00 H new ATOM 0 HA HIS A 81 5.499 17.540 4.330 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.442 17.794 6.910 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.758 18.543 6.027 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.873 19.538 8.374 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.648 23.135 6.996 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.004 22.126 8.658 1.00 0.00 H new ATOM 1139 N GLY A 82 2.774 17.587 4.101 1.00 0.00 N ATOM 1140 CA GLY A 82 1.415 17.102 4.255 1.00 0.00 C ATOM 1141 C GLY A 82 1.248 15.678 3.762 1.00 0.00 C ATOM 1142 O GLY A 82 0.547 15.416 2.784 1.00 0.00 O ATOM 0 H GLY A 82 3.066 17.746 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.131 17.155 5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.735 17.755 3.707 1.00 0.00 H new ATOM 1146 N PRO A 83 1.904 14.730 4.446 1.00 0.00 N ATOM 1147 CA PRO A 83 1.842 13.310 4.089 1.00 0.00 C ATOM 1148 C PRO A 83 0.472 12.701 4.368 1.00 0.00 C ATOM 1149 O PRO A 83 0.047 12.611 5.520 1.00 0.00 O ATOM 1150 CB PRO A 83 2.904 12.671 4.987 1.00 0.00 C ATOM 1151 CG PRO A 83 3.014 13.588 6.155 1.00 0.00 C ATOM 1152 CD PRO A 83 2.758 14.971 5.621 1.00 0.00 C ATOM 0 HA PRO A 83 2.012 13.150 3.024 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.609 11.669 5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.857 12.576 4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.289 13.327 6.926 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.002 13.522 6.611 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.259 15.600 6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.685 15.474 5.347 1.00 0.00 H new ATOM 1160 N GLN A 84 -0.213 12.285 3.308 1.00 0.00 N ATOM 1161 CA GLN A 84 -1.536 11.686 3.441 1.00 0.00 C ATOM 1162 C GLN A 84 -1.429 10.208 3.804 1.00 0.00 C ATOM 1163 O GLN A 84 -2.194 9.381 3.307 1.00 0.00 O ATOM 1164 CB GLN A 84 -2.326 11.849 2.142 1.00 0.00 C ATOM 1165 CG GLN A 84 -3.828 11.947 2.352 1.00 0.00 C ATOM 1166 CD GLN A 84 -4.289 13.366 2.619 1.00 0.00 C ATOM 1167 OE1 GLN A 84 -3.701 14.326 2.120 1.00 0.00 O ATOM 1168 NE2 GLN A 84 -5.345 13.507 3.412 1.00 0.00 N ATOM 0 H GLN A 84 0.126 12.352 2.348 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.062 12.202 4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.980 12.745 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.113 11.003 1.488 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.340 11.563 1.470 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.116 11.312 3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.802 12.684 3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.699 14.439 3.629 1.00 0.00 H new ATOM 1177 N GLU A 85 -0.476 9.883 4.672 1.00 0.00 N ATOM 1178 CA GLU A 85 -0.270 8.505 5.099 1.00 0.00 C ATOM 1179 C GLU A 85 -1.594 7.746 5.147 1.00 0.00 C ATOM 1180 O GLU A 85 -2.433 7.995 6.013 1.00 0.00 O ATOM 1181 CB GLU A 85 0.402 8.468 6.473 1.00 0.00 C ATOM 1182 CG GLU A 85 1.065 7.138 6.791 1.00 0.00 C ATOM 1183 CD GLU A 85 2.011 7.226 7.973 1.00 0.00 C ATOM 1184 OE1 GLU A 85 2.574 8.317 8.203 1.00 0.00 O ATOM 1185 OE2 GLU A 85 2.189 6.203 8.667 1.00 0.00 O ATOM 0 H GLU A 85 0.165 10.555 5.093 1.00 0.00 H new ATOM 0 HA GLU A 85 0.381 8.020 4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.151 9.259 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.343 8.685 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.296 6.394 7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.614 6.792 5.916 1.00 0.00 H new ATOM 1192 N SER A 86 -1.773 6.821 4.210 1.00 0.00 N ATOM 1193 CA SER A 86 -2.996 6.028 4.143 1.00 0.00 C ATOM 1194 C SER A 86 -3.073 5.049 5.310 1.00 0.00 C ATOM 1195 O SER A 86 -2.160 4.970 6.131 1.00 0.00 O ATOM 1196 CB SER A 86 -3.062 5.267 2.817 1.00 0.00 C ATOM 1197 OG SER A 86 -2.019 4.312 2.725 1.00 0.00 O ATOM 0 H SER A 86 -1.088 6.602 3.487 1.00 0.00 H new ATOM 0 HA SER A 86 -3.846 6.708 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.026 4.767 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.990 5.970 1.987 1.00 0.00 H new ATOM 0 HG SER A 86 -2.084 3.838 1.870 1.00 0.00 H new ATOM 1203 N ARG A 87 -4.172 4.303 5.376 1.00 0.00 N ATOM 1204 CA ARG A 87 -4.371 3.329 6.442 1.00 0.00 C ATOM 1205 C ARG A 87 -3.304 2.240 6.390 1.00 0.00 C ATOM 1206 O ARG A 87 -2.523 2.168 5.442 1.00 0.00 O ATOM 1207 CB ARG A 87 -5.762 2.701 6.335 1.00 0.00 C ATOM 1208 CG ARG A 87 -6.862 3.549 6.951 1.00 0.00 C ATOM 1209 CD ARG A 87 -7.021 3.263 8.436 1.00 0.00 C ATOM 1210 NE ARG A 87 -8.182 3.942 9.004 1.00 0.00 N ATOM 1211 CZ ARG A 87 -8.220 5.246 9.258 1.00 0.00 C ATOM 1212 NH1 ARG A 87 -7.167 6.006 8.996 1.00 0.00 N ATOM 1213 NH2 ARG A 87 -9.314 5.791 9.775 1.00 0.00 N ATOM 0 H ARG A 87 -4.937 4.355 4.704 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.287 3.850 7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.994 2.528 5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.750 1.726 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.634 4.605 6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.804 3.353 6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.119 2.188 8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.122 3.580 8.964 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.009 3.385 9.218 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.325 5.591 8.598 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.199 7.007 9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.127 5.209 9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.342 6.792 9.970 1.00 0.00 H new ATOM 1227 N ALA A 88 -3.277 1.395 7.415 1.00 0.00 N ATOM 1228 CA ALA A 88 -2.307 0.309 7.486 1.00 0.00 C ATOM 1229 C ALA A 88 -2.941 -1.019 7.088 1.00 0.00 C ATOM 1230 O ALA A 88 -3.839 -1.518 7.767 1.00 0.00 O ATOM 1231 CB ALA A 88 -1.718 0.218 8.885 1.00 0.00 C ATOM 0 H ALA A 88 -3.916 1.442 8.208 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.505 0.524 6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.995 -0.597 8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.220 1.156 9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.515 0.030 9.604 1.00 0.00 H new ATOM 1237 N VAL A 89 -2.469 -1.589 5.984 1.00 0.00 N ATOM 1238 CA VAL A 89 -2.990 -2.860 5.497 1.00 0.00 C ATOM 1239 C VAL A 89 -2.082 -4.017 5.901 1.00 0.00 C ATOM 1240 O VAL A 89 -0.922 -4.081 5.495 1.00 0.00 O ATOM 1241 CB VAL A 89 -3.142 -2.854 3.964 1.00 0.00 C ATOM 1242 CG1 VAL A 89 -1.790 -2.670 3.293 1.00 0.00 C ATOM 1243 CG2 VAL A 89 -3.812 -4.135 3.490 1.00 0.00 C ATOM 0 H VAL A 89 -1.726 -1.190 5.410 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.971 -2.995 5.952 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.777 -2.014 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.918 -2.668 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.353 -1.722 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.128 -3.487 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.911 -4.114 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.206 -4.992 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.800 -4.218 3.943 1.00 0.00 H new ATOM 1253 N SER A 90 -2.619 -4.930 6.704 1.00 0.00 N ATOM 1254 CA SER A 90 -1.857 -6.084 7.166 1.00 0.00 C ATOM 1255 C SER A 90 -1.932 -7.225 6.156 1.00 0.00 C ATOM 1256 O SER A 90 -2.960 -7.890 6.030 1.00 0.00 O ATOM 1257 CB SER A 90 -2.380 -6.556 8.525 1.00 0.00 C ATOM 1258 OG SER A 90 -3.689 -7.086 8.411 1.00 0.00 O ATOM 0 H SER A 90 -3.579 -4.893 7.048 1.00 0.00 H new ATOM 0 HA SER A 90 -0.815 -5.782 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.711 -7.314 8.932 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.382 -5.722 9.227 1.00 0.00 H new ATOM 0 HG SER A 90 -3.732 -7.687 7.638 1.00 0.00 H new ATOM 1264 N ILE A 91 -0.835 -7.444 5.439 1.00 0.00 N ATOM 1265 CA ILE A 91 -0.775 -8.505 4.441 1.00 0.00 C ATOM 1266 C ILE A 91 -0.531 -9.861 5.094 1.00 0.00 C ATOM 1267 O ILE A 91 0.373 -10.012 5.916 1.00 0.00 O ATOM 1268 CB ILE A 91 0.333 -8.240 3.404 1.00 0.00 C ATOM 1269 CG1 ILE A 91 0.051 -6.942 2.644 1.00 0.00 C ATOM 1270 CG2 ILE A 91 0.447 -9.411 2.440 1.00 0.00 C ATOM 1271 CD1 ILE A 91 -1.241 -6.971 1.858 1.00 0.00 C ATOM 0 H ILE A 91 0.024 -6.901 5.530 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.740 -8.517 3.935 1.00 0.00 H new ATOM 0 HB ILE A 91 1.283 -8.133 3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.017 -6.115 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.878 -6.743 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.234 -9.209 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.690 -10.317 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.501 -9.547 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.376 -6.019 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.203 -7.776 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.077 -7.139 2.538 1.00 0.00 H new ATOM 1283 N SER A 92 -1.341 -10.846 4.720 1.00 0.00 N ATOM 1284 CA SER A 92 -1.215 -12.190 5.271 1.00 0.00 C ATOM 1285 C SER A 92 -1.328 -13.241 4.170 1.00 0.00 C ATOM 1286 O SER A 92 -1.896 -12.984 3.108 1.00 0.00 O ATOM 1287 CB SER A 92 -2.289 -12.432 6.333 1.00 0.00 C ATOM 1288 OG SER A 92 -1.979 -11.748 7.536 1.00 0.00 O ATOM 0 H SER A 92 -2.092 -10.739 4.038 1.00 0.00 H new ATOM 0 HA SER A 92 -0.231 -12.276 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.257 -12.097 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.376 -13.500 6.530 1.00 0.00 H new ATOM 0 HG SER A 92 -2.681 -11.917 8.199 1.00 0.00 H new ATOM 1294 N ILE A 93 -0.782 -14.424 4.432 1.00 0.00 N ATOM 1295 CA ILE A 93 -0.822 -15.513 3.465 1.00 0.00 C ATOM 1296 C ILE A 93 -2.044 -16.399 3.684 1.00 0.00 C ATOM 1297 O ILE A 93 -2.460 -16.629 4.820 1.00 0.00 O ATOM 1298 CB ILE A 93 0.448 -16.382 3.542 1.00 0.00 C ATOM 1299 CG1 ILE A 93 1.689 -15.536 3.252 1.00 0.00 C ATOM 1300 CG2 ILE A 93 0.354 -17.546 2.568 1.00 0.00 C ATOM 1301 CD1 ILE A 93 2.987 -16.225 3.610 1.00 0.00 C ATOM 0 H ILE A 93 -0.307 -14.652 5.305 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.880 -15.055 2.478 1.00 0.00 H new ATOM 0 HB ILE A 93 0.534 -16.785 4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.704 -15.278 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.619 -14.600 3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.259 -18.150 2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.511 -18.160 2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.247 -17.163 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.824 -15.567 3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.993 -16.458 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.080 -17.147 3.036 1.00 0.00 H new ATOM 1313 N ILE A 94 -2.613 -16.894 2.590 1.00 0.00 N ATOM 1314 CA ILE A 94 -3.785 -17.757 2.663 1.00 0.00 C ATOM 1315 C ILE A 94 -3.384 -19.212 2.880 1.00 0.00 C ATOM 1316 O ILE A 94 -2.351 -19.661 2.386 1.00 0.00 O ATOM 1317 CB ILE A 94 -4.638 -17.657 1.385 1.00 0.00 C ATOM 1318 CG1 ILE A 94 -5.087 -16.212 1.157 1.00 0.00 C ATOM 1319 CG2 ILE A 94 -5.842 -18.583 1.477 1.00 0.00 C ATOM 1320 CD1 ILE A 94 -5.502 -15.926 -0.269 1.00 0.00 C ATOM 0 H ILE A 94 -2.281 -16.712 1.643 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.376 -17.415 3.513 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.030 -17.967 0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.922 -15.991 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.274 -15.540 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.435 -18.501 0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.502 -19.612 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -6.453 -18.301 2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.808 -14.883 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.662 -16.115 -0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.336 -16.573 -0.542 1.00 0.00 H new ATOM 1332 N GLU A 95 -4.210 -19.943 3.622 1.00 0.00 N ATOM 1333 CA GLU A 95 -3.942 -21.349 3.904 1.00 0.00 C ATOM 1334 C GLU A 95 -4.495 -22.241 2.796 1.00 0.00 C ATOM 1335 O GLU A 95 -5.673 -22.180 2.446 1.00 0.00 O ATOM 1336 CB GLU A 95 -4.553 -21.748 5.248 1.00 0.00 C ATOM 1337 CG GLU A 95 -5.989 -21.284 5.426 1.00 0.00 C ATOM 1338 CD GLU A 95 -6.643 -21.872 6.661 1.00 0.00 C ATOM 1339 OE1 GLU A 95 -7.047 -23.053 6.613 1.00 0.00 O ATOM 1340 OE2 GLU A 95 -6.753 -21.152 7.675 1.00 0.00 O ATOM 0 H GLU A 95 -5.070 -19.585 4.039 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.861 -21.484 3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.516 -22.833 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.944 -21.334 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.010 -20.196 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.568 -21.562 4.545 1.00 0.00 H new ATOM 1347 N PRO A 96 -3.623 -23.089 2.230 1.00 0.00 N ATOM 1348 CA PRO A 96 -4.001 -24.010 1.154 1.00 0.00 C ATOM 1349 C PRO A 96 -4.920 -25.125 1.641 1.00 0.00 C ATOM 1350 O PRO A 96 -5.148 -25.275 2.841 1.00 0.00 O ATOM 1351 CB PRO A 96 -2.659 -24.586 0.693 1.00 0.00 C ATOM 1352 CG PRO A 96 -1.766 -24.462 1.880 1.00 0.00 C ATOM 1353 CD PRO A 96 -2.203 -23.215 2.598 1.00 0.00 C ATOM 0 HA PRO A 96 -4.559 -23.507 0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.761 -25.625 0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.263 -24.034 -0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.853 -25.335 2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.721 -24.392 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.074 -23.306 3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.627 -22.346 2.281 1.00 0.00 H new TER 1361 PRO A 96