USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 551 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 56 HIS : no HE2:sc= -21.8! C(o=-26!,f=-24!) USER MOD Set 1.2: A 58 TYR OH : rot 15:sc= -3.77! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -5.43! C(o=-5.4!,f=-5!) USER MOD Single : A 19 SER OG : rot 37:sc= 1.04 USER MOD Single : A 21 GLN : amide:sc= -0.0523 X(o=-0.052,f=0.23) USER MOD Single : A 26 HIS : no HE2:sc= -13.9! C(o=-14!,f=-11!) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00493 USER MOD Single : A 36 THR OG1 : rot -115:sc= 0.395 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0453 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.772 USER MOD Single : A 65 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-3.7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 130:sc= -1.51 USER MOD Single : A 84 GLN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -4.173 10.091 -9.328 1.00 0.00 N ATOM 2 CA ALA A 8 -3.534 9.602 -10.582 1.00 0.00 C ATOM 3 C ALA A 8 -4.217 8.305 -11.009 1.00 0.00 C ATOM 4 O ALA A 8 -4.826 7.624 -10.212 1.00 0.00 O ATOM 5 CB ALA A 8 -2.040 9.363 -10.330 1.00 0.00 C ATOM 0 HA ALA A 8 -3.641 10.342 -11.375 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.569 9.005 -11.246 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.569 10.296 -10.021 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.918 8.618 -9.544 1.00 0.00 H new ATOM 11 N THR A 9 -4.136 7.963 -12.265 1.00 0.00 N ATOM 12 CA THR A 9 -4.795 6.718 -12.735 1.00 0.00 C ATOM 13 C THR A 9 -3.984 5.514 -12.280 1.00 0.00 C ATOM 14 O THR A 9 -2.779 5.589 -12.103 1.00 0.00 O ATOM 15 CB THR A 9 -4.914 6.725 -14.258 1.00 0.00 C ATOM 16 OG1 THR A 9 -5.985 5.876 -14.650 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.615 6.226 -14.886 1.00 0.00 C ATOM 0 H THR A 9 -3.642 8.493 -12.983 1.00 0.00 H new ATOM 0 HA THR A 9 -5.797 6.661 -12.310 1.00 0.00 H new ATOM 0 HB THR A 9 -5.106 7.743 -14.598 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.065 5.880 -15.627 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.709 6.234 -15.972 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.793 6.877 -14.588 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.414 5.210 -14.547 1.00 0.00 H new ATOM 25 N LEU A 10 -4.658 4.416 -12.075 1.00 0.00 N ATOM 26 CA LEU A 10 -3.997 3.170 -11.599 1.00 0.00 C ATOM 27 C LEU A 10 -3.470 2.370 -12.791 1.00 0.00 C ATOM 28 O LEU A 10 -4.228 1.739 -13.500 1.00 0.00 O ATOM 29 CB LEU A 10 -5.039 2.309 -10.871 1.00 0.00 C ATOM 30 CG LEU A 10 -5.551 3.017 -9.610 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.409 4.232 -9.980 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.402 2.039 -8.799 1.00 0.00 C ATOM 0 H LEU A 10 -5.664 4.330 -12.221 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.172 3.432 -10.936 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.874 2.099 -11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.599 1.349 -10.600 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.694 3.355 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.762 4.719 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.812 4.936 -10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.264 3.907 -10.572 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.770 2.535 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.247 1.706 -9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.797 1.178 -8.516 1.00 0.00 H new ATOM 44 N VAL A 11 -2.186 2.368 -13.013 1.00 0.00 N ATOM 45 CA VAL A 11 -1.642 1.579 -14.150 1.00 0.00 C ATOM 46 C VAL A 11 -0.677 0.528 -13.609 1.00 0.00 C ATOM 47 O VAL A 11 0.493 0.785 -13.443 1.00 0.00 O ATOM 48 CB VAL A 11 -0.902 2.497 -15.115 1.00 0.00 C ATOM 49 CG1 VAL A 11 -0.831 1.820 -16.486 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.656 3.821 -15.241 1.00 0.00 C ATOM 0 H VAL A 11 -1.495 2.875 -12.460 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.462 1.095 -14.680 1.00 0.00 H new ATOM 0 HB VAL A 11 0.104 2.690 -14.743 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.303 2.469 -17.185 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.299 0.873 -16.397 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.840 1.636 -16.854 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.126 4.477 -15.931 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.661 3.633 -15.618 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.719 4.298 -14.263 1.00 0.00 H new ATOM 60 N GLY A 12 -1.158 -0.650 -13.321 1.00 0.00 N ATOM 61 CA GLY A 12 -0.258 -1.707 -12.779 1.00 0.00 C ATOM 62 C GLY A 12 -0.125 -2.855 -13.788 1.00 0.00 C ATOM 63 O GLY A 12 -0.782 -3.869 -13.658 1.00 0.00 O ATOM 0 H GLY A 12 -2.133 -0.926 -13.437 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.724 -1.285 -12.565 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.654 -2.085 -11.837 1.00 0.00 H new ATOM 67 N PRO A 13 0.732 -2.662 -14.764 1.00 0.00 N ATOM 68 CA PRO A 13 0.983 -3.668 -15.814 1.00 0.00 C ATOM 69 C PRO A 13 1.799 -4.856 -15.286 1.00 0.00 C ATOM 70 O PRO A 13 2.631 -4.728 -14.397 1.00 0.00 O ATOM 71 CB PRO A 13 1.774 -2.897 -16.872 1.00 0.00 C ATOM 72 CG PRO A 13 2.407 -1.693 -16.143 1.00 0.00 C ATOM 73 CD PRO A 13 1.523 -1.422 -14.915 1.00 0.00 C ATOM 0 HA PRO A 13 0.059 -4.101 -16.197 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.541 -3.528 -17.321 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.122 -2.564 -17.680 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.432 -1.914 -15.844 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.446 -0.820 -16.795 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.123 -1.221 -14.028 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.881 -0.555 -15.069 1.00 0.00 H new ATOM 81 N HIS A 14 1.559 -6.010 -15.853 1.00 0.00 N ATOM 82 CA HIS A 14 2.287 -7.246 -15.444 1.00 0.00 C ATOM 83 C HIS A 14 1.576 -8.460 -16.037 1.00 0.00 C ATOM 84 O HIS A 14 2.194 -9.417 -16.461 1.00 0.00 O ATOM 85 CB HIS A 14 2.302 -7.381 -13.920 1.00 0.00 C ATOM 86 CG HIS A 14 2.782 -8.757 -13.553 1.00 0.00 C ATOM 87 ND1 HIS A 14 4.118 -9.033 -13.315 1.00 0.00 N ATOM 88 CD2 HIS A 14 2.119 -9.947 -13.390 1.00 0.00 C ATOM 89 CE1 HIS A 14 4.217 -10.343 -13.026 1.00 0.00 C ATOM 90 NE2 HIS A 14 3.027 -10.947 -13.057 1.00 0.00 N ATOM 0 H HIS A 14 0.875 -6.149 -16.597 1.00 0.00 H new ATOM 0 HA HIS A 14 3.313 -7.186 -15.807 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.955 -6.626 -13.482 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.303 -7.211 -13.518 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.054 -10.086 -13.503 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.146 -10.845 -12.797 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.827 -11.930 -12.876 1.00 0.00 H new ATOM 98 N GLY A 15 0.280 -8.426 -16.044 1.00 0.00 N ATOM 99 CA GLY A 15 -0.507 -9.572 -16.579 1.00 0.00 C ATOM 100 C GLY A 15 -1.149 -10.297 -15.399 1.00 0.00 C ATOM 101 O GLY A 15 -1.612 -9.664 -14.470 1.00 0.00 O ATOM 0 H GLY A 15 -0.279 -7.646 -15.699 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.272 -9.219 -17.271 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.139 -10.250 -17.137 1.00 0.00 H new ATOM 105 N PRO A 16 -1.141 -11.600 -15.449 1.00 0.00 N ATOM 106 CA PRO A 16 -1.700 -12.425 -14.372 1.00 0.00 C ATOM 107 C PRO A 16 -0.712 -12.462 -13.209 1.00 0.00 C ATOM 108 O PRO A 16 0.486 -12.402 -13.401 1.00 0.00 O ATOM 109 CB PRO A 16 -1.858 -13.803 -15.008 1.00 0.00 C ATOM 110 CG PRO A 16 -0.881 -13.840 -16.209 1.00 0.00 C ATOM 111 CD PRO A 16 -0.578 -12.372 -16.574 1.00 0.00 C ATOM 0 HA PRO A 16 -2.644 -12.052 -13.975 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.625 -14.591 -14.292 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.885 -13.965 -15.336 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.034 -14.371 -15.948 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.325 -14.366 -17.054 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.493 -12.200 -16.679 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.040 -12.093 -17.521 1.00 0.00 H new ATOM 119 N LEU A 17 -1.195 -12.548 -12.007 1.00 0.00 N ATOM 120 CA LEU A 17 -0.270 -12.571 -10.841 1.00 0.00 C ATOM 121 C LEU A 17 -0.206 -13.982 -10.262 1.00 0.00 C ATOM 122 O LEU A 17 -1.148 -14.460 -9.665 1.00 0.00 O ATOM 123 CB LEU A 17 -0.774 -11.601 -9.769 1.00 0.00 C ATOM 124 CG LEU A 17 0.350 -10.637 -9.372 1.00 0.00 C ATOM 125 CD1 LEU A 17 1.586 -11.430 -8.939 1.00 0.00 C ATOM 126 CD2 LEU A 17 0.708 -9.746 -10.566 1.00 0.00 C ATOM 0 H LEU A 17 -2.187 -12.603 -11.778 1.00 0.00 H new ATOM 0 HA LEU A 17 0.726 -12.269 -11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.630 -11.041 -10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.116 -12.156 -8.895 1.00 0.00 H new ATOM 0 HG LEU A 17 0.012 -10.016 -8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.381 -10.740 -8.658 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.334 -12.060 -8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.924 -12.056 -9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.507 -9.061 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.041 -10.368 -11.397 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.169 -9.174 -10.869 1.00 0.00 H new ATOM 138 N ALA A 18 0.903 -14.646 -10.425 1.00 0.00 N ATOM 139 CA ALA A 18 1.032 -16.020 -9.869 1.00 0.00 C ATOM 140 C ALA A 18 1.639 -15.927 -8.472 1.00 0.00 C ATOM 141 O ALA A 18 2.353 -14.993 -8.164 1.00 0.00 O ATOM 142 CB ALA A 18 1.951 -16.854 -10.765 1.00 0.00 C ATOM 0 H ALA A 18 1.725 -14.297 -10.919 1.00 0.00 H new ATOM 0 HA ALA A 18 0.051 -16.493 -9.822 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.044 -17.860 -10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.529 -16.908 -11.769 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.936 -16.388 -10.810 1.00 0.00 H new ATOM 148 N SER A 19 1.363 -16.879 -7.622 1.00 0.00 N ATOM 149 CA SER A 19 1.937 -16.826 -6.247 1.00 0.00 C ATOM 150 C SER A 19 3.465 -16.811 -6.335 1.00 0.00 C ATOM 151 O SER A 19 4.086 -17.785 -6.711 1.00 0.00 O ATOM 152 CB SER A 19 1.488 -18.051 -5.452 1.00 0.00 C ATOM 153 OG SER A 19 2.258 -18.140 -4.261 1.00 0.00 O ATOM 0 H SER A 19 0.770 -17.685 -7.818 1.00 0.00 H new ATOM 0 HA SER A 19 1.588 -15.923 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.428 -17.974 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.614 -18.954 -6.050 1.00 0.00 H new ATOM 0 HG SER A 19 2.426 -17.240 -3.912 1.00 0.00 H new ATOM 159 N GLY A 20 4.073 -15.708 -5.989 1.00 0.00 N ATOM 160 CA GLY A 20 5.560 -15.620 -6.049 1.00 0.00 C ATOM 161 C GLY A 20 5.978 -14.772 -7.253 1.00 0.00 C ATOM 162 O GLY A 20 6.979 -15.036 -7.889 1.00 0.00 O ATOM 0 H GLY A 20 3.602 -14.862 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.945 -15.179 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.990 -16.618 -6.128 1.00 0.00 H new ATOM 166 N GLN A 21 5.220 -13.756 -7.574 1.00 0.00 N ATOM 167 CA GLN A 21 5.579 -12.896 -8.741 1.00 0.00 C ATOM 168 C GLN A 21 5.461 -11.415 -8.354 1.00 0.00 C ATOM 169 O GLN A 21 4.800 -11.062 -7.395 1.00 0.00 O ATOM 170 CB GLN A 21 4.624 -13.189 -9.902 1.00 0.00 C ATOM 171 CG GLN A 21 4.798 -14.639 -10.361 1.00 0.00 C ATOM 172 CD GLN A 21 6.030 -14.749 -11.260 1.00 0.00 C ATOM 173 OE1 GLN A 21 7.142 -14.832 -10.779 1.00 0.00 O ATOM 174 NE2 GLN A 21 5.878 -14.752 -12.556 1.00 0.00 N ATOM 0 H GLN A 21 4.370 -13.485 -7.080 1.00 0.00 H new ATOM 0 HA GLN A 21 6.604 -13.111 -9.041 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.594 -13.017 -9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.824 -12.509 -10.730 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.907 -15.294 -9.497 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.911 -14.969 -10.901 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.944 -14.682 -12.960 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.693 -14.824 -13.165 1.00 0.00 H new ATOM 183 N LEU A 22 6.095 -10.544 -9.098 1.00 0.00 N ATOM 184 CA LEU A 22 6.011 -9.092 -8.775 1.00 0.00 C ATOM 185 C LEU A 22 5.335 -8.351 -9.933 1.00 0.00 C ATOM 186 O LEU A 22 5.739 -8.446 -11.075 1.00 0.00 O ATOM 187 CB LEU A 22 7.427 -8.536 -8.512 1.00 0.00 C ATOM 188 CG LEU A 22 7.778 -7.378 -9.468 1.00 0.00 C ATOM 189 CD1 LEU A 22 6.925 -6.149 -9.165 1.00 0.00 C ATOM 190 CD2 LEU A 22 9.238 -6.983 -9.272 1.00 0.00 C ATOM 0 H LEU A 22 6.664 -10.777 -9.912 1.00 0.00 H new ATOM 0 HA LEU A 22 5.414 -8.945 -7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.495 -8.189 -7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.158 -9.336 -8.627 1.00 0.00 H new ATOM 0 HG LEU A 22 7.594 -7.715 -10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.189 -5.344 -9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.871 -6.399 -9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.105 -5.825 -8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.487 -6.165 -9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.393 -6.663 -8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.878 -7.838 -9.487 1.00 0.00 H new ATOM 202 N ALA A 23 4.308 -7.603 -9.634 1.00 0.00 N ATOM 203 CA ALA A 23 3.603 -6.831 -10.694 1.00 0.00 C ATOM 204 C ALA A 23 4.263 -5.466 -10.798 1.00 0.00 C ATOM 205 O ALA A 23 4.675 -4.912 -9.812 1.00 0.00 O ATOM 206 CB ALA A 23 2.151 -6.618 -10.291 1.00 0.00 C ATOM 0 H ALA A 23 3.926 -7.494 -8.695 1.00 0.00 H new ATOM 0 HA ALA A 23 3.651 -7.372 -11.639 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.637 -6.053 -11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.664 -7.584 -10.163 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.111 -6.064 -9.353 1.00 0.00 H new ATOM 212 N ALA A 24 4.355 -4.885 -11.951 1.00 0.00 N ATOM 213 CA ALA A 24 4.988 -3.548 -11.997 1.00 0.00 C ATOM 214 C ALA A 24 3.885 -2.503 -12.052 1.00 0.00 C ATOM 215 O ALA A 24 2.958 -2.616 -12.818 1.00 0.00 O ATOM 216 CB ALA A 24 5.900 -3.457 -13.208 1.00 0.00 C ATOM 0 H ALA A 24 4.030 -5.263 -12.841 1.00 0.00 H new ATOM 0 HA ALA A 24 5.598 -3.376 -11.111 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.365 -2.472 -13.240 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.674 -4.221 -13.139 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.316 -3.612 -14.115 1.00 0.00 H new ATOM 222 N PHE A 25 3.950 -1.521 -11.202 1.00 0.00 N ATOM 223 CA PHE A 25 2.870 -0.501 -11.167 1.00 0.00 C ATOM 224 C PHE A 25 3.371 0.879 -11.601 1.00 0.00 C ATOM 225 O PHE A 25 4.552 1.164 -11.609 1.00 0.00 O ATOM 226 CB PHE A 25 2.356 -0.378 -9.738 1.00 0.00 C ATOM 227 CG PHE A 25 1.500 -1.562 -9.370 1.00 0.00 C ATOM 228 CD1 PHE A 25 2.055 -2.849 -9.286 1.00 0.00 C ATOM 229 CD2 PHE A 25 0.141 -1.363 -9.097 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.241 -3.931 -8.927 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.668 -2.447 -8.741 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.118 -3.730 -8.656 1.00 0.00 C ATOM 0 H PHE A 25 4.704 -1.380 -10.530 1.00 0.00 H new ATOM 0 HA PHE A 25 2.088 -0.823 -11.855 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.198 -0.305 -9.050 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.778 0.540 -9.633 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.103 -3.004 -9.497 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.283 -0.372 -9.161 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.663 -4.923 -8.859 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.716 -2.293 -8.532 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.742 -4.567 -8.381 1.00 0.00 H new ATOM 242 N HIS A 26 2.448 1.743 -11.926 1.00 0.00 N ATOM 243 CA HIS A 26 2.787 3.131 -12.325 1.00 0.00 C ATOM 244 C HIS A 26 1.487 3.948 -12.287 1.00 0.00 C ATOM 245 O HIS A 26 0.428 3.469 -12.647 1.00 0.00 O ATOM 246 CB HIS A 26 3.449 3.134 -13.719 1.00 0.00 C ATOM 247 CG HIS A 26 2.507 3.595 -14.797 1.00 0.00 C ATOM 248 ND1 HIS A 26 2.250 2.831 -15.923 1.00 0.00 N ATOM 249 CD2 HIS A 26 1.811 4.760 -14.971 1.00 0.00 C ATOM 250 CE1 HIS A 26 1.432 3.545 -16.718 1.00 0.00 C ATOM 251 NE2 HIS A 26 1.134 4.729 -16.185 1.00 0.00 N ATOM 0 H HIS A 26 1.449 1.535 -11.930 1.00 0.00 H new ATOM 0 HA HIS A 26 3.509 3.580 -11.643 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.324 3.784 -13.702 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.802 2.130 -13.953 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.614 1.898 -16.115 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.791 5.581 -14.270 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.062 3.200 -17.672 1.00 0.00 H new ATOM 259 N ILE A 27 1.546 5.164 -11.813 1.00 0.00 N ATOM 260 CA ILE A 27 0.306 5.990 -11.718 1.00 0.00 C ATOM 261 C ILE A 27 0.364 7.089 -12.780 1.00 0.00 C ATOM 262 O ILE A 27 1.429 7.461 -13.229 1.00 0.00 O ATOM 263 CB ILE A 27 0.192 6.609 -10.314 1.00 0.00 C ATOM 264 CG1 ILE A 27 1.063 5.841 -9.309 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.260 6.533 -9.841 1.00 0.00 C ATOM 266 CD1 ILE A 27 0.173 4.928 -8.464 1.00 0.00 C ATOM 0 H ILE A 27 2.398 5.621 -11.488 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.570 5.364 -11.888 1.00 0.00 H new ATOM 0 HB ILE A 27 0.527 7.645 -10.370 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.813 5.251 -9.836 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.600 6.539 -8.668 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.342 6.971 -8.846 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.897 7.083 -10.533 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.577 5.491 -9.806 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.788 4.381 -7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.560 5.530 -7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.344 4.222 -9.113 1.00 0.00 H new ATOM 278 N ALA A 28 -0.761 7.595 -13.221 1.00 0.00 N ATOM 279 CA ALA A 28 -0.707 8.643 -14.295 1.00 0.00 C ATOM 280 C ALA A 28 -1.617 9.843 -13.999 1.00 0.00 C ATOM 281 O ALA A 28 -2.813 9.710 -13.854 1.00 0.00 O ATOM 282 CB ALA A 28 -1.156 8.018 -15.611 1.00 0.00 C ATOM 0 H ALA A 28 -1.693 7.339 -12.896 1.00 0.00 H new ATOM 0 HA ALA A 28 0.320 9.006 -14.345 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.122 8.769 -16.401 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.492 7.192 -15.867 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.175 7.646 -15.508 1.00 0.00 H new ATOM 288 N ALA A 29 -1.053 11.025 -13.968 1.00 0.00 N ATOM 289 CA ALA A 29 -1.865 12.261 -13.739 1.00 0.00 C ATOM 290 C ALA A 29 -0.923 13.458 -13.541 1.00 0.00 C ATOM 291 O ALA A 29 -0.845 14.324 -14.394 1.00 0.00 O ATOM 292 CB ALA A 29 -2.774 12.095 -12.519 1.00 0.00 C ATOM 0 H ALA A 29 -0.054 11.188 -14.093 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.498 12.436 -14.609 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.355 13.005 -12.371 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.450 11.255 -12.681 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.165 11.906 -11.635 1.00 0.00 H new ATOM 298 N PRO A 30 -0.217 13.479 -12.435 1.00 0.00 N ATOM 299 CA PRO A 30 0.731 14.563 -12.142 1.00 0.00 C ATOM 300 C PRO A 30 2.002 14.365 -12.966 1.00 0.00 C ATOM 301 O PRO A 30 2.993 13.875 -12.478 1.00 0.00 O ATOM 302 CB PRO A 30 1.006 14.410 -10.645 1.00 0.00 C ATOM 303 CG PRO A 30 0.660 12.948 -10.287 1.00 0.00 C ATOM 304 CD PRO A 30 -0.282 12.436 -11.389 1.00 0.00 C ATOM 0 HA PRO A 30 0.355 15.556 -12.388 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.049 14.630 -10.417 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.400 15.106 -10.065 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.562 12.338 -10.234 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.180 12.892 -9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.041 11.468 -11.771 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.298 12.308 -11.017 1.00 0.00 H new ATOM 312 N LEU A 31 1.954 14.722 -14.222 1.00 0.00 N ATOM 313 CA LEU A 31 3.142 14.544 -15.127 1.00 0.00 C ATOM 314 C LEU A 31 4.471 14.745 -14.370 1.00 0.00 C ATOM 315 O LEU A 31 5.330 13.888 -14.427 1.00 0.00 O ATOM 316 CB LEU A 31 3.084 15.530 -16.310 1.00 0.00 C ATOM 317 CG LEU A 31 1.639 15.724 -16.784 1.00 0.00 C ATOM 318 CD1 LEU A 31 1.627 16.646 -18.005 1.00 0.00 C ATOM 319 CD2 LEU A 31 1.033 14.370 -17.165 1.00 0.00 C ATOM 0 H LEU A 31 1.136 15.135 -14.670 1.00 0.00 H new ATOM 0 HA LEU A 31 3.103 13.521 -15.501 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.506 16.490 -16.011 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.694 15.156 -17.132 1.00 0.00 H new ATOM 0 HG LEU A 31 1.052 16.168 -15.980 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.601 16.786 -18.345 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.055 17.612 -17.736 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.216 16.198 -18.805 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.006 14.513 -17.501 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.619 13.922 -17.968 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.042 13.710 -16.297 1.00 0.00 H new ATOM 331 N PRO A 32 4.619 15.867 -13.701 1.00 0.00 N ATOM 332 CA PRO A 32 5.857 16.179 -12.955 1.00 0.00 C ATOM 333 C PRO A 32 5.891 15.499 -11.574 1.00 0.00 C ATOM 334 O PRO A 32 5.934 16.164 -10.558 1.00 0.00 O ATOM 335 CB PRO A 32 5.791 17.701 -12.792 1.00 0.00 C ATOM 336 CG PRO A 32 4.301 18.096 -12.923 1.00 0.00 C ATOM 337 CD PRO A 32 3.590 16.927 -13.628 1.00 0.00 C ATOM 0 HA PRO A 32 6.748 15.825 -13.473 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.188 18.004 -11.823 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.392 18.199 -13.553 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.862 18.280 -11.942 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.194 19.016 -13.498 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.716 16.596 -13.067 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.242 17.213 -14.621 1.00 0.00 H new ATOM 345 N VAL A 33 5.896 14.190 -11.515 1.00 0.00 N ATOM 346 CA VAL A 33 5.949 13.517 -10.180 1.00 0.00 C ATOM 347 C VAL A 33 7.407 13.342 -9.748 1.00 0.00 C ATOM 348 O VAL A 33 8.289 13.154 -10.563 1.00 0.00 O ATOM 349 CB VAL A 33 5.295 12.136 -10.242 1.00 0.00 C ATOM 350 CG1 VAL A 33 5.504 11.428 -8.904 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.800 12.285 -10.493 1.00 0.00 C ATOM 0 H VAL A 33 5.866 13.566 -12.321 1.00 0.00 H new ATOM 0 HA VAL A 33 5.411 14.140 -9.465 1.00 0.00 H new ATOM 0 HB VAL A 33 5.743 11.558 -11.050 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.041 10.442 -8.938 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.572 11.321 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.049 12.015 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.338 11.299 -10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.351 12.861 -9.684 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.640 12.803 -11.439 1.00 0.00 H new ATOM 361 N THR A 34 7.662 13.392 -8.468 1.00 0.00 N ATOM 362 CA THR A 34 9.058 13.221 -7.971 1.00 0.00 C ATOM 363 C THR A 34 9.130 12.005 -7.048 1.00 0.00 C ATOM 364 O THR A 34 10.105 11.278 -7.030 1.00 0.00 O ATOM 365 CB THR A 34 9.482 14.478 -7.205 1.00 0.00 C ATOM 366 OG1 THR A 34 8.655 14.636 -6.060 1.00 0.00 O ATOM 367 CG2 THR A 34 9.339 15.703 -8.110 1.00 0.00 C ATOM 0 H THR A 34 6.961 13.544 -7.743 1.00 0.00 H new ATOM 0 HA THR A 34 9.729 13.068 -8.816 1.00 0.00 H new ATOM 0 HB THR A 34 10.522 14.378 -6.893 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.927 15.439 -5.569 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.641 16.596 -7.563 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.974 15.583 -8.988 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.300 15.804 -8.424 1.00 0.00 H new ATOM 375 N ALA A 35 8.103 11.778 -6.291 1.00 0.00 N ATOM 376 CA ALA A 35 8.087 10.613 -5.368 1.00 0.00 C ATOM 377 C ALA A 35 6.640 10.221 -5.088 1.00 0.00 C ATOM 378 O ALA A 35 5.762 11.057 -4.996 1.00 0.00 O ATOM 379 CB ALA A 35 8.776 10.985 -4.055 1.00 0.00 C ATOM 0 H ALA A 35 7.262 12.355 -6.270 1.00 0.00 H new ATOM 0 HA ALA A 35 8.616 9.777 -5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.762 10.128 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.808 11.273 -4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.250 11.820 -3.592 1.00 0.00 H new ATOM 385 N THR A 36 6.390 8.953 -4.950 1.00 0.00 N ATOM 386 CA THR A 36 5.006 8.489 -4.675 1.00 0.00 C ATOM 387 C THR A 36 5.036 7.551 -3.471 1.00 0.00 C ATOM 388 O THR A 36 6.050 6.959 -3.164 1.00 0.00 O ATOM 389 CB THR A 36 4.469 7.733 -5.889 1.00 0.00 C ATOM 390 OG1 THR A 36 3.346 6.954 -5.502 1.00 0.00 O ATOM 391 CG2 THR A 36 5.558 6.819 -6.439 1.00 0.00 C ATOM 0 H THR A 36 7.089 8.213 -5.016 1.00 0.00 H new ATOM 0 HA THR A 36 4.362 9.344 -4.470 1.00 0.00 H new ATOM 0 HB THR A 36 4.169 8.444 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.558 6.002 -5.600 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.176 6.279 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.420 7.417 -6.735 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.858 6.107 -5.670 1.00 0.00 H new ATOM 399 N ARG A 37 3.939 7.410 -2.789 1.00 0.00 N ATOM 400 CA ARG A 37 3.914 6.506 -1.611 1.00 0.00 C ATOM 401 C ARG A 37 2.886 5.408 -1.849 1.00 0.00 C ATOM 402 O ARG A 37 1.704 5.610 -1.692 1.00 0.00 O ATOM 403 CB ARG A 37 3.541 7.301 -0.360 1.00 0.00 C ATOM 404 CG ARG A 37 4.462 8.517 -0.234 1.00 0.00 C ATOM 405 CD ARG A 37 4.130 9.277 1.051 1.00 0.00 C ATOM 406 NE ARG A 37 4.270 8.363 2.219 1.00 0.00 N ATOM 407 CZ ARG A 37 5.290 8.482 3.025 1.00 0.00 C ATOM 408 NH1 ARG A 37 6.505 8.417 2.554 1.00 0.00 N ATOM 409 NH2 ARG A 37 5.094 8.666 4.303 1.00 0.00 N ATOM 0 H ARG A 37 3.058 7.881 -2.996 1.00 0.00 H new ATOM 0 HA ARG A 37 4.899 6.061 -1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.501 7.623 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.631 6.670 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.504 8.198 -0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.339 9.171 -1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.797 10.132 1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.114 9.669 1.002 1.00 0.00 H new ATOM 0 HE ARG A 37 3.568 7.643 2.389 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.658 8.273 1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.302 8.510 3.184 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.144 8.717 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.891 8.759 4.933 1.00 0.00 H new ATOM 423 N TRP A 38 3.325 4.242 -2.223 1.00 0.00 N ATOM 424 CA TRP A 38 2.353 3.144 -2.468 1.00 0.00 C ATOM 425 C TRP A 38 2.114 2.383 -1.178 1.00 0.00 C ATOM 426 O TRP A 38 2.711 2.646 -0.154 1.00 0.00 O ATOM 427 CB TRP A 38 2.903 2.138 -3.481 1.00 0.00 C ATOM 428 CG TRP A 38 3.222 2.785 -4.780 1.00 0.00 C ATOM 429 CD1 TRP A 38 4.191 3.702 -4.987 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.597 2.546 -6.066 1.00 0.00 C ATOM 431 NE1 TRP A 38 4.205 4.032 -6.330 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.237 3.349 -7.034 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.543 1.718 -6.480 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.851 3.325 -8.373 1.00 0.00 C ATOM 435 CZ3 TRP A 38 1.148 1.691 -7.822 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.801 2.494 -8.769 1.00 0.00 C ATOM 0 H TRP A 38 4.306 4.002 -2.369 1.00 0.00 H new ATOM 0 HA TRP A 38 1.436 3.595 -2.847 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.801 1.669 -3.078 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.173 1.345 -3.639 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.845 4.110 -4.231 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.853 4.700 -6.748 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.033 1.097 -5.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.359 3.944 -9.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.336 1.049 -8.130 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.492 2.469 -9.804 1.00 0.00 H new ATOM 447 N ASP A 39 1.265 1.411 -1.245 1.00 0.00 N ATOM 448 CA ASP A 39 0.994 0.566 -0.067 1.00 0.00 C ATOM 449 C ASP A 39 0.610 -0.805 -0.596 1.00 0.00 C ATOM 450 O ASP A 39 -0.489 -1.012 -1.069 1.00 0.00 O ATOM 451 CB ASP A 39 -0.139 1.158 0.769 1.00 0.00 C ATOM 452 CG ASP A 39 0.406 1.559 2.138 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.445 0.708 3.012 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.782 2.709 2.288 1.00 0.00 O ATOM 0 H ASP A 39 0.738 1.162 -2.082 1.00 0.00 H new ATOM 0 HA ASP A 39 1.869 0.504 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.564 2.026 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.942 0.430 0.883 1.00 0.00 H new ATOM 459 N PHE A 40 1.517 -1.739 -0.564 1.00 0.00 N ATOM 460 CA PHE A 40 1.189 -3.080 -1.119 1.00 0.00 C ATOM 461 C PHE A 40 0.374 -3.877 -0.108 1.00 0.00 C ATOM 462 O PHE A 40 -0.742 -4.273 -0.374 1.00 0.00 O ATOM 463 CB PHE A 40 2.461 -3.864 -1.450 1.00 0.00 C ATOM 464 CG PHE A 40 3.463 -3.027 -2.211 1.00 0.00 C ATOM 465 CD1 PHE A 40 3.069 -1.866 -2.892 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.801 -3.440 -2.256 1.00 0.00 C ATOM 467 CE1 PHE A 40 4.012 -1.123 -3.609 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.741 -2.696 -2.974 1.00 0.00 C ATOM 469 CZ PHE A 40 5.347 -1.539 -3.652 1.00 0.00 C ATOM 0 H PHE A 40 2.458 -1.635 -0.184 1.00 0.00 H new ATOM 0 HA PHE A 40 0.614 -2.931 -2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.916 -4.223 -0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.201 -4.743 -2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.038 -1.546 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.107 -4.335 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.709 -0.227 -4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.772 -3.015 -3.005 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.073 -0.966 -4.209 1.00 0.00 H new ATOM 479 N GLY A 41 0.928 -4.137 1.039 1.00 0.00 N ATOM 480 CA GLY A 41 0.186 -4.933 2.053 1.00 0.00 C ATOM 481 C GLY A 41 0.566 -6.411 1.912 1.00 0.00 C ATOM 482 O GLY A 41 -0.092 -7.283 2.445 1.00 0.00 O ATOM 0 H GLY A 41 1.861 -3.834 1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.424 -4.578 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.888 -4.807 1.917 1.00 0.00 H new ATOM 486 N ASP A 42 1.641 -6.697 1.220 1.00 0.00 N ATOM 487 CA ASP A 42 2.083 -8.105 1.070 1.00 0.00 C ATOM 488 C ASP A 42 3.247 -8.305 2.034 1.00 0.00 C ATOM 489 O ASP A 42 3.066 -8.365 3.235 1.00 0.00 O ATOM 490 CB ASP A 42 2.520 -8.372 -0.386 1.00 0.00 C ATOM 491 CG ASP A 42 3.157 -7.114 -1.008 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.926 -6.452 -0.328 1.00 0.00 O ATOM 493 OD2 ASP A 42 2.872 -6.845 -2.160 1.00 0.00 O ATOM 0 H ASP A 42 2.230 -6.008 0.753 1.00 0.00 H new ATOM 0 HA ASP A 42 1.275 -8.801 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.233 -9.196 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.658 -8.679 -0.978 1.00 0.00 H new ATOM 498 N GLY A 43 4.443 -8.350 1.536 1.00 0.00 N ATOM 499 CA GLY A 43 5.606 -8.476 2.437 1.00 0.00 C ATOM 500 C GLY A 43 5.974 -7.072 2.921 1.00 0.00 C ATOM 501 O GLY A 43 6.629 -6.901 3.931 1.00 0.00 O ATOM 0 H GLY A 43 4.664 -8.305 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.367 -9.121 3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.447 -8.933 1.915 1.00 0.00 H new ATOM 505 N SER A 44 5.545 -6.058 2.202 1.00 0.00 N ATOM 506 CA SER A 44 5.852 -4.659 2.609 1.00 0.00 C ATOM 507 C SER A 44 4.570 -3.819 2.544 1.00 0.00 C ATOM 508 O SER A 44 3.878 -3.793 1.542 1.00 0.00 O ATOM 509 CB SER A 44 6.898 -4.073 1.660 1.00 0.00 C ATOM 510 OG SER A 44 7.869 -5.068 1.356 1.00 0.00 O ATOM 0 H SER A 44 4.994 -6.147 1.348 1.00 0.00 H new ATOM 0 HA SER A 44 6.241 -4.649 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.420 -3.724 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.378 -3.209 2.119 1.00 0.00 H new ATOM 0 HG SER A 44 8.540 -4.695 0.747 1.00 0.00 H new ATOM 516 N ALA A 45 4.245 -3.136 3.607 1.00 0.00 N ATOM 517 CA ALA A 45 3.010 -2.303 3.607 1.00 0.00 C ATOM 518 C ALA A 45 3.286 -0.972 2.910 1.00 0.00 C ATOM 519 O ALA A 45 3.047 -0.819 1.724 1.00 0.00 O ATOM 520 CB ALA A 45 2.566 -2.052 5.050 1.00 0.00 C ATOM 0 H ALA A 45 4.781 -3.119 4.475 1.00 0.00 H new ATOM 0 HA ALA A 45 2.218 -2.827 3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.662 -1.443 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.362 -3.005 5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.357 -1.530 5.588 1.00 0.00 H new ATOM 526 N GLU A 46 3.785 -0.017 3.647 1.00 0.00 N ATOM 527 CA GLU A 46 4.091 1.326 3.065 1.00 0.00 C ATOM 528 C GLU A 46 5.072 1.173 1.904 1.00 0.00 C ATOM 529 O GLU A 46 5.827 0.223 1.841 1.00 0.00 O ATOM 530 CB GLU A 46 4.710 2.219 4.142 1.00 0.00 C ATOM 531 CG GLU A 46 3.699 3.289 4.558 1.00 0.00 C ATOM 532 CD GLU A 46 2.635 2.663 5.462 1.00 0.00 C ATOM 533 OE1 GLU A 46 3.004 2.127 6.493 1.00 0.00 O ATOM 534 OE2 GLU A 46 1.471 2.729 5.107 1.00 0.00 O ATOM 0 H GLU A 46 3.997 -0.109 4.640 1.00 0.00 H new ATOM 0 HA GLU A 46 3.169 1.780 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.998 1.620 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.618 2.688 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.206 4.099 5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.231 3.725 3.675 1.00 0.00 H new ATOM 541 N VAL A 47 5.048 2.086 0.970 1.00 0.00 N ATOM 542 CA VAL A 47 5.958 1.970 -0.204 1.00 0.00 C ATOM 543 C VAL A 47 6.526 3.334 -0.597 1.00 0.00 C ATOM 544 O VAL A 47 5.796 4.257 -0.892 1.00 0.00 O ATOM 545 CB VAL A 47 5.158 1.431 -1.382 1.00 0.00 C ATOM 546 CG1 VAL A 47 6.067 1.287 -2.596 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.573 0.068 -1.028 1.00 0.00 C ATOM 0 H VAL A 47 4.439 2.904 0.970 1.00 0.00 H new ATOM 0 HA VAL A 47 6.782 1.306 0.058 1.00 0.00 H new ATOM 0 HB VAL A 47 4.350 2.125 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.492 0.901 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.483 2.260 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.878 0.597 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.001 -0.313 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.381 -0.625 -0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.918 0.167 -0.163 1.00 0.00 H new ATOM 557 N ASP A 48 7.825 3.446 -0.644 1.00 0.00 N ATOM 558 CA ASP A 48 8.458 4.730 -1.060 1.00 0.00 C ATOM 559 C ASP A 48 8.980 4.562 -2.487 1.00 0.00 C ATOM 560 O ASP A 48 10.025 3.984 -2.709 1.00 0.00 O ATOM 561 CB ASP A 48 9.624 5.052 -0.120 1.00 0.00 C ATOM 562 CG ASP A 48 9.207 6.134 0.879 1.00 0.00 C ATOM 563 OD1 ASP A 48 8.048 6.513 0.868 1.00 0.00 O ATOM 564 OD2 ASP A 48 10.057 6.562 1.641 1.00 0.00 O ATOM 0 H ASP A 48 8.479 2.699 -0.411 1.00 0.00 H new ATOM 0 HA ASP A 48 7.734 5.543 -1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.931 4.152 0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.485 5.390 -0.697 1.00 0.00 H new ATOM 569 N ALA A 49 8.249 5.036 -3.460 1.00 0.00 N ATOM 570 CA ALA A 49 8.695 4.872 -4.874 1.00 0.00 C ATOM 571 C ALA A 49 9.121 6.213 -5.474 1.00 0.00 C ATOM 572 O ALA A 49 8.871 7.268 -4.921 1.00 0.00 O ATOM 573 CB ALA A 49 7.543 4.307 -5.696 1.00 0.00 C ATOM 0 H ALA A 49 7.364 5.529 -3.337 1.00 0.00 H new ATOM 0 HA ALA A 49 9.549 4.195 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.861 4.184 -6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.246 3.340 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.696 4.992 -5.655 1.00 0.00 H new ATOM 579 N ALA A 50 9.759 6.169 -6.614 1.00 0.00 N ATOM 580 CA ALA A 50 10.209 7.423 -7.279 1.00 0.00 C ATOM 581 C ALA A 50 9.234 7.778 -8.406 1.00 0.00 C ATOM 582 O ALA A 50 8.591 6.908 -8.990 1.00 0.00 O ATOM 583 CB ALA A 50 11.610 7.222 -7.864 1.00 0.00 C ATOM 0 H ALA A 50 9.988 5.311 -7.115 1.00 0.00 H new ATOM 0 HA ALA A 50 10.235 8.231 -6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.937 8.141 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.305 6.968 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.587 6.414 -8.595 1.00 0.00 H new ATOM 589 N GLY A 51 9.114 9.049 -8.714 1.00 0.00 N ATOM 590 CA GLY A 51 8.179 9.473 -9.793 1.00 0.00 C ATOM 591 C GLY A 51 6.848 8.754 -9.605 1.00 0.00 C ATOM 592 O GLY A 51 6.512 8.350 -8.514 1.00 0.00 O ATOM 0 H GLY A 51 9.625 9.807 -8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.032 10.553 -9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.600 9.237 -10.770 1.00 0.00 H new ATOM 596 N PRO A 52 6.132 8.613 -10.675 1.00 0.00 N ATOM 597 CA PRO A 52 4.840 7.924 -10.666 1.00 0.00 C ATOM 598 C PRO A 52 5.030 6.419 -10.919 1.00 0.00 C ATOM 599 O PRO A 52 4.280 5.832 -11.672 1.00 0.00 O ATOM 600 CB PRO A 52 4.111 8.557 -11.855 1.00 0.00 C ATOM 601 CG PRO A 52 5.209 9.108 -12.802 1.00 0.00 C ATOM 602 CD PRO A 52 6.517 9.157 -11.989 1.00 0.00 C ATOM 0 HA PRO A 52 4.310 8.019 -9.718 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.491 7.821 -12.367 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.448 9.356 -11.523 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.322 8.467 -13.677 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.943 10.100 -13.166 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.301 8.560 -12.455 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.898 10.175 -11.905 1.00 0.00 H new ATOM 610 N ALA A 53 6.021 5.771 -10.341 1.00 0.00 N ATOM 611 CA ALA A 53 6.170 4.312 -10.651 1.00 0.00 C ATOM 612 C ALA A 53 6.635 3.496 -9.438 1.00 0.00 C ATOM 613 O ALA A 53 7.295 3.989 -8.547 1.00 0.00 O ATOM 614 CB ALA A 53 7.177 4.145 -11.787 1.00 0.00 C ATOM 0 H ALA A 53 6.704 6.169 -9.696 1.00 0.00 H new ATOM 0 HA ALA A 53 5.189 3.935 -10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.291 3.086 -12.019 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.820 4.674 -12.671 1.00 0.00 H new ATOM 0 HB3 ALA A 53 8.140 4.556 -11.483 1.00 0.00 H new ATOM 620 N ALA A 54 6.297 2.226 -9.434 1.00 0.00 N ATOM 621 CA ALA A 54 6.700 1.307 -8.325 1.00 0.00 C ATOM 622 C ALA A 54 6.449 -0.136 -8.781 1.00 0.00 C ATOM 623 O ALA A 54 6.142 -0.384 -9.928 1.00 0.00 O ATOM 624 CB ALA A 54 5.867 1.594 -7.071 1.00 0.00 C ATOM 0 H ALA A 54 5.747 1.782 -10.169 1.00 0.00 H new ATOM 0 HA ALA A 54 7.753 1.457 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.170 0.919 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.027 2.625 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.811 1.443 -7.293 1.00 0.00 H new ATOM 630 N SER A 55 6.570 -1.087 -7.894 1.00 0.00 N ATOM 631 CA SER A 55 6.325 -2.510 -8.280 1.00 0.00 C ATOM 632 C SER A 55 5.809 -3.281 -7.064 1.00 0.00 C ATOM 633 O SER A 55 6.213 -3.034 -5.947 1.00 0.00 O ATOM 634 CB SER A 55 7.611 -3.144 -8.784 1.00 0.00 C ATOM 635 OG SER A 55 8.594 -2.136 -8.985 1.00 0.00 O ATOM 0 H SER A 55 6.828 -0.941 -6.918 1.00 0.00 H new ATOM 0 HA SER A 55 5.582 -2.544 -9.077 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.972 -3.879 -8.065 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.425 -3.675 -9.717 1.00 0.00 H new ATOM 0 HG SER A 55 9.423 -2.547 -9.308 1.00 0.00 H new ATOM 641 N HIS A 56 4.902 -4.199 -7.268 1.00 0.00 N ATOM 642 CA HIS A 56 4.340 -4.963 -6.117 1.00 0.00 C ATOM 643 C HIS A 56 4.948 -6.360 -6.022 1.00 0.00 C ATOM 644 O HIS A 56 5.041 -7.075 -6.994 1.00 0.00 O ATOM 645 CB HIS A 56 2.839 -5.110 -6.313 1.00 0.00 C ATOM 646 CG HIS A 56 2.133 -3.985 -5.624 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.183 -2.679 -6.083 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.339 -3.961 -4.513 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.431 -1.935 -5.256 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.890 -2.669 -4.284 1.00 0.00 N ATOM 0 H HIS A 56 4.526 -4.453 -8.182 1.00 0.00 H new ATOM 0 HA HIS A 56 4.571 -4.418 -5.202 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.598 -5.108 -7.376 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.501 -6.065 -5.912 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.696 -2.344 -6.898 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.097 -4.820 -3.904 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.283 -0.871 -5.365 1.00 0.00 H new ATOM 658 N ARG A 57 5.323 -6.760 -4.841 1.00 0.00 N ATOM 659 CA ARG A 57 5.893 -8.125 -4.650 1.00 0.00 C ATOM 660 C ARG A 57 4.802 -9.033 -4.071 1.00 0.00 C ATOM 661 O ARG A 57 4.578 -9.065 -2.878 1.00 0.00 O ATOM 662 CB ARG A 57 7.087 -8.070 -3.686 1.00 0.00 C ATOM 663 CG ARG A 57 6.746 -7.219 -2.455 1.00 0.00 C ATOM 664 CD ARG A 57 7.737 -6.058 -2.347 1.00 0.00 C ATOM 665 NE ARG A 57 7.712 -5.264 -3.609 1.00 0.00 N ATOM 666 CZ ARG A 57 8.791 -5.153 -4.335 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.948 -4.954 -3.763 1.00 0.00 N ATOM 668 NH2 ARG A 57 8.710 -5.237 -5.634 1.00 0.00 N ATOM 0 H ARG A 57 5.259 -6.197 -3.993 1.00 0.00 H new ATOM 0 HA ARG A 57 6.238 -8.516 -5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.357 -9.079 -3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.955 -7.651 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.728 -6.836 -2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.787 -7.831 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.478 -5.423 -1.500 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.742 -6.439 -2.164 1.00 0.00 H new ATOM 0 HE ARG A 57 6.850 -4.807 -3.906 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.010 -4.885 -2.747 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.790 -4.868 -4.332 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.805 -5.389 -6.080 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.551 -5.151 -6.204 1.00 0.00 H new ATOM 682 N TYR A 58 4.113 -9.763 -4.906 1.00 0.00 N ATOM 683 CA TYR A 58 3.029 -10.652 -4.397 1.00 0.00 C ATOM 684 C TYR A 58 3.528 -12.095 -4.368 1.00 0.00 C ATOM 685 O TYR A 58 3.797 -12.688 -5.391 1.00 0.00 O ATOM 686 CB TYR A 58 1.813 -10.514 -5.317 1.00 0.00 C ATOM 687 CG TYR A 58 1.150 -9.199 -5.037 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.868 -8.842 -3.717 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.803 -8.345 -6.086 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.234 -7.632 -3.443 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.172 -7.130 -5.810 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.115 -6.777 -4.485 1.00 0.00 C ATOM 693 OH TYR A 58 -0.761 -5.596 -4.202 1.00 0.00 O ATOM 0 H TYR A 58 4.253 -9.782 -5.916 1.00 0.00 H new ATOM 0 HA TYR A 58 2.744 -10.368 -3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.120 -10.568 -6.361 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.115 -11.334 -5.147 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.141 -9.504 -2.908 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.022 -8.623 -7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.013 -7.357 -2.422 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.094 -6.463 -6.617 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.684 -5.402 -3.244 1.00 0.00 H new ATOM 703 N VAL A 59 3.678 -12.655 -3.196 1.00 0.00 N ATOM 704 CA VAL A 59 4.194 -14.052 -3.099 1.00 0.00 C ATOM 705 C VAL A 59 3.105 -15.023 -2.618 1.00 0.00 C ATOM 706 O VAL A 59 3.290 -16.222 -2.657 1.00 0.00 O ATOM 707 CB VAL A 59 5.366 -14.082 -2.116 1.00 0.00 C ATOM 708 CG1 VAL A 59 4.841 -13.991 -0.680 1.00 0.00 C ATOM 709 CG2 VAL A 59 6.148 -15.387 -2.292 1.00 0.00 C ATOM 0 H VAL A 59 3.466 -12.207 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 59 4.515 -14.369 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 59 6.022 -13.234 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.680 -14.013 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.288 -13.060 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.181 -14.835 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.983 -15.408 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.490 -16.234 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.528 -15.449 -3.312 1.00 0.00 H new ATOM 719 N LEU A 60 1.979 -14.540 -2.160 1.00 0.00 N ATOM 720 CA LEU A 60 0.925 -15.484 -1.688 1.00 0.00 C ATOM 721 C LEU A 60 -0.302 -15.381 -2.595 1.00 0.00 C ATOM 722 O LEU A 60 -0.617 -14.318 -3.088 1.00 0.00 O ATOM 723 CB LEU A 60 0.537 -15.130 -0.250 1.00 0.00 C ATOM 724 CG LEU A 60 0.483 -16.402 0.595 1.00 0.00 C ATOM 725 CD1 LEU A 60 1.414 -16.258 1.801 1.00 0.00 C ATOM 726 CD2 LEU A 60 -0.951 -16.626 1.080 1.00 0.00 C ATOM 0 H LEU A 60 1.747 -13.549 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 60 1.307 -16.504 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.261 -14.432 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.432 -14.631 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 60 0.803 -17.253 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.374 -17.166 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.435 -16.097 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.097 -15.408 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.994 -17.533 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.269 -15.775 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.614 -16.730 0.221 1.00 0.00 H new ATOM 738 N PRO A 61 -0.965 -16.494 -2.783 1.00 0.00 N ATOM 739 CA PRO A 61 -2.171 -16.561 -3.623 1.00 0.00 C ATOM 740 C PRO A 61 -3.368 -15.985 -2.864 1.00 0.00 C ATOM 741 O PRO A 61 -3.705 -16.430 -1.785 1.00 0.00 O ATOM 742 CB PRO A 61 -2.347 -18.060 -3.881 1.00 0.00 C ATOM 743 CG PRO A 61 -1.597 -18.788 -2.742 1.00 0.00 C ATOM 744 CD PRO A 61 -0.575 -17.783 -2.178 1.00 0.00 C ATOM 0 HA PRO A 61 -2.091 -15.988 -4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.402 -18.332 -3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.940 -18.337 -4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.291 -19.112 -1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.097 -19.681 -3.116 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.616 -17.741 -1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.445 -18.058 -2.448 1.00 0.00 H new ATOM 752 N GLY A 62 -4.008 -14.992 -3.417 1.00 0.00 N ATOM 753 CA GLY A 62 -5.178 -14.379 -2.726 1.00 0.00 C ATOM 754 C GLY A 62 -5.452 -13.000 -3.326 1.00 0.00 C ATOM 755 O GLY A 62 -5.082 -12.718 -4.447 1.00 0.00 O ATOM 0 H GLY A 62 -3.771 -14.578 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.055 -15.017 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.979 -14.291 -1.658 1.00 0.00 H new ATOM 759 N ARG A 63 -6.102 -12.138 -2.593 1.00 0.00 N ATOM 760 CA ARG A 63 -6.398 -10.781 -3.133 1.00 0.00 C ATOM 761 C ARG A 63 -5.690 -9.721 -2.286 1.00 0.00 C ATOM 762 O ARG A 63 -5.915 -9.609 -1.096 1.00 0.00 O ATOM 763 CB ARG A 63 -7.909 -10.532 -3.104 1.00 0.00 C ATOM 764 CG ARG A 63 -8.649 -11.790 -3.561 1.00 0.00 C ATOM 765 CD ARG A 63 -9.259 -12.489 -2.345 1.00 0.00 C ATOM 766 NE ARG A 63 -10.143 -13.599 -2.798 1.00 0.00 N ATOM 767 CZ ARG A 63 -9.898 -14.823 -2.420 1.00 0.00 C ATOM 768 NH1 ARG A 63 -9.781 -15.105 -1.151 1.00 0.00 N ATOM 769 NH2 ARG A 63 -9.773 -15.767 -3.312 1.00 0.00 N ATOM 0 H ARG A 63 -6.440 -12.314 -1.647 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.040 -10.720 -4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.223 -10.260 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.161 -9.694 -3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.431 -11.527 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.963 -12.463 -4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.469 -12.879 -1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.830 -11.775 -1.751 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.940 -13.402 -3.404 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.881 -14.368 -0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.589 -16.063 -0.857 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.867 -15.547 -4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.581 -16.725 -3.018 1.00 0.00 H new ATOM 783 N TYR A 64 -4.844 -8.935 -2.893 1.00 0.00 N ATOM 784 CA TYR A 64 -4.127 -7.875 -2.130 1.00 0.00 C ATOM 785 C TYR A 64 -4.760 -6.516 -2.435 1.00 0.00 C ATOM 786 O TYR A 64 -5.355 -6.321 -3.478 1.00 0.00 O ATOM 787 CB TYR A 64 -2.665 -7.820 -2.566 1.00 0.00 C ATOM 788 CG TYR A 64 -1.929 -9.080 -2.178 1.00 0.00 C ATOM 789 CD1 TYR A 64 -1.981 -10.203 -3.012 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.156 -9.111 -1.009 1.00 0.00 C ATOM 791 CE1 TYR A 64 -1.264 -11.357 -2.677 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.432 -10.262 -0.680 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.487 -11.386 -1.513 1.00 0.00 C ATOM 794 OH TYR A 64 0.239 -12.518 -1.195 1.00 0.00 O ATOM 0 H TYR A 64 -4.618 -8.981 -3.887 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.194 -8.102 -1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.610 -7.682 -3.646 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.179 -6.957 -2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.574 -10.179 -3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.119 -8.247 -0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.310 -12.226 -3.317 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.169 -10.284 0.217 1.00 0.00 H new ATOM 0 HH TYR A 64 0.724 -12.371 -0.356 1.00 0.00 H new ATOM 804 N HIS A 65 -4.614 -5.572 -1.545 1.00 0.00 N ATOM 805 CA HIS A 65 -5.186 -4.216 -1.785 1.00 0.00 C ATOM 806 C HIS A 65 -4.034 -3.223 -1.976 1.00 0.00 C ATOM 807 O HIS A 65 -3.168 -3.096 -1.135 1.00 0.00 O ATOM 808 CB HIS A 65 -6.038 -3.801 -0.586 1.00 0.00 C ATOM 809 CG HIS A 65 -6.495 -2.379 -0.763 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.555 -2.043 -1.587 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.044 -1.197 -0.231 1.00 0.00 C ATOM 812 CE1 HIS A 65 -7.706 -0.708 -1.530 1.00 0.00 C ATOM 813 NE2 HIS A 65 -6.810 -0.142 -0.718 1.00 0.00 N ATOM 0 H HIS A 65 -4.121 -5.682 -0.659 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.813 -4.227 -2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.900 -4.462 -0.493 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.461 -3.897 0.334 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.119 -2.690 -2.137 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.220 -1.100 0.460 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.461 -0.160 -2.075 1.00 0.00 H new ATOM 821 N VAL A 66 -4.007 -2.532 -3.083 1.00 0.00 N ATOM 822 CA VAL A 66 -2.899 -1.565 -3.340 1.00 0.00 C ATOM 823 C VAL A 66 -3.393 -0.126 -3.181 1.00 0.00 C ATOM 824 O VAL A 66 -4.538 0.178 -3.432 1.00 0.00 O ATOM 825 CB VAL A 66 -2.395 -1.745 -4.772 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.258 -0.756 -5.041 1.00 0.00 C ATOM 827 CG2 VAL A 66 -1.886 -3.170 -4.964 1.00 0.00 C ATOM 0 H VAL A 66 -4.706 -2.595 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.101 -1.755 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.213 -1.558 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.898 -0.884 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.623 0.263 -4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.442 -0.941 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.528 -3.294 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.070 -3.362 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.696 -3.874 -4.776 1.00 0.00 H new ATOM 837 N THR A 67 -2.517 0.764 -2.789 1.00 0.00 N ATOM 838 CA THR A 67 -2.901 2.198 -2.635 1.00 0.00 C ATOM 839 C THR A 67 -1.672 3.061 -2.927 1.00 0.00 C ATOM 840 O THR A 67 -0.555 2.588 -2.860 1.00 0.00 O ATOM 841 CB THR A 67 -3.381 2.474 -1.205 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.332 3.086 -0.469 1.00 0.00 O ATOM 843 CG2 THR A 67 -3.786 1.165 -0.525 1.00 0.00 C ATOM 0 H THR A 67 -1.543 0.555 -2.567 1.00 0.00 H new ATOM 0 HA THR A 67 -3.710 2.433 -3.326 1.00 0.00 H new ATOM 0 HB THR A 67 -4.245 3.138 -1.238 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.635 3.265 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.125 1.372 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.593 0.697 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.929 0.492 -0.491 1.00 0.00 H new ATOM 851 N ALA A 68 -1.853 4.318 -3.249 1.00 0.00 N ATOM 852 CA ALA A 68 -0.663 5.178 -3.535 1.00 0.00 C ATOM 853 C ALA A 68 -0.951 6.643 -3.190 1.00 0.00 C ATOM 854 O ALA A 68 -2.077 7.093 -3.200 1.00 0.00 O ATOM 855 CB ALA A 68 -0.286 5.079 -5.018 1.00 0.00 C ATOM 0 H ALA A 68 -2.759 4.781 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 68 0.163 4.824 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.581 5.709 -5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.047 4.044 -5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.124 5.413 -5.630 1.00 0.00 H new ATOM 861 N VAL A 69 0.081 7.387 -2.898 1.00 0.00 N ATOM 862 CA VAL A 69 -0.078 8.828 -2.567 1.00 0.00 C ATOM 863 C VAL A 69 1.136 9.563 -3.126 1.00 0.00 C ATOM 864 O VAL A 69 2.218 9.479 -2.584 1.00 0.00 O ATOM 865 CB VAL A 69 -0.125 9.018 -1.050 1.00 0.00 C ATOM 866 CG1 VAL A 69 -1.369 9.823 -0.674 1.00 0.00 C ATOM 867 CG2 VAL A 69 -0.168 7.657 -0.352 1.00 0.00 C ATOM 0 H VAL A 69 1.043 7.049 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.004 9.213 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 69 0.769 9.555 -0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.402 9.958 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.332 10.798 -1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.261 9.288 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.201 7.803 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.056 7.112 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.723 7.086 -0.614 1.00 0.00 H new ATOM 877 N LEU A 70 0.988 10.266 -4.211 1.00 0.00 N ATOM 878 CA LEU A 70 2.176 10.963 -4.781 1.00 0.00 C ATOM 879 C LEU A 70 2.314 12.348 -4.172 1.00 0.00 C ATOM 880 O LEU A 70 1.344 12.980 -3.813 1.00 0.00 O ATOM 881 CB LEU A 70 2.059 11.130 -6.299 1.00 0.00 C ATOM 882 CG LEU A 70 0.966 10.248 -6.899 1.00 0.00 C ATOM 883 CD1 LEU A 70 0.943 10.501 -8.398 1.00 0.00 C ATOM 884 CD2 LEU A 70 1.261 8.769 -6.654 1.00 0.00 C ATOM 0 H LEU A 70 0.114 10.389 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 70 3.046 10.348 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.848 12.174 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.015 10.886 -6.763 1.00 0.00 H new ATOM 0 HG LEU A 70 0.009 10.488 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.171 9.885 -8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.728 11.553 -8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.913 10.247 -8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.468 8.163 -7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.214 8.507 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.312 8.581 -5.582 1.00 0.00 H new ATOM 896 N ALA A 71 3.517 12.838 -4.083 1.00 0.00 N ATOM 897 CA ALA A 71 3.722 14.200 -3.530 1.00 0.00 C ATOM 898 C ALA A 71 4.583 15.000 -4.495 1.00 0.00 C ATOM 899 O ALA A 71 5.731 14.686 -4.741 1.00 0.00 O ATOM 900 CB ALA A 71 4.417 14.137 -2.178 1.00 0.00 C ATOM 0 H ALA A 71 4.367 12.353 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 71 2.750 14.676 -3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.556 15.147 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.806 13.564 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.388 13.655 -2.290 1.00 0.00 H new ATOM 906 N LEU A 72 4.029 16.034 -5.039 1.00 0.00 N ATOM 907 CA LEU A 72 4.784 16.885 -5.994 1.00 0.00 C ATOM 908 C LEU A 72 5.197 18.179 -5.296 1.00 0.00 C ATOM 909 O LEU A 72 6.002 18.941 -5.795 1.00 0.00 O ATOM 910 CB LEU A 72 3.875 17.223 -7.168 1.00 0.00 C ATOM 911 CG LEU A 72 3.592 15.962 -7.989 1.00 0.00 C ATOM 912 CD1 LEU A 72 2.353 15.252 -7.436 1.00 0.00 C ATOM 913 CD2 LEU A 72 3.338 16.357 -9.444 1.00 0.00 C ATOM 0 H LEU A 72 3.070 16.334 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 72 5.671 16.357 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.940 17.648 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.345 17.979 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 72 4.449 15.291 -7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.155 14.355 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.527 14.974 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.494 15.921 -7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.136 15.463 -10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.480 17.027 -9.495 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.217 16.863 -9.842 1.00 0.00 H new ATOM 925 N GLY A 73 4.632 18.436 -4.155 1.00 0.00 N ATOM 926 CA GLY A 73 4.954 19.686 -3.414 1.00 0.00 C ATOM 927 C GLY A 73 3.682 20.522 -3.318 1.00 0.00 C ATOM 928 O GLY A 73 3.257 20.913 -2.248 1.00 0.00 O ATOM 0 H GLY A 73 3.953 17.828 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.331 19.452 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.737 20.243 -3.929 1.00 0.00 H new ATOM 932 N ALA A 74 3.063 20.784 -4.436 1.00 0.00 N ATOM 933 CA ALA A 74 1.802 21.577 -4.434 1.00 0.00 C ATOM 934 C ALA A 74 0.641 20.707 -4.932 1.00 0.00 C ATOM 935 O ALA A 74 -0.500 21.121 -4.923 1.00 0.00 O ATOM 936 CB ALA A 74 1.958 22.782 -5.359 1.00 0.00 C ATOM 0 H ALA A 74 3.379 20.480 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 74 1.593 21.915 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.036 23.363 -5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.780 23.406 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.170 22.438 -6.372 1.00 0.00 H new ATOM 942 N GLY A 75 0.921 19.506 -5.367 1.00 0.00 N ATOM 943 CA GLY A 75 -0.169 18.619 -5.866 1.00 0.00 C ATOM 944 C GLY A 75 0.100 17.179 -5.422 1.00 0.00 C ATOM 945 O GLY A 75 1.203 16.825 -5.061 1.00 0.00 O ATOM 0 H GLY A 75 1.857 19.102 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.131 18.956 -5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.225 18.671 -6.953 1.00 0.00 H new ATOM 949 N SER A 76 -0.908 16.349 -5.441 1.00 0.00 N ATOM 950 CA SER A 76 -0.724 14.931 -5.016 1.00 0.00 C ATOM 951 C SER A 76 -1.720 14.045 -5.763 1.00 0.00 C ATOM 952 O SER A 76 -2.618 14.526 -6.426 1.00 0.00 O ATOM 953 CB SER A 76 -0.977 14.822 -3.512 1.00 0.00 C ATOM 954 OG SER A 76 -2.353 14.544 -3.287 1.00 0.00 O ATOM 0 H SER A 76 -1.854 16.593 -5.734 1.00 0.00 H new ATOM 0 HA SER A 76 0.292 14.608 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.360 14.032 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.696 15.751 -3.016 1.00 0.00 H new ATOM 0 HG SER A 76 -2.519 14.472 -2.324 1.00 0.00 H new ATOM 960 N ALA A 77 -1.573 12.753 -5.659 1.00 0.00 N ATOM 961 CA ALA A 77 -2.514 11.842 -6.362 1.00 0.00 C ATOM 962 C ALA A 77 -2.780 10.609 -5.493 1.00 0.00 C ATOM 963 O ALA A 77 -1.866 9.962 -5.020 1.00 0.00 O ATOM 964 CB ALA A 77 -1.899 11.414 -7.692 1.00 0.00 C ATOM 0 H ALA A 77 -0.842 12.291 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.456 12.358 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.585 10.745 -8.212 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.714 12.294 -8.307 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.958 10.896 -7.508 1.00 0.00 H new ATOM 970 N LEU A 78 -4.028 10.286 -5.277 1.00 0.00 N ATOM 971 CA LEU A 78 -4.364 9.103 -4.433 1.00 0.00 C ATOM 972 C LEU A 78 -4.592 7.877 -5.317 1.00 0.00 C ATOM 973 O LEU A 78 -5.167 7.966 -6.382 1.00 0.00 O ATOM 974 CB LEU A 78 -5.634 9.399 -3.634 1.00 0.00 C ATOM 975 CG LEU A 78 -5.907 8.254 -2.657 1.00 0.00 C ATOM 976 CD1 LEU A 78 -5.423 8.646 -1.262 1.00 0.00 C ATOM 977 CD2 LEU A 78 -7.409 7.971 -2.613 1.00 0.00 C ATOM 0 H LEU A 78 -4.831 10.792 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.538 8.901 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.522 10.336 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.480 9.523 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.377 7.361 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.618 7.830 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.353 8.849 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.953 9.539 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.605 7.155 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.938 8.865 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.756 7.691 -3.608 1.00 0.00 H new ATOM 989 N LEU A 79 -4.134 6.735 -4.880 1.00 0.00 N ATOM 990 CA LEU A 79 -4.306 5.500 -5.688 1.00 0.00 C ATOM 991 C LEU A 79 -4.918 4.398 -4.829 1.00 0.00 C ATOM 992 O LEU A 79 -4.818 4.411 -3.617 1.00 0.00 O ATOM 993 CB LEU A 79 -2.932 5.041 -6.171 1.00 0.00 C ATOM 994 CG LEU A 79 -2.887 4.905 -7.693 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.744 3.431 -8.065 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.157 5.477 -8.322 1.00 0.00 C ATOM 0 H LEU A 79 -3.646 6.607 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.963 5.705 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.175 5.754 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.686 4.084 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.032 5.465 -8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.712 3.331 -9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.823 3.035 -7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.595 2.873 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.106 5.371 -9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.025 4.936 -7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.247 6.532 -8.065 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.537 3.439 -5.460 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.159 2.314 -4.710 1.00 0.00 C ATOM 1010 C GLY A 80 -6.473 1.168 -5.680 1.00 0.00 C ATOM 1011 O GLY A 80 -7.567 1.071 -6.199 1.00 0.00 O ATOM 0 H GLY A 80 -5.639 3.387 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.485 1.968 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.072 2.650 -4.219 1.00 0.00 H new ATOM 1015 N THR A 81 -5.526 0.298 -5.929 1.00 0.00 N ATOM 1016 CA THR A 81 -5.787 -0.835 -6.872 1.00 0.00 C ATOM 1017 C THR A 81 -5.986 -2.132 -6.081 1.00 0.00 C ATOM 1018 O THR A 81 -5.986 -2.137 -4.868 1.00 0.00 O ATOM 1019 CB THR A 81 -4.606 -1.011 -7.846 1.00 0.00 C ATOM 1020 OG1 THR A 81 -3.849 -2.155 -7.476 1.00 0.00 O ATOM 1021 CG2 THR A 81 -3.697 0.220 -7.825 1.00 0.00 C ATOM 0 H THR A 81 -4.590 0.322 -5.524 1.00 0.00 H new ATOM 0 HA THR A 81 -6.687 -0.609 -7.443 1.00 0.00 H new ATOM 0 HB THR A 81 -5.006 -1.137 -8.852 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.710 -2.724 -8.262 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.870 0.074 -8.520 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.269 1.100 -8.121 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.304 0.365 -6.819 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.151 -3.231 -6.769 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.339 -4.543 -6.086 1.00 0.00 C ATOM 1031 C ASP A 82 -5.787 -5.638 -7.000 1.00 0.00 C ATOM 1032 O ASP A 82 -5.843 -5.523 -8.207 1.00 0.00 O ATOM 1033 CB ASP A 82 -7.829 -4.787 -5.843 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.141 -4.594 -4.359 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.400 -3.468 -3.973 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.118 -5.576 -3.636 1.00 0.00 O ATOM 0 H ASP A 82 -6.163 -3.275 -7.788 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.819 -4.548 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.424 -4.099 -6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.099 -5.796 -6.154 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.251 -6.696 -6.454 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.706 -7.767 -7.329 1.00 0.00 C ATOM 1043 C VAL A 83 -5.219 -9.125 -6.857 1.00 0.00 C ATOM 1044 O VAL A 83 -5.470 -9.335 -5.689 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.169 -7.762 -7.291 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.641 -6.805 -6.218 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.672 -9.166 -6.963 1.00 0.00 C ATOM 0 H VAL A 83 -5.168 -6.862 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.035 -7.583 -8.352 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.809 -7.435 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.551 -6.825 -6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.985 -5.793 -6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.010 -7.115 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.582 -9.169 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.061 -9.472 -5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.017 -9.862 -7.728 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.371 -10.051 -7.765 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.860 -11.404 -7.385 1.00 0.00 C ATOM 1059 C GLN A 84 -4.792 -12.438 -7.747 1.00 0.00 C ATOM 1060 O GLN A 84 -4.797 -13.000 -8.824 1.00 0.00 O ATOM 1061 CB GLN A 84 -7.148 -11.706 -8.149 1.00 0.00 C ATOM 1062 CG GLN A 84 -8.134 -10.551 -7.959 1.00 0.00 C ATOM 1063 CD GLN A 84 -9.563 -11.068 -8.128 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -10.274 -10.644 -9.017 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -10.019 -11.973 -7.305 1.00 0.00 N ATOM 0 H GLN A 84 -5.176 -9.926 -8.758 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.058 -11.443 -6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.932 -11.844 -9.208 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.587 -12.637 -7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.010 -10.112 -6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.932 -9.763 -8.685 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.423 -12.330 -6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.971 -12.323 -7.409 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.869 -12.683 -6.859 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.795 -13.671 -7.153 1.00 0.00 C ATOM 1076 C VAL A 85 -3.355 -15.090 -7.054 1.00 0.00 C ATOM 1077 O VAL A 85 -4.070 -15.424 -6.130 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.659 -13.497 -6.145 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.581 -14.549 -6.404 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -1.054 -12.100 -6.302 1.00 0.00 C ATOM 0 H VAL A 85 -3.812 -12.241 -5.942 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.418 -13.506 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.047 -13.617 -5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.229 -14.425 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.011 -15.545 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.191 -14.429 -7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.243 -11.972 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.665 -11.983 -7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.822 -11.348 -6.120 1.00 0.00 H new ATOM 1090 N GLU A 86 -3.037 -15.927 -8.004 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.548 -17.326 -7.972 1.00 0.00 C ATOM 1092 C GLU A 86 -2.398 -18.285 -7.661 1.00 0.00 C ATOM 1093 O GLU A 86 -1.256 -17.884 -7.526 1.00 0.00 O ATOM 1094 CB GLU A 86 -4.145 -17.677 -9.335 1.00 0.00 C ATOM 1095 CG GLU A 86 -5.295 -16.718 -9.654 1.00 0.00 C ATOM 1096 CD GLU A 86 -6.156 -17.307 -10.772 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -6.707 -18.376 -10.569 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -6.250 -16.679 -11.814 1.00 0.00 O ATOM 0 H GLU A 86 -2.444 -15.701 -8.802 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.313 -17.416 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.378 -17.611 -10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.506 -18.705 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.901 -16.551 -8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.900 -15.748 -9.957 1.00 0.00 H new ATOM 1105 N ALA A 87 -2.691 -19.552 -7.548 1.00 0.00 N ATOM 1106 CA ALA A 87 -1.622 -20.544 -7.249 1.00 0.00 C ATOM 1107 C ALA A 87 -1.712 -21.706 -8.239 1.00 0.00 C ATOM 1108 O ALA A 87 -0.826 -21.918 -9.043 1.00 0.00 O ATOM 1109 CB ALA A 87 -1.799 -21.071 -5.823 1.00 0.00 C ATOM 0 H ALA A 87 -3.628 -19.943 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.647 -20.066 -7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.016 -21.797 -5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.733 -20.242 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.774 -21.549 -5.730 1.00 0.00 H new