USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 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= 0.0421 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.365 X(o=-0.36,f=-0.49) USER MOD Single : A 16 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.16) USER MOD Single : A 21 THR OG1 : rot -58:sc= 0.265! USER MOD Single : A 25 SER OG : rot -81:sc= 0.593 USER MOD Single : A 26 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.4) USER MOD Single : A 27 HIS : no HD1:sc= 0.0512 K(o=0.051,f=-0.8) USER MOD Single : A 30 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.67) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -9.16! C(o=-9.2!,f=-6.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc=-0.00244 K(o=-0.0024,f=-1.7!) USER MOD Single : A 55 GLN : amide:sc= -7.36! C(o=-7.4!,f=-4.4!) USER MOD Single : A 57 GLN : amide:sc= -1.14! K(o=-1.1!,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -104:sc= -0.55 (180deg=-1.74!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.116 USER MOD Single : A 79 GLN : amide:sc= -3.35! C(o=-3.4!,f=-0.53!) USER MOD Single : A 82 SER OG : rot 69:sc= -4.97! USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00265 USER MOD Single : A 89 GLN : amide:sc= -7.41! C(o=-7.4!,f=-4.4!) USER MOD Single : A 92 ASN : amide:sc= -1.22! K(o=-1.2!,f=-0.055) USER MOD Single : A 93 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.31) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.125 -7.900 38.694 1.00 0.00 N ATOM 2 CA GLY A 1 -10.962 -7.640 37.798 1.00 0.00 C ATOM 3 C GLY A 1 -11.331 -8.003 36.365 1.00 0.00 C ATOM 4 O GLY A 1 -11.534 -9.175 36.045 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.872 -7.652 39.672 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.934 -7.323 38.389 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.381 -8.907 38.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.673 -6.591 37.855 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.102 -8.226 38.122 1.00 0.00 H new ATOM 10 N SER A 2 -11.418 -6.993 35.506 1.00 0.00 N ATOM 11 CA SER A 2 -11.765 -7.223 34.108 1.00 0.00 C ATOM 12 C SER A 2 -10.824 -6.453 33.186 1.00 0.00 C ATOM 13 O SER A 2 -9.720 -6.910 32.890 1.00 0.00 O ATOM 14 CB SER A 2 -13.207 -6.786 33.851 1.00 0.00 C ATOM 15 OG SER A 2 -14.093 -7.792 34.325 1.00 0.00 O ATOM 0 H SER A 2 -11.255 -6.016 35.750 1.00 0.00 H new ATOM 0 HA SER A 2 -11.665 -8.288 33.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.408 -5.841 34.355 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.364 -6.619 32.785 1.00 0.00 H new ATOM 0 HG SER A 2 -15.019 -7.515 34.164 1.00 0.00 H new ATOM 21 N SER A 3 -11.267 -5.285 32.736 1.00 0.00 N ATOM 22 CA SER A 3 -10.450 -4.466 31.846 1.00 0.00 C ATOM 23 C SER A 3 -9.191 -3.994 32.565 1.00 0.00 C ATOM 24 O SER A 3 -9.165 -3.901 33.793 1.00 0.00 O ATOM 25 CB SER A 3 -11.251 -3.255 31.370 1.00 0.00 C ATOM 26 OG SER A 3 -11.350 -2.311 32.429 1.00 0.00 O ATOM 0 H SER A 3 -12.177 -4.886 32.969 1.00 0.00 H new ATOM 0 HA SER A 3 -10.161 -5.070 30.986 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.766 -2.800 30.506 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.246 -3.565 31.050 1.00 0.00 H new ATOM 0 HG SER A 3 -11.862 -1.532 32.126 1.00 0.00 H new ATOM 32 N LEU A 4 -8.150 -3.694 31.795 1.00 0.00 N ATOM 33 CA LEU A 4 -6.894 -3.231 32.376 1.00 0.00 C ATOM 34 C LEU A 4 -6.584 -1.812 31.909 1.00 0.00 C ATOM 35 O LEU A 4 -6.768 -0.850 32.654 1.00 0.00 O ATOM 36 CB LEU A 4 -5.756 -4.169 31.969 1.00 0.00 C ATOM 37 CG LEU A 4 -4.584 -4.012 32.943 1.00 0.00 C ATOM 38 CD1 LEU A 4 -4.176 -2.541 33.027 1.00 0.00 C ATOM 39 CD2 LEU A 4 -5.011 -4.498 34.330 1.00 0.00 C ATOM 0 H LEU A 4 -8.150 -3.762 30.777 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.991 -3.231 33.462 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.105 -5.201 31.969 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.431 -3.942 30.954 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.738 -4.602 32.589 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.342 -2.434 33.721 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.874 -2.190 32.040 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.020 -1.949 33.380 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.179 -4.388 35.026 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.857 -3.906 34.679 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.301 -5.547 34.275 1.00 0.00 H new ATOM 51 N SER A 5 -6.113 -1.691 30.673 1.00 0.00 N ATOM 52 CA SER A 5 -5.781 -0.384 30.119 1.00 0.00 C ATOM 53 C SER A 5 -6.928 0.140 29.259 1.00 0.00 C ATOM 54 O SER A 5 -7.779 -0.626 28.804 1.00 0.00 O ATOM 55 CB SER A 5 -4.508 -0.484 29.276 1.00 0.00 C ATOM 56 OG SER A 5 -4.053 -1.830 29.273 1.00 0.00 O ATOM 0 H SER A 5 -5.953 -2.475 30.040 1.00 0.00 H new ATOM 0 HA SER A 5 -5.616 0.310 30.943 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.706 -0.152 28.257 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.737 0.172 29.681 1.00 0.00 H new ATOM 0 HG SER A 5 -3.238 -1.899 28.733 1.00 0.00 H new ATOM 62 N PRO A 6 -6.960 1.424 29.034 1.00 0.00 N ATOM 63 CA PRO A 6 -8.017 2.072 28.211 1.00 0.00 C ATOM 64 C PRO A 6 -8.234 1.337 26.890 1.00 0.00 C ATOM 65 O PRO A 6 -7.282 0.819 26.307 1.00 0.00 O ATOM 66 CB PRO A 6 -7.495 3.494 27.954 1.00 0.00 C ATOM 67 CG PRO A 6 -6.159 3.604 28.628 1.00 0.00 C ATOM 68 CD PRO A 6 -5.993 2.395 29.546 1.00 0.00 C ATOM 0 HA PRO A 6 -8.981 2.063 28.720 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.403 3.683 26.884 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.188 4.236 28.350 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.360 3.633 27.887 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.096 4.529 29.201 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.977 2.003 29.509 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -6.198 2.652 30.585 1.00 0.00 H new ATOM 76 N GLN A 7 -9.489 1.300 26.433 1.00 0.00 N ATOM 77 CA GLN A 7 -9.837 0.627 25.177 1.00 0.00 C ATOM 78 C GLN A 7 -8.594 0.128 24.452 1.00 0.00 C ATOM 79 O GLN A 7 -7.921 0.888 23.757 1.00 0.00 O ATOM 80 CB GLN A 7 -10.603 1.588 24.265 1.00 0.00 C ATOM 81 CG GLN A 7 -12.051 1.704 24.741 1.00 0.00 C ATOM 82 CD GLN A 7 -12.800 2.714 23.879 1.00 0.00 C ATOM 83 OE1 GLN A 7 -13.742 2.353 23.175 1.00 0.00 O ATOM 84 NE2 GLN A 7 -12.428 3.965 23.888 1.00 0.00 N ATOM 0 H GLN A 7 -10.281 1.728 26.913 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.462 -0.232 25.421 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.128 2.569 24.273 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.576 1.228 23.236 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.540 0.732 24.686 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.076 2.015 25.786 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.646 4.260 24.473 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.919 4.647 23.310 1.00 0.00 H new ATOM 93 N ALA A 8 -8.292 -1.154 24.624 1.00 0.00 N ATOM 94 CA ALA A 8 -7.123 -1.742 23.985 1.00 0.00 C ATOM 95 C ALA A 8 -7.337 -1.860 22.481 1.00 0.00 C ATOM 96 O ALA A 8 -8.284 -2.500 22.025 1.00 0.00 O ATOM 97 CB ALA A 8 -6.849 -3.127 24.575 1.00 0.00 C ATOM 0 H ALA A 8 -8.836 -1.800 25.196 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.266 -1.093 24.167 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.973 -3.561 24.093 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.666 -3.037 25.646 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.712 -3.771 24.408 1.00 0.00 H new ATOM 103 N LEU A 9 -6.445 -1.239 21.717 1.00 0.00 N ATOM 104 CA LEU A 9 -6.538 -1.280 20.264 1.00 0.00 C ATOM 105 C LEU A 9 -5.805 -2.505 19.705 1.00 0.00 C ATOM 106 O LEU A 9 -4.795 -2.945 20.253 1.00 0.00 O ATOM 107 CB LEU A 9 -6.012 0.033 19.649 1.00 0.00 C ATOM 108 CG LEU A 9 -4.494 0.215 19.847 1.00 0.00 C ATOM 109 CD1 LEU A 9 -4.072 -0.158 21.271 1.00 0.00 C ATOM 110 CD2 LEU A 9 -3.726 -0.646 18.843 1.00 0.00 C ATOM 0 H LEU A 9 -5.654 -0.705 22.078 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.588 -1.376 19.986 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.240 0.047 18.583 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.537 0.876 20.098 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.259 1.266 19.682 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.996 -0.019 21.380 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.594 0.480 21.984 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.325 -1.201 21.464 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.655 -0.510 18.992 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.983 -1.695 18.992 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.992 -0.348 17.829 1.00 0.00 H new ATOM 122 N ALA A 10 -6.348 -3.072 18.628 1.00 0.00 N ATOM 123 CA ALA A 10 -5.764 -4.265 18.013 1.00 0.00 C ATOM 124 C ALA A 10 -4.415 -3.954 17.369 1.00 0.00 C ATOM 125 O ALA A 10 -3.801 -2.930 17.653 1.00 0.00 O ATOM 126 CB ALA A 10 -6.721 -4.820 16.956 1.00 0.00 C ATOM 0 H ALA A 10 -7.188 -2.727 18.164 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.605 -5.007 18.796 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.284 -5.708 16.500 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.669 -5.083 17.426 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.893 -4.065 16.189 1.00 0.00 H new ATOM 132 N GLN A 11 -3.955 -4.850 16.500 1.00 0.00 N ATOM 133 CA GLN A 11 -2.678 -4.655 15.825 1.00 0.00 C ATOM 134 C GLN A 11 -2.871 -3.857 14.534 1.00 0.00 C ATOM 135 O GLN A 11 -3.569 -4.304 13.624 1.00 0.00 O ATOM 136 CB GLN A 11 -2.053 -6.011 15.495 1.00 0.00 C ATOM 137 CG GLN A 11 -1.369 -6.579 16.741 1.00 0.00 C ATOM 138 CD GLN A 11 -0.202 -5.685 17.148 1.00 0.00 C ATOM 139 OE1 GLN A 11 -0.299 -4.942 18.124 1.00 0.00 O ATOM 140 NE2 GLN A 11 0.902 -5.712 16.452 1.00 0.00 N ATOM 0 H GLN A 11 -4.443 -5.710 16.249 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.017 -4.099 16.490 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.821 -6.700 15.143 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.328 -5.902 14.688 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.086 -6.650 17.559 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.012 -7.589 16.541 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.980 -6.329 15.643 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.687 -5.116 16.717 1.00 0.00 H new ATOM 149 N PRO A 12 -2.274 -2.694 14.431 1.00 0.00 N ATOM 150 CA PRO A 12 -2.403 -1.845 13.217 1.00 0.00 C ATOM 151 C PRO A 12 -1.873 -2.551 11.974 1.00 0.00 C ATOM 152 O PRO A 12 -1.057 -3.467 12.071 1.00 0.00 O ATOM 153 CB PRO A 12 -1.574 -0.590 13.504 1.00 0.00 C ATOM 154 CG PRO A 12 -0.979 -0.738 14.869 1.00 0.00 C ATOM 155 CD PRO A 12 -1.424 -2.077 15.458 1.00 0.00 C ATOM 0 HA PRO A 12 -3.449 -1.615 13.015 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.790 -0.471 12.756 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.200 0.301 13.455 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.109 -0.693 14.813 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.300 0.082 15.511 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.566 -2.709 15.689 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.974 -1.933 16.388 1.00 0.00 H new ATOM 163 N LEU A 13 -2.327 -2.108 10.808 1.00 0.00 N ATOM 164 CA LEU A 13 -1.875 -2.698 9.558 1.00 0.00 C ATOM 165 C LEU A 13 -0.525 -2.110 9.190 1.00 0.00 C ATOM 166 O LEU A 13 -0.360 -0.891 9.162 1.00 0.00 O ATOM 167 CB LEU A 13 -2.882 -2.400 8.443 1.00 0.00 C ATOM 168 CG LEU A 13 -2.593 -3.280 7.223 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.704 -3.086 6.194 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.256 -2.880 6.598 1.00 0.00 C ATOM 0 H LEU A 13 -3.001 -1.350 10.704 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.789 -3.778 9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.896 -2.582 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.826 -1.348 8.164 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.547 -4.324 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.505 -3.709 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.660 -3.370 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.741 -2.040 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.057 -3.510 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.298 -1.836 6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.459 -3.008 7.330 1.00 0.00 H new ATOM 182 N LEU A 14 0.440 -2.972 8.904 1.00 0.00 N ATOM 183 CA LEU A 14 1.753 -2.500 8.538 1.00 0.00 C ATOM 184 C LEU A 14 1.890 -2.464 7.023 1.00 0.00 C ATOM 185 O LEU A 14 1.792 -3.489 6.347 1.00 0.00 O ATOM 186 CB LEU A 14 2.802 -3.410 9.173 1.00 0.00 C ATOM 187 CG LEU A 14 2.633 -3.388 10.694 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.805 -4.118 11.352 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.592 -1.937 11.186 1.00 0.00 C ATOM 0 H LEU A 14 0.335 -3.986 8.920 1.00 0.00 H new ATOM 0 HA LEU A 14 1.903 -1.485 8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.693 -4.428 8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.803 -3.076 8.901 1.00 0.00 H new ATOM 0 HG LEU A 14 1.701 -3.887 10.960 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.682 -4.101 12.435 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.831 -5.151 11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.738 -3.623 11.085 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.472 -1.923 12.269 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.522 -1.435 10.918 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.753 -1.419 10.721 1.00 0.00 H new ATOM 201 N LEU A 15 2.092 -1.262 6.502 1.00 0.00 N ATOM 202 CA LEU A 15 2.216 -1.058 5.067 1.00 0.00 C ATOM 203 C LEU A 15 3.558 -0.400 4.751 1.00 0.00 C ATOM 204 O LEU A 15 3.935 0.583 5.386 1.00 0.00 O ATOM 205 CB LEU A 15 1.061 -0.156 4.608 1.00 0.00 C ATOM 206 CG LEU A 15 0.850 -0.270 3.098 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.084 0.261 2.375 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.613 -1.734 2.722 1.00 0.00 C ATOM 0 H LEU A 15 2.174 -0.409 7.056 1.00 0.00 H new ATOM 0 HA LEU A 15 2.171 -2.013 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.146 -0.436 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.275 0.879 4.873 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.020 0.317 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.937 0.181 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.242 1.306 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.956 -0.324 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.463 -1.813 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.479 -2.329 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.272 -2.104 3.240 1.00 0.00 H new ATOM 220 N GLN A 16 4.282 -0.941 3.771 1.00 0.00 N ATOM 221 CA GLN A 16 5.576 -0.371 3.410 1.00 0.00 C ATOM 222 C GLN A 16 5.680 -0.122 1.912 1.00 0.00 C ATOM 223 O GLN A 16 4.989 -0.754 1.113 1.00 0.00 O ATOM 224 CB GLN A 16 6.711 -1.293 3.854 1.00 0.00 C ATOM 225 CG GLN A 16 6.986 -1.082 5.343 1.00 0.00 C ATOM 226 CD GLN A 16 8.139 -1.975 5.790 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.583 -1.890 6.935 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.652 -2.832 4.949 1.00 0.00 N ATOM 0 H GLN A 16 4.001 -1.755 3.225 1.00 0.00 H new ATOM 0 HA GLN A 16 5.663 0.586 3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.444 -2.333 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.610 -1.086 3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.230 -0.037 5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.092 -1.311 5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.282 -2.900 4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.423 -3.433 5.240 1.00 0.00 H new ATOM 237 N LEU A 17 6.550 0.811 1.546 1.00 0.00 N ATOM 238 CA LEU A 17 6.747 1.153 0.147 1.00 0.00 C ATOM 239 C LEU A 17 8.228 1.332 -0.163 1.00 0.00 C ATOM 240 O LEU A 17 8.916 2.125 0.480 1.00 0.00 O ATOM 241 CB LEU A 17 5.993 2.446 -0.178 1.00 0.00 C ATOM 242 CG LEU A 17 6.158 2.791 -1.661 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.232 1.913 -2.506 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.797 4.261 -1.879 1.00 0.00 C ATOM 0 H LEU A 17 7.128 1.342 2.198 1.00 0.00 H new ATOM 0 HA LEU A 17 6.361 0.339 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.936 2.330 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.372 3.262 0.438 1.00 0.00 H new ATOM 0 HG LEU A 17 7.191 2.614 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.354 2.164 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.484 0.864 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.197 2.085 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.913 4.512 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.763 4.430 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.457 4.890 -1.282 1.00 0.00 H new ATOM 256 N PHE A 18 8.712 0.602 -1.163 1.00 0.00 N ATOM 257 CA PHE A 18 10.108 0.704 -1.559 1.00 0.00 C ATOM 258 C PHE A 18 10.233 1.682 -2.714 1.00 0.00 C ATOM 259 O PHE A 18 9.635 1.481 -3.771 1.00 0.00 O ATOM 260 CB PHE A 18 10.642 -0.662 -1.995 1.00 0.00 C ATOM 261 CG PHE A 18 10.806 -1.557 -0.792 1.00 0.00 C ATOM 262 CD1 PHE A 18 11.962 -1.464 -0.011 1.00 0.00 C ATOM 263 CD2 PHE A 18 9.810 -2.484 -0.463 1.00 0.00 C ATOM 264 CE1 PHE A 18 12.124 -2.294 1.099 1.00 0.00 C ATOM 265 CE2 PHE A 18 9.972 -3.318 0.650 1.00 0.00 C ATOM 266 CZ PHE A 18 11.130 -3.224 1.432 1.00 0.00 C ATOM 0 H PHE A 18 8.162 -0.061 -1.709 1.00 0.00 H new ATOM 0 HA PHE A 18 10.690 1.055 -0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.957 -1.119 -2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.599 -0.543 -2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.730 -0.749 -0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.918 -2.556 -1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.017 -2.220 1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.204 -4.033 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.257 -3.867 2.290 1.00 0.00 H new ATOM 276 N VAL A 19 10.995 2.748 -2.509 1.00 0.00 N ATOM 277 CA VAL A 19 11.151 3.746 -3.557 1.00 0.00 C ATOM 278 C VAL A 19 12.611 4.118 -3.774 1.00 0.00 C ATOM 279 O VAL A 19 13.443 3.997 -2.873 1.00 0.00 O ATOM 280 CB VAL A 19 10.361 4.997 -3.187 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.907 4.613 -2.906 1.00 0.00 C ATOM 282 CG2 VAL A 19 10.971 5.631 -1.934 1.00 0.00 C ATOM 0 H VAL A 19 11.504 2.942 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 19 10.773 3.317 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 19 10.398 5.710 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.340 5.505 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.472 4.158 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.871 3.902 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.408 6.525 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.932 4.919 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.009 5.901 -2.131 1.00 0.00 H new ATOM 292 N ASP A 20 12.903 4.593 -4.981 1.00 0.00 N ATOM 293 CA ASP A 20 14.250 5.014 -5.330 1.00 0.00 C ATOM 294 C ASP A 20 14.365 6.528 -5.181 1.00 0.00 C ATOM 295 O ASP A 20 15.312 7.144 -5.666 1.00 0.00 O ATOM 296 CB ASP A 20 14.578 4.600 -6.766 1.00 0.00 C ATOM 297 CG ASP A 20 13.691 5.357 -7.748 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.030 6.289 -7.323 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.689 4.992 -8.911 1.00 0.00 O ATOM 0 H ASP A 20 12.221 4.695 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 20 14.961 4.532 -4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.627 4.804 -6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.431 3.527 -6.885 1.00 0.00 H new ATOM 304 N THR A 21 13.382 7.110 -4.497 1.00 0.00 N ATOM 305 CA THR A 21 13.347 8.551 -4.262 1.00 0.00 C ATOM 306 C THR A 21 12.927 9.323 -5.515 1.00 0.00 C ATOM 307 O THR A 21 12.937 10.553 -5.519 1.00 0.00 O ATOM 308 CB THR A 21 14.720 9.040 -3.793 1.00 0.00 C ATOM 309 OG1 THR A 21 15.579 9.194 -4.914 1.00 0.00 O ATOM 310 CG2 THR A 21 15.317 8.020 -2.823 1.00 0.00 C ATOM 0 H THR A 21 12.595 6.602 -4.094 1.00 0.00 H new ATOM 0 HA THR A 21 12.603 8.738 -3.487 1.00 0.00 H new ATOM 0 HB THR A 21 14.612 10.000 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.649 8.341 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.295 8.366 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.657 7.907 -1.963 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.425 7.059 -3.326 1.00 0.00 H new ATOM 318 N ARG A 22 12.538 8.605 -6.567 1.00 0.00 N ATOM 319 CA ARG A 22 12.099 9.262 -7.795 1.00 0.00 C ATOM 320 C ARG A 22 10.718 9.884 -7.581 1.00 0.00 C ATOM 321 O ARG A 22 9.901 9.351 -6.829 1.00 0.00 O ATOM 322 CB ARG A 22 12.059 8.262 -8.957 1.00 0.00 C ATOM 323 CG ARG A 22 10.915 7.266 -8.757 1.00 0.00 C ATOM 324 CD ARG A 22 11.092 6.082 -9.716 1.00 0.00 C ATOM 325 NE ARG A 22 10.241 6.243 -10.890 1.00 0.00 N ATOM 326 CZ ARG A 22 10.762 6.427 -12.099 1.00 0.00 C ATOM 327 NH1 ARG A 22 12.014 6.779 -12.225 1.00 0.00 N ATOM 328 NH2 ARG A 22 10.023 6.255 -13.162 1.00 0.00 N ATOM 0 H ARG A 22 12.518 7.586 -6.595 1.00 0.00 H new ATOM 0 HA ARG A 22 12.810 10.049 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.928 8.793 -9.900 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.008 7.729 -9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.902 6.913 -7.726 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.958 7.755 -8.939 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.135 6.008 -10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.844 5.152 -9.205 1.00 0.00 H new ATOM 0 HE ARG A 22 9.227 6.214 -10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.592 6.913 -11.395 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.413 6.920 -13.153 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.046 5.979 -13.065 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.423 6.396 -14.090 1.00 0.00 H new ATOM 342 N PRO A 23 10.459 11.006 -8.199 1.00 0.00 N ATOM 343 CA PRO A 23 9.163 11.724 -8.047 1.00 0.00 C ATOM 344 C PRO A 23 7.967 10.804 -8.261 1.00 0.00 C ATOM 345 O PRO A 23 6.971 10.893 -7.545 1.00 0.00 O ATOM 346 CB PRO A 23 9.184 12.814 -9.126 1.00 0.00 C ATOM 347 CG PRO A 23 10.469 12.671 -9.878 1.00 0.00 C ATOM 348 CD PRO A 23 11.370 11.705 -9.105 1.00 0.00 C ATOM 0 HA PRO A 23 9.057 12.124 -7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.332 12.707 -9.797 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.111 13.803 -8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.281 12.294 -10.883 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.956 13.640 -9.987 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.875 11.010 -9.775 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.146 12.238 -8.555 1.00 0.00 H new ATOM 356 N LEU A 24 8.071 9.923 -9.251 1.00 0.00 N ATOM 357 CA LEU A 24 6.984 8.999 -9.548 1.00 0.00 C ATOM 358 C LEU A 24 6.601 8.207 -8.302 1.00 0.00 C ATOM 359 O LEU A 24 5.419 8.049 -7.995 1.00 0.00 O ATOM 360 CB LEU A 24 7.413 8.031 -10.648 1.00 0.00 C ATOM 361 CG LEU A 24 6.236 7.125 -11.015 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.251 7.883 -11.911 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.759 5.893 -11.756 1.00 0.00 C ATOM 0 H LEU A 24 8.888 9.830 -9.855 1.00 0.00 H new ATOM 0 HA LEU A 24 6.122 9.576 -9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.747 8.585 -11.525 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.257 7.430 -10.310 1.00 0.00 H new ATOM 0 HG LEU A 24 5.722 6.816 -10.105 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.416 7.231 -12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.877 8.759 -11.381 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.758 8.199 -12.823 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.923 5.245 -12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.275 6.206 -12.663 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.452 5.349 -11.114 1.00 0.00 H new ATOM 375 N SER A 25 7.608 7.718 -7.581 1.00 0.00 N ATOM 376 CA SER A 25 7.360 6.953 -6.367 1.00 0.00 C ATOM 377 C SER A 25 6.692 7.843 -5.330 1.00 0.00 C ATOM 378 O SER A 25 5.724 7.444 -4.682 1.00 0.00 O ATOM 379 CB SER A 25 8.675 6.411 -5.812 1.00 0.00 C ATOM 380 OG SER A 25 9.418 7.479 -5.237 1.00 0.00 O ATOM 0 H SER A 25 8.593 7.838 -7.816 1.00 0.00 H new ATOM 0 HA SER A 25 6.703 6.115 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.478 5.645 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.251 5.938 -6.607 1.00 0.00 H new ATOM 0 HG SER A 25 9.893 7.965 -5.943 1.00 0.00 H new ATOM 386 N GLN A 26 7.190 9.070 -5.208 1.00 0.00 N ATOM 387 CA GLN A 26 6.600 10.025 -4.283 1.00 0.00 C ATOM 388 C GLN A 26 5.193 10.329 -4.759 1.00 0.00 C ATOM 389 O GLN A 26 4.267 10.511 -3.969 1.00 0.00 O ATOM 390 CB GLN A 26 7.434 11.306 -4.245 1.00 0.00 C ATOM 391 CG GLN A 26 8.826 10.993 -3.690 1.00 0.00 C ATOM 392 CD GLN A 26 8.715 10.510 -2.248 1.00 0.00 C ATOM 393 OE1 GLN A 26 8.134 11.196 -1.407 1.00 0.00 O ATOM 394 NE2 GLN A 26 9.237 9.362 -1.911 1.00 0.00 N ATOM 0 H GLN A 26 7.991 9.421 -5.732 1.00 0.00 H new ATOM 0 HA GLN A 26 6.575 9.609 -3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.517 11.729 -5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.943 12.054 -3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.308 10.230 -4.302 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.454 11.883 -3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.718 8.796 -2.610 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.164 9.031 -0.949 1.00 0.00 H new ATOM 403 N HIS A 27 5.052 10.345 -6.079 1.00 0.00 N ATOM 404 CA HIS A 27 3.771 10.586 -6.718 1.00 0.00 C ATOM 405 C HIS A 27 2.804 9.496 -6.274 1.00 0.00 C ATOM 406 O HIS A 27 1.692 9.760 -5.810 1.00 0.00 O ATOM 407 CB HIS A 27 3.973 10.505 -8.231 1.00 0.00 C ATOM 408 CG HIS A 27 3.060 11.450 -8.948 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.762 11.707 -8.537 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.262 12.216 -10.065 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.236 12.599 -9.398 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.109 12.942 -10.351 1.00 0.00 N ATOM 0 H HIS A 27 5.821 10.192 -6.731 1.00 0.00 H new ATOM 0 HA HIS A 27 3.373 11.564 -6.448 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.009 10.739 -8.476 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.788 9.486 -8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.177 12.252 -10.637 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.232 12.990 -9.327 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.962 13.595 -11.121 1.00 0.00 H new ATOM 420 N ILE A 28 3.273 8.259 -6.408 1.00 0.00 N ATOM 421 CA ILE A 28 2.499 7.095 -6.016 1.00 0.00 C ATOM 422 C ILE A 28 2.253 7.096 -4.512 1.00 0.00 C ATOM 423 O ILE A 28 1.202 6.656 -4.048 1.00 0.00 O ATOM 424 CB ILE A 28 3.251 5.827 -6.419 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.326 5.750 -7.945 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.519 4.598 -5.875 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.225 4.583 -8.353 1.00 0.00 C ATOM 0 H ILE A 28 4.194 8.040 -6.789 1.00 0.00 H new ATOM 0 HA ILE A 28 1.534 7.125 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 28 4.259 5.853 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.328 5.617 -8.363 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.719 6.684 -8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.058 3.696 -6.164 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.467 4.657 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.510 4.565 -6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.279 4.528 -9.440 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.225 4.735 -7.948 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.813 3.653 -7.962 1.00 0.00 H new ATOM 439 N VAL A 29 3.225 7.596 -3.754 1.00 0.00 N ATOM 440 CA VAL A 29 3.080 7.643 -2.306 1.00 0.00 C ATOM 441 C VAL A 29 1.819 8.409 -1.939 1.00 0.00 C ATOM 442 O VAL A 29 1.036 7.967 -1.099 1.00 0.00 O ATOM 443 CB VAL A 29 4.300 8.306 -1.664 1.00 0.00 C ATOM 444 CG1 VAL A 29 4.004 8.599 -0.193 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.499 7.359 -1.755 1.00 0.00 C ATOM 0 H VAL A 29 4.105 7.967 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 29 3.004 6.623 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 29 4.525 9.236 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.873 9.071 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.146 9.268 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.782 7.667 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.370 7.829 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.271 6.431 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.712 7.141 -2.802 1.00 0.00 H new ATOM 455 N GLN A 30 1.610 9.549 -2.591 1.00 0.00 N ATOM 456 CA GLN A 30 0.417 10.340 -2.330 1.00 0.00 C ATOM 457 C GLN A 30 -0.814 9.511 -2.653 1.00 0.00 C ATOM 458 O GLN A 30 -1.778 9.484 -1.888 1.00 0.00 O ATOM 459 CB GLN A 30 0.407 11.606 -3.188 1.00 0.00 C ATOM 460 CG GLN A 30 1.565 12.515 -2.785 1.00 0.00 C ATOM 461 CD GLN A 30 1.470 12.862 -1.303 1.00 0.00 C ATOM 462 OE1 GLN A 30 0.391 13.187 -0.808 1.00 0.00 O ATOM 463 NE2 GLN A 30 2.545 12.816 -0.564 1.00 0.00 N ATOM 0 H GLN A 30 2.240 9.939 -3.292 1.00 0.00 H new ATOM 0 HA GLN A 30 0.414 10.629 -1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.490 11.342 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.540 12.132 -3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.514 12.020 -2.990 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.546 13.427 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.437 12.546 -0.978 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.493 13.050 0.427 1.00 0.00 H new ATOM 472 N ARG A 31 -0.766 8.818 -3.788 1.00 0.00 N ATOM 473 CA ARG A 31 -1.883 7.977 -4.188 1.00 0.00 C ATOM 474 C ARG A 31 -2.089 6.874 -3.162 1.00 0.00 C ATOM 475 O ARG A 31 -3.221 6.536 -2.821 1.00 0.00 O ATOM 476 CB ARG A 31 -1.627 7.373 -5.570 1.00 0.00 C ATOM 477 CG ARG A 31 -1.595 8.497 -6.604 1.00 0.00 C ATOM 478 CD ARG A 31 -1.557 7.905 -8.011 1.00 0.00 C ATOM 479 NE ARG A 31 -1.413 8.971 -8.997 1.00 0.00 N ATOM 480 CZ ARG A 31 -0.718 8.787 -10.114 1.00 0.00 C ATOM 481 NH1 ARG A 31 -1.289 8.244 -11.156 1.00 0.00 N ATOM 482 NH2 ARG A 31 0.534 9.152 -10.170 1.00 0.00 N ATOM 0 H ARG A 31 0.022 8.823 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.784 8.588 -4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.682 6.830 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.409 6.655 -5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.473 9.133 -6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.721 9.128 -6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.727 7.204 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.471 7.342 -8.202 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.854 9.874 -8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.268 7.962 -11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.756 8.103 -12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.978 9.578 -9.356 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.068 9.011 -11.027 1.00 0.00 H new ATOM 496 N VAL A 32 -0.989 6.330 -2.651 1.00 0.00 N ATOM 497 CA VAL A 32 -1.083 5.285 -1.643 1.00 0.00 C ATOM 498 C VAL A 32 -1.728 5.848 -0.382 1.00 0.00 C ATOM 499 O VAL A 32 -2.711 5.306 0.122 1.00 0.00 O ATOM 500 CB VAL A 32 0.311 4.740 -1.314 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.232 3.838 -0.080 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.830 3.926 -2.501 1.00 0.00 C ATOM 0 H VAL A 32 -0.039 6.591 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.696 4.471 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 32 0.987 5.572 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.224 3.451 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.141 4.413 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.444 3.006 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.822 3.537 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.151 3.096 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.887 4.564 -3.383 1.00 0.00 H new ATOM 512 N LYS A 33 -1.176 6.953 0.111 1.00 0.00 N ATOM 513 CA LYS A 33 -1.709 7.599 1.300 1.00 0.00 C ATOM 514 C LYS A 33 -3.142 8.066 1.071 1.00 0.00 C ATOM 515 O LYS A 33 -3.999 7.933 1.944 1.00 0.00 O ATOM 516 CB LYS A 33 -0.844 8.800 1.663 1.00 0.00 C ATOM 517 CG LYS A 33 0.531 8.324 2.132 1.00 0.00 C ATOM 518 CD LYS A 33 1.318 9.520 2.659 1.00 0.00 C ATOM 519 CE LYS A 33 2.731 9.080 3.040 1.00 0.00 C ATOM 520 NZ LYS A 33 2.767 8.723 4.487 1.00 0.00 N ATOM 0 H LYS A 33 -0.363 7.416 -0.295 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.702 6.874 2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.737 9.457 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.325 9.382 2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.423 7.571 2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.068 7.854 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.362 10.301 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.813 9.946 3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.032 8.224 2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.441 9.881 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.728 8.423 4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.497 9.551 5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.101 7.945 4.669 1.00 0.00 H new ATOM 534 N ASN A 34 -3.386 8.627 -0.108 1.00 0.00 N ATOM 535 CA ASN A 34 -4.708 9.133 -0.451 1.00 0.00 C ATOM 536 C ASN A 34 -5.754 8.017 -0.443 1.00 0.00 C ATOM 537 O ASN A 34 -6.854 8.192 0.081 1.00 0.00 O ATOM 538 CB ASN A 34 -4.654 9.781 -1.835 1.00 0.00 C ATOM 539 CG ASN A 34 -3.718 10.990 -1.811 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.724 11.762 -0.852 1.00 0.00 O ATOM 541 ND2 ASN A 34 -2.906 11.198 -2.815 1.00 0.00 N ATOM 0 H ASN A 34 -2.686 8.742 -0.841 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.000 9.869 0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.306 9.056 -2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.654 10.091 -2.140 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.277 12.001 -2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.902 10.558 -3.609 1.00 0.00 H new ATOM 548 N ILE A 35 -5.408 6.875 -1.027 1.00 0.00 N ATOM 549 CA ILE A 35 -6.333 5.743 -1.082 1.00 0.00 C ATOM 550 C ILE A 35 -6.555 5.131 0.299 1.00 0.00 C ATOM 551 O ILE A 35 -7.694 4.892 0.699 1.00 0.00 O ATOM 552 CB ILE A 35 -5.798 4.674 -2.028 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.758 5.235 -3.452 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.717 3.450 -1.985 1.00 0.00 C ATOM 555 CD1 ILE A 35 -4.966 4.289 -4.355 1.00 0.00 C ATOM 0 H ILE A 35 -4.503 6.707 -1.466 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.289 6.117 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.793 4.383 -1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.772 5.355 -3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.298 6.223 -3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.336 2.685 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.749 3.054 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.722 3.738 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.939 4.691 -5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.949 4.191 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.445 3.310 -4.365 1.00 0.00 H new ATOM 567 N LEU A 36 -5.470 4.875 1.027 1.00 0.00 N ATOM 568 CA LEU A 36 -5.596 4.291 2.357 1.00 0.00 C ATOM 569 C LEU A 36 -6.464 5.187 3.226 1.00 0.00 C ATOM 570 O LEU A 36 -7.323 4.711 3.968 1.00 0.00 O ATOM 571 CB LEU A 36 -4.217 4.122 3.000 1.00 0.00 C ATOM 572 CG LEU A 36 -3.396 3.112 2.195 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.029 2.926 2.856 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.130 1.771 2.166 1.00 0.00 C ATOM 0 H LEU A 36 -4.513 5.059 0.725 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.061 3.309 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.700 5.081 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.324 3.781 4.030 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.263 3.479 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.443 2.207 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.505 3.881 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.164 2.557 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.547 1.050 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.260 1.405 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.107 1.901 1.700 1.00 0.00 H new ATOM 586 N ALA A 37 -6.249 6.489 3.104 1.00 0.00 N ATOM 587 CA ALA A 37 -7.033 7.455 3.856 1.00 0.00 C ATOM 588 C ALA A 37 -8.463 7.465 3.333 1.00 0.00 C ATOM 589 O ALA A 37 -9.344 8.105 3.908 1.00 0.00 O ATOM 590 CB ALA A 37 -6.422 8.851 3.721 1.00 0.00 C ATOM 0 H ALA A 37 -5.541 6.898 2.494 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.033 7.173 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.018 9.566 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.403 8.841 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.409 9.143 2.671 1.00 0.00 H new ATOM 596 N ALA A 38 -8.679 6.756 2.227 1.00 0.00 N ATOM 597 CA ALA A 38 -9.996 6.687 1.617 1.00 0.00 C ATOM 598 C ALA A 38 -10.819 5.573 2.246 1.00 0.00 C ATOM 599 O ALA A 38 -11.820 5.135 1.680 1.00 0.00 O ATOM 600 CB ALA A 38 -9.865 6.442 0.112 1.00 0.00 C ATOM 0 H ALA A 38 -7.958 6.224 1.739 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.503 7.637 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.857 6.392 -0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.303 7.258 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.342 5.501 -0.059 1.00 0.00 H new ATOM 606 N VAL A 39 -10.391 5.108 3.416 1.00 0.00 N ATOM 607 CA VAL A 39 -11.109 4.035 4.088 1.00 0.00 C ATOM 608 C VAL A 39 -10.982 4.126 5.609 1.00 0.00 C ATOM 609 O VAL A 39 -11.861 3.665 6.337 1.00 0.00 O ATOM 610 CB VAL A 39 -10.584 2.680 3.614 1.00 0.00 C ATOM 611 CG1 VAL A 39 -9.302 2.335 4.372 1.00 0.00 C ATOM 612 CG2 VAL A 39 -11.639 1.604 3.880 1.00 0.00 C ATOM 0 H VAL A 39 -9.566 5.451 3.909 1.00 0.00 H new ATOM 0 HA VAL A 39 -12.164 4.138 3.832 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.372 2.726 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.928 1.369 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.550 3.101 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.512 2.289 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.266 0.637 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.851 1.558 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.553 1.849 3.339 1.00 0.00 H new ATOM 622 N GLU A 40 -9.892 4.714 6.092 1.00 0.00 N ATOM 623 CA GLU A 40 -9.690 4.840 7.531 1.00 0.00 C ATOM 624 C GLU A 40 -10.127 3.564 8.244 1.00 0.00 C ATOM 625 O GLU A 40 -9.491 2.517 8.115 1.00 0.00 O ATOM 626 CB GLU A 40 -10.497 6.021 8.075 1.00 0.00 C ATOM 627 CG GLU A 40 -10.014 7.323 7.431 1.00 0.00 C ATOM 628 CD GLU A 40 -10.736 8.511 8.060 1.00 0.00 C ATOM 629 OE1 GLU A 40 -11.699 8.283 8.774 1.00 0.00 O ATOM 630 OE2 GLU A 40 -10.315 9.630 7.819 1.00 0.00 O ATOM 0 H GLU A 40 -9.145 5.105 5.518 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.629 5.008 7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.557 5.874 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.388 6.079 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.937 7.428 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.201 7.299 6.357 1.00 0.00 H new ATOM 637 N ALA A 41 -11.218 3.661 8.998 1.00 0.00 N ATOM 638 CA ALA A 41 -11.738 2.512 9.731 1.00 0.00 C ATOM 639 C ALA A 41 -11.096 2.420 11.111 1.00 0.00 C ATOM 640 O ALA A 41 -10.216 3.211 11.451 1.00 0.00 O ATOM 641 CB ALA A 41 -11.461 1.225 8.952 1.00 0.00 C ATOM 0 H ALA A 41 -11.757 4.519 9.117 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.814 2.640 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.853 0.372 9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.947 1.278 7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.386 1.106 8.816 1.00 0.00 H new ATOM 647 N THR A 42 -11.544 1.451 11.902 1.00 0.00 N ATOM 648 CA THR A 42 -11.007 1.266 13.245 1.00 0.00 C ATOM 649 C THR A 42 -9.620 0.632 13.192 1.00 0.00 C ATOM 650 O THR A 42 -8.965 0.471 14.222 1.00 0.00 O ATOM 651 CB THR A 42 -11.948 0.385 14.071 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.143 -0.857 13.408 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.293 1.093 14.245 1.00 0.00 C ATOM 0 H THR A 42 -12.272 0.786 11.639 1.00 0.00 H new ATOM 0 HA THR A 42 -10.923 2.245 13.717 1.00 0.00 H new ATOM 0 HB THR A 42 -11.507 0.204 15.051 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.744 -1.420 13.939 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.962 0.464 14.833 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.141 2.042 14.759 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.736 1.278 13.266 1.00 0.00 H new ATOM 661 N VAL A 43 -9.178 0.272 11.990 1.00 0.00 N ATOM 662 CA VAL A 43 -7.871 -0.342 11.825 1.00 0.00 C ATOM 663 C VAL A 43 -6.986 0.511 10.923 1.00 0.00 C ATOM 664 O VAL A 43 -6.701 0.137 9.785 1.00 0.00 O ATOM 665 CB VAL A 43 -8.039 -1.723 11.202 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.489 -2.716 12.273 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.087 -1.654 10.091 1.00 0.00 C ATOM 0 H VAL A 43 -9.703 0.395 11.124 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.398 -0.426 12.803 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.088 -2.053 10.783 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.609 -3.703 11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.739 -2.764 13.063 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.440 -2.390 12.694 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.209 -2.641 9.644 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.039 -1.325 10.508 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.762 -0.947 9.327 1.00 0.00 H new ATOM 677 N PRO A 44 -6.543 1.642 11.407 1.00 0.00 N ATOM 678 CA PRO A 44 -5.669 2.552 10.619 1.00 0.00 C ATOM 679 C PRO A 44 -4.429 1.831 10.102 1.00 0.00 C ATOM 680 O PRO A 44 -3.923 0.909 10.743 1.00 0.00 O ATOM 681 CB PRO A 44 -5.276 3.673 11.591 1.00 0.00 C ATOM 682 CG PRO A 44 -5.923 3.378 12.910 1.00 0.00 C ATOM 683 CD PRO A 44 -6.838 2.165 12.745 1.00 0.00 C ATOM 0 HA PRO A 44 -6.185 2.931 9.737 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.193 3.724 11.699 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.604 4.641 11.212 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.165 3.179 13.667 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.496 4.240 13.251 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.642 1.416 13.513 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.887 2.447 12.835 1.00 0.00 H new ATOM 691 N ILE A 45 -3.942 2.253 8.939 1.00 0.00 N ATOM 692 CA ILE A 45 -2.760 1.634 8.351 1.00 0.00 C ATOM 693 C ILE A 45 -1.540 2.527 8.528 1.00 0.00 C ATOM 694 O ILE A 45 -1.627 3.747 8.387 1.00 0.00 O ATOM 695 CB ILE A 45 -2.968 1.390 6.857 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.262 0.604 6.641 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.781 0.591 6.305 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.384 1.567 6.244 1.00 0.00 C ATOM 0 H ILE A 45 -4.343 3.013 8.390 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.598 0.685 8.862 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.038 2.345 6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.119 -0.145 5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.532 0.070 7.552 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.925 0.415 5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.860 1.154 6.458 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.712 -0.365 6.825 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.306 1.007 6.090 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.532 2.300 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.113 2.081 5.322 1.00 0.00 H new ATOM 710 N SER A 46 -0.401 1.912 8.814 1.00 0.00 N ATOM 711 CA SER A 46 0.831 2.664 8.979 1.00 0.00 C ATOM 712 C SER A 46 1.682 2.514 7.724 1.00 0.00 C ATOM 713 O SER A 46 2.030 1.401 7.332 1.00 0.00 O ATOM 714 CB SER A 46 1.603 2.151 10.194 1.00 0.00 C ATOM 715 OG SER A 46 2.783 2.926 10.366 1.00 0.00 O ATOM 0 H SER A 46 -0.306 0.904 8.935 1.00 0.00 H new ATOM 0 HA SER A 46 0.593 3.716 9.136 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.981 2.213 11.087 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.861 1.101 10.058 1.00 0.00 H new ATOM 0 HG SER A 46 3.278 2.599 11.146 1.00 0.00 H new ATOM 721 N LEU A 47 2.000 3.635 7.089 1.00 0.00 N ATOM 722 CA LEU A 47 2.795 3.598 5.869 1.00 0.00 C ATOM 723 C LEU A 47 4.251 3.930 6.165 1.00 0.00 C ATOM 724 O LEU A 47 4.557 4.959 6.767 1.00 0.00 O ATOM 725 CB LEU A 47 2.238 4.599 4.855 1.00 0.00 C ATOM 726 CG LEU A 47 2.428 4.059 3.434 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.129 5.168 2.424 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.869 3.575 3.244 1.00 0.00 C ATOM 0 H LEU A 47 1.724 4.569 7.393 1.00 0.00 H new ATOM 0 HA LEU A 47 2.743 2.591 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.180 4.776 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.746 5.558 4.960 1.00 0.00 H new ATOM 0 HG LEU A 47 1.746 3.223 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.264 4.785 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.101 5.507 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.809 6.004 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.994 3.193 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.556 4.406 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.084 2.782 3.960 1.00 0.00 H new ATOM 740 N GLN A 48 5.145 3.051 5.730 1.00 0.00 N ATOM 741 CA GLN A 48 6.570 3.253 5.939 1.00 0.00 C ATOM 742 C GLN A 48 7.317 3.120 4.616 1.00 0.00 C ATOM 743 O GLN A 48 7.222 2.099 3.939 1.00 0.00 O ATOM 744 CB GLN A 48 7.096 2.219 6.936 1.00 0.00 C ATOM 745 CG GLN A 48 7.150 2.828 8.337 1.00 0.00 C ATOM 746 CD GLN A 48 7.821 1.851 9.296 1.00 0.00 C ATOM 747 OE1 GLN A 48 7.252 0.809 9.621 1.00 0.00 O ATOM 748 NE2 GLN A 48 9.008 2.124 9.770 1.00 0.00 N ATOM 0 H GLN A 48 4.908 2.193 5.231 1.00 0.00 H new ATOM 0 HA GLN A 48 6.732 4.254 6.338 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.451 1.340 6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.089 1.885 6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.702 3.768 8.315 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.142 3.058 8.683 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.479 2.988 9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.464 1.473 10.410 1.00 0.00 H new ATOM 757 N VAL A 49 8.061 4.154 4.251 1.00 0.00 N ATOM 758 CA VAL A 49 8.816 4.126 3.005 1.00 0.00 C ATOM 759 C VAL A 49 10.262 3.761 3.271 1.00 0.00 C ATOM 760 O VAL A 49 10.889 4.288 4.189 1.00 0.00 O ATOM 761 CB VAL A 49 8.779 5.486 2.309 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.349 5.346 0.894 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.334 5.987 2.236 1.00 0.00 C ATOM 0 H VAL A 49 8.158 5.013 4.792 1.00 0.00 H new ATOM 0 HA VAL A 49 8.354 3.378 2.361 1.00 0.00 H new ATOM 0 HB VAL A 49 9.378 6.201 2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.324 6.314 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.379 4.993 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.750 4.631 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.310 6.957 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.730 5.276 1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.932 6.086 3.244 1.00 0.00 H new ATOM 773 N ILE A 50 10.792 2.867 2.454 1.00 0.00 N ATOM 774 CA ILE A 50 12.171 2.458 2.604 1.00 0.00 C ATOM 775 C ILE A 50 12.937 2.835 1.350 1.00 0.00 C ATOM 776 O ILE A 50 12.542 2.477 0.240 1.00 0.00 O ATOM 777 CB ILE A 50 12.243 0.950 2.831 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.238 0.563 3.918 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.654 0.573 3.285 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.371 -0.927 4.237 1.00 0.00 C ATOM 0 H ILE A 50 10.291 2.416 1.688 1.00 0.00 H new ATOM 0 HA ILE A 50 12.613 2.960 3.464 1.00 0.00 H new ATOM 0 HB ILE A 50 12.007 0.424 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.414 1.154 4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.224 0.784 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.708 -0.503 3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.372 0.861 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.888 1.093 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.654 -1.199 5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.173 -1.511 3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.381 -1.135 4.589 1.00 0.00 H new ATOM 792 N ASN A 51 14.024 3.568 1.523 1.00 0.00 N ATOM 793 CA ASN A 51 14.815 3.988 0.386 1.00 0.00 C ATOM 794 C ASN A 51 15.745 2.862 -0.046 1.00 0.00 C ATOM 795 O ASN A 51 16.775 2.619 0.582 1.00 0.00 O ATOM 796 CB ASN A 51 15.640 5.219 0.753 1.00 0.00 C ATOM 797 CG ASN A 51 14.729 6.422 0.959 1.00 0.00 C ATOM 798 OD1 ASN A 51 13.553 6.382 0.597 1.00 0.00 O ATOM 799 ND2 ASN A 51 15.207 7.499 1.519 1.00 0.00 N ATOM 0 H ASN A 51 14.373 3.880 2.429 1.00 0.00 H new ATOM 0 HA ASN A 51 14.145 4.235 -0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.210 5.026 1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.361 5.431 -0.037 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.606 8.311 1.658 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.182 7.529 1.818 1.00 0.00 H new ATOM 806 N VAL A 52 15.372 2.174 -1.117 1.00 0.00 N ATOM 807 CA VAL A 52 16.179 1.069 -1.619 1.00 0.00 C ATOM 808 C VAL A 52 17.581 1.548 -1.967 1.00 0.00 C ATOM 809 O VAL A 52 18.495 0.745 -2.155 1.00 0.00 O ATOM 810 CB VAL A 52 15.523 0.463 -2.859 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.053 0.161 -2.564 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.621 1.455 -4.020 1.00 0.00 C ATOM 0 H VAL A 52 14.523 2.359 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 52 16.248 0.311 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 52 16.034 -0.462 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.586 -0.271 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.986 -0.545 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.539 1.084 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.154 1.025 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.110 2.380 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.669 1.667 -4.230 1.00 0.00 H new ATOM 822 N ALA A 53 17.745 2.862 -2.052 1.00 0.00 N ATOM 823 CA ALA A 53 19.035 3.439 -2.377 1.00 0.00 C ATOM 824 C ALA A 53 19.995 3.270 -1.211 1.00 0.00 C ATOM 825 O ALA A 53 21.200 3.107 -1.401 1.00 0.00 O ATOM 826 CB ALA A 53 18.872 4.928 -2.696 1.00 0.00 C ATOM 0 H ALA A 53 17.001 3.543 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 53 19.440 2.924 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.844 5.356 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.200 5.047 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.456 5.442 -1.830 1.00 0.00 H new ATOM 832 N ASP A 54 19.454 3.330 0.000 1.00 0.00 N ATOM 833 CA ASP A 54 20.278 3.200 1.190 1.00 0.00 C ATOM 834 C ASP A 54 20.234 1.790 1.774 1.00 0.00 C ATOM 835 O ASP A 54 21.194 1.350 2.407 1.00 0.00 O ATOM 836 CB ASP A 54 19.819 4.203 2.248 1.00 0.00 C ATOM 837 CG ASP A 54 20.087 5.625 1.769 1.00 0.00 C ATOM 838 OD1 ASP A 54 20.784 5.773 0.778 1.00 0.00 O ATOM 839 OD2 ASP A 54 19.593 6.545 2.399 1.00 0.00 O ATOM 0 H ASP A 54 18.459 3.466 0.181 1.00 0.00 H new ATOM 0 HA ASP A 54 21.308 3.404 0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.756 4.072 2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 54 20.344 4.021 3.186 1.00 0.00 H new ATOM 844 N GLN A 55 19.120 1.088 1.586 1.00 0.00 N ATOM 845 CA GLN A 55 19.000 -0.259 2.140 1.00 0.00 C ATOM 846 C GLN A 55 18.407 -1.248 1.137 1.00 0.00 C ATOM 847 O GLN A 55 17.240 -1.619 1.232 1.00 0.00 O ATOM 848 CB GLN A 55 18.133 -0.221 3.400 1.00 0.00 C ATOM 849 CG GLN A 55 16.716 0.232 3.041 1.00 0.00 C ATOM 850 CD GLN A 55 16.340 1.465 3.858 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.441 1.452 5.085 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.905 2.533 3.248 1.00 0.00 N ATOM 0 H GLN A 55 18.306 1.418 1.068 1.00 0.00 H new ATOM 0 HA GLN A 55 20.005 -0.604 2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.103 -1.208 3.862 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.568 0.460 4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.657 0.459 1.977 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.008 -0.573 3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.822 2.542 2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.648 3.359 3.788 1.00 0.00 H new ATOM 861 N PRO A 56 19.202 -1.687 0.199 1.00 0.00 N ATOM 862 CA PRO A 56 18.795 -2.675 -0.842 1.00 0.00 C ATOM 863 C PRO A 56 18.824 -4.118 -0.323 1.00 0.00 C ATOM 864 O PRO A 56 18.439 -5.054 -1.031 1.00 0.00 O ATOM 865 CB PRO A 56 19.845 -2.501 -1.950 1.00 0.00 C ATOM 866 CG PRO A 56 20.790 -1.431 -1.489 1.00 0.00 C ATOM 867 CD PRO A 56 20.591 -1.279 0.016 1.00 0.00 C ATOM 0 HA PRO A 56 17.771 -2.501 -1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.377 -3.436 -2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.371 -2.219 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.821 -1.703 -1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.588 -0.491 -2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.276 -1.911 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.758 -0.253 0.345 1.00 0.00 H new ATOM 875 N GLN A 57 19.318 -4.294 0.899 1.00 0.00 N ATOM 876 CA GLN A 57 19.445 -5.630 1.485 1.00 0.00 C ATOM 877 C GLN A 57 18.086 -6.284 1.727 1.00 0.00 C ATOM 878 O GLN A 57 17.893 -7.451 1.389 1.00 0.00 O ATOM 879 CB GLN A 57 20.200 -5.538 2.815 1.00 0.00 C ATOM 880 CG GLN A 57 20.512 -6.948 3.324 1.00 0.00 C ATOM 881 CD GLN A 57 21.090 -6.879 4.735 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.373 -7.912 5.341 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.277 -5.718 5.299 1.00 0.00 N ATOM 0 H GLN A 57 19.636 -3.535 1.502 1.00 0.00 H new ATOM 0 HA GLN A 57 19.994 -6.248 0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.124 -4.975 2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.601 -4.999 3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.605 -7.553 3.323 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.221 -7.436 2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.042 -4.863 4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.658 -5.665 6.244 1.00 0.00 H new ATOM 892 N LEU A 58 17.142 -5.543 2.295 1.00 0.00 N ATOM 893 CA LEU A 58 15.822 -6.108 2.540 1.00 0.00 C ATOM 894 C LEU A 58 15.059 -6.251 1.224 1.00 0.00 C ATOM 895 O LEU A 58 14.133 -7.055 1.118 1.00 0.00 O ATOM 896 CB LEU A 58 15.023 -5.265 3.543 1.00 0.00 C ATOM 897 CG LEU A 58 15.449 -3.803 3.472 1.00 0.00 C ATOM 898 CD1 LEU A 58 15.362 -3.323 2.029 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.519 -2.962 4.348 1.00 0.00 C ATOM 0 H LEU A 58 17.261 -4.573 2.588 1.00 0.00 H new ATOM 0 HA LEU A 58 15.955 -7.096 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.957 -5.350 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.178 -5.646 4.552 1.00 0.00 H new ATOM 0 HG LEU A 58 16.474 -3.701 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.666 -2.278 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.021 -3.926 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.336 -3.422 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.821 -1.916 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.494 -3.061 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.578 -3.309 5.380 1.00 0.00 H new ATOM 911 N VAL A 59 15.464 -5.475 0.218 1.00 0.00 N ATOM 912 CA VAL A 59 14.820 -5.539 -1.089 1.00 0.00 C ATOM 913 C VAL A 59 15.006 -6.934 -1.677 1.00 0.00 C ATOM 914 O VAL A 59 14.050 -7.553 -2.144 1.00 0.00 O ATOM 915 CB VAL A 59 15.434 -4.492 -2.018 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.749 -4.550 -3.376 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.237 -3.100 -1.417 1.00 0.00 C ATOM 0 H VAL A 59 16.228 -4.802 0.284 1.00 0.00 H new ATOM 0 HA VAL A 59 13.755 -5.334 -0.982 1.00 0.00 H new ATOM 0 HB VAL A 59 16.498 -4.695 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.188 -3.803 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.883 -5.541 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.685 -4.347 -3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.675 -2.353 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.172 -2.902 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.724 -3.052 -0.443 1.00 0.00 H new ATOM 927 N GLU A 60 16.239 -7.440 -1.622 1.00 0.00 N ATOM 928 CA GLU A 60 16.516 -8.784 -2.122 1.00 0.00 C ATOM 929 C GLU A 60 15.867 -9.810 -1.200 1.00 0.00 C ATOM 930 O GLU A 60 15.406 -10.862 -1.643 1.00 0.00 O ATOM 931 CB GLU A 60 18.025 -9.035 -2.189 1.00 0.00 C ATOM 932 CG GLU A 60 18.648 -8.136 -3.258 1.00 0.00 C ATOM 933 CD GLU A 60 20.135 -8.447 -3.394 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.646 -9.172 -2.557 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.739 -7.958 -4.334 1.00 0.00 O ATOM 0 H GLU A 60 17.048 -6.948 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 60 16.104 -8.877 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.481 -8.834 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.220 -10.082 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.146 -8.290 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.509 -7.088 -2.991 1.00 0.00 H new ATOM 942 N TYR A 61 15.828 -9.479 0.088 1.00 0.00 N ATOM 943 CA TYR A 61 15.224 -10.356 1.081 1.00 0.00 C ATOM 944 C TYR A 61 13.786 -10.664 0.685 1.00 0.00 C ATOM 945 O TYR A 61 13.324 -11.800 0.793 1.00 0.00 O ATOM 946 CB TYR A 61 15.253 -9.671 2.450 1.00 0.00 C ATOM 947 CG TYR A 61 14.673 -10.586 3.498 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.438 -11.639 4.011 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.370 -10.374 3.962 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.899 -12.483 4.988 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.830 -11.219 4.940 1.00 0.00 C ATOM 952 CZ TYR A 61 13.595 -12.273 5.452 1.00 0.00 C ATOM 953 OH TYR A 61 13.064 -13.105 6.417 1.00 0.00 O ATOM 0 H TYR A 61 16.207 -8.611 0.466 1.00 0.00 H new ATOM 0 HA TYR A 61 15.786 -11.289 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.278 -9.408 2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.685 -8.741 2.413 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.444 -11.800 3.653 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.781 -9.560 3.566 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.489 -13.296 5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.824 -11.057 5.299 1.00 0.00 H new ATOM 0 HH TYR A 61 12.150 -12.820 6.628 1.00 0.00 H new ATOM 963 N TYR A 62 13.093 -9.636 0.213 1.00 0.00 N ATOM 964 CA TYR A 62 11.716 -9.777 -0.222 1.00 0.00 C ATOM 965 C TYR A 62 11.675 -10.202 -1.684 1.00 0.00 C ATOM 966 O TYR A 62 10.641 -10.093 -2.343 1.00 0.00 O ATOM 967 CB TYR A 62 10.999 -8.438 -0.072 1.00 0.00 C ATOM 968 CG TYR A 62 10.861 -8.083 1.388 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.111 -8.900 2.241 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.480 -6.931 1.884 1.00 0.00 C ATOM 971 CE1 TYR A 62 9.981 -8.564 3.593 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.349 -6.594 3.235 1.00 0.00 C ATOM 973 CZ TYR A 62 10.599 -7.410 4.091 1.00 0.00 C ATOM 974 OH TYR A 62 10.468 -7.078 5.423 1.00 0.00 O ATOM 0 H TYR A 62 13.468 -8.692 0.123 1.00 0.00 H new ATOM 0 HA TYR A 62 11.224 -10.534 0.389 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.556 -7.659 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.014 -8.490 -0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.633 -9.789 1.856 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.059 -6.302 1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.404 -9.195 4.253 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.826 -5.704 3.618 1.00 0.00 H new ATOM 0 HH TYR A 62 10.959 -6.249 5.603 1.00 0.00 H new ATOM 984 N ARG A 63 12.815 -10.658 -2.196 1.00 0.00 N ATOM 985 CA ARG A 63 12.899 -11.060 -3.589 1.00 0.00 C ATOM 986 C ARG A 63 12.504 -9.878 -4.462 1.00 0.00 C ATOM 987 O ARG A 63 12.408 -9.983 -5.685 1.00 0.00 O ATOM 988 CB ARG A 63 11.966 -12.242 -3.852 1.00 0.00 C ATOM 989 CG ARG A 63 12.279 -13.382 -2.876 1.00 0.00 C ATOM 990 CD ARG A 63 13.676 -13.938 -3.158 1.00 0.00 C ATOM 991 NE ARG A 63 13.834 -14.204 -4.582 1.00 0.00 N ATOM 992 CZ ARG A 63 14.161 -15.413 -5.024 1.00 0.00 C ATOM 993 NH1 ARG A 63 13.338 -16.413 -4.858 1.00 0.00 N ATOM 994 NH2 ARG A 63 15.305 -15.601 -5.623 1.00 0.00 N ATOM 0 H ARG A 63 13.683 -10.756 -1.670 1.00 0.00 H new ATOM 0 HA ARG A 63 13.918 -11.368 -3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.928 -11.929 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.084 -12.588 -4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.222 -13.020 -1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.536 -14.173 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.432 -13.226 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 63 13.832 -14.855 -2.590 1.00 0.00 H new ATOM 0 HE ARG A 63 13.691 -13.448 -5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.444 -16.266 -4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.589 -17.342 -5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.948 -14.820 -5.752 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.556 -16.529 -5.963 1.00 0.00 H new ATOM 1008 N LEU A 64 12.284 -8.749 -3.799 1.00 0.00 N ATOM 1009 CA LEU A 64 11.901 -7.514 -4.469 1.00 0.00 C ATOM 1010 C LEU A 64 13.011 -7.085 -5.426 1.00 0.00 C ATOM 1011 O LEU A 64 14.191 -7.161 -5.089 1.00 0.00 O ATOM 1012 CB LEU A 64 11.674 -6.437 -3.400 1.00 0.00 C ATOM 1013 CG LEU A 64 10.796 -5.302 -3.928 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.518 -4.554 -5.043 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.483 -5.876 -4.457 1.00 0.00 C ATOM 0 H LEU A 64 12.366 -8.665 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 64 10.987 -7.660 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.204 -6.885 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.634 -6.036 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 64 10.587 -4.606 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.883 -3.748 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.448 -4.136 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.740 -5.242 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.857 -5.067 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.692 -6.578 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.961 -6.393 -3.652 1.00 0.00 H new ATOM 1027 N VAL A 65 12.637 -6.651 -6.624 1.00 0.00 N ATOM 1028 CA VAL A 65 13.637 -6.233 -7.603 1.00 0.00 C ATOM 1029 C VAL A 65 13.142 -5.084 -8.480 1.00 0.00 C ATOM 1030 O VAL A 65 13.931 -4.459 -9.187 1.00 0.00 O ATOM 1031 CB VAL A 65 14.024 -7.418 -8.487 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.509 -7.325 -8.839 1.00 0.00 C ATOM 1033 CG2 VAL A 65 13.759 -8.722 -7.731 1.00 0.00 C ATOM 0 H VAL A 65 11.669 -6.579 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 65 14.505 -5.877 -7.049 1.00 0.00 H new ATOM 0 HB VAL A 65 13.432 -7.401 -9.402 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.787 -8.169 -9.470 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.698 -6.395 -9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.102 -7.345 -7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.034 -9.569 -8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.353 -8.740 -6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.701 -8.787 -7.477 1.00 0.00 H new ATOM 1043 N VAL A 66 11.843 -4.805 -8.442 1.00 0.00 N ATOM 1044 CA VAL A 66 11.290 -3.734 -9.249 1.00 0.00 C ATOM 1045 C VAL A 66 10.825 -2.575 -8.377 1.00 0.00 C ATOM 1046 O VAL A 66 10.268 -2.779 -7.298 1.00 0.00 O ATOM 1047 CB VAL A 66 10.104 -4.254 -10.052 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.593 -5.205 -11.146 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.148 -4.998 -9.120 1.00 0.00 C ATOM 0 H VAL A 66 11.163 -5.302 -7.866 1.00 0.00 H new ATOM 0 HA VAL A 66 12.073 -3.379 -9.920 1.00 0.00 H new ATOM 0 HB VAL A 66 9.586 -3.413 -10.514 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.740 -5.573 -11.716 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.273 -4.674 -11.812 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.115 -6.046 -10.690 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.299 -5.371 -9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.670 -5.836 -8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.793 -4.319 -8.345 1.00 0.00 H new ATOM 1059 N THR A 67 11.040 -1.362 -8.866 1.00 0.00 N ATOM 1060 CA THR A 67 10.621 -0.172 -8.143 1.00 0.00 C ATOM 1061 C THR A 67 9.948 0.798 -9.112 1.00 0.00 C ATOM 1062 O THR A 67 10.301 0.847 -10.291 1.00 0.00 O ATOM 1063 CB THR A 67 11.823 0.502 -7.476 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.892 0.594 -8.409 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.268 -0.323 -6.266 1.00 0.00 C ATOM 0 H THR A 67 11.500 -1.177 -9.757 1.00 0.00 H new ATOM 0 HA THR A 67 9.914 -0.459 -7.365 1.00 0.00 H new ATOM 0 HB THR A 67 11.541 1.502 -7.146 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.661 1.027 -7.983 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.124 0.158 -5.792 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.448 -0.391 -5.551 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.549 -1.324 -6.592 1.00 0.00 H new ATOM 1073 N PRO A 68 8.986 1.557 -8.656 1.00 0.00 N ATOM 1074 CA PRO A 68 8.523 1.536 -7.241 1.00 0.00 C ATOM 1075 C PRO A 68 7.716 0.281 -6.925 1.00 0.00 C ATOM 1076 O PRO A 68 7.181 -0.367 -7.825 1.00 0.00 O ATOM 1077 CB PRO A 68 7.640 2.782 -7.102 1.00 0.00 C ATOM 1078 CG PRO A 68 7.619 3.464 -8.437 1.00 0.00 C ATOM 1079 CD PRO A 68 8.234 2.517 -9.460 1.00 0.00 C ATOM 0 HA PRO A 68 9.365 1.532 -6.549 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.631 2.506 -6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.035 3.449 -6.336 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.597 3.718 -8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.180 4.398 -8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.467 2.022 -10.056 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.884 3.049 -10.155 1.00 0.00 H new ATOM 1087 N ALA A 69 7.637 -0.059 -5.645 1.00 0.00 N ATOM 1088 CA ALA A 69 6.899 -1.241 -5.227 1.00 0.00 C ATOM 1089 C ALA A 69 6.323 -1.046 -3.827 1.00 0.00 C ATOM 1090 O ALA A 69 6.881 -0.312 -3.012 1.00 0.00 O ATOM 1091 CB ALA A 69 7.823 -2.459 -5.232 1.00 0.00 C ATOM 0 H ALA A 69 8.072 0.463 -4.884 1.00 0.00 H new ATOM 0 HA ALA A 69 6.079 -1.401 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.264 -3.341 -4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.213 -2.616 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.651 -2.290 -4.544 1.00 0.00 H new ATOM 1097 N LEU A 70 5.209 -1.715 -3.551 1.00 0.00 N ATOM 1098 CA LEU A 70 4.572 -1.620 -2.244 1.00 0.00 C ATOM 1099 C LEU A 70 4.353 -3.018 -1.680 1.00 0.00 C ATOM 1100 O LEU A 70 3.871 -3.905 -2.382 1.00 0.00 O ATOM 1101 CB LEU A 70 3.236 -0.886 -2.361 1.00 0.00 C ATOM 1102 CG LEU A 70 2.780 -0.429 -0.978 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.607 0.543 -1.122 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.343 -1.643 -0.159 1.00 0.00 C ATOM 0 H LEU A 70 4.730 -2.327 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 70 5.220 -1.059 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.339 -0.027 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.487 -1.542 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 70 3.604 0.072 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.281 0.869 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.921 1.409 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.781 0.044 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.017 -1.317 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.519 -2.146 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.181 -2.333 -0.056 1.00 0.00 H new ATOM 1116 N VAL A 71 4.735 -3.225 -0.422 1.00 0.00 N ATOM 1117 CA VAL A 71 4.587 -4.544 0.178 1.00 0.00 C ATOM 1118 C VAL A 71 3.858 -4.499 1.518 1.00 0.00 C ATOM 1119 O VAL A 71 4.251 -3.774 2.432 1.00 0.00 O ATOM 1120 CB VAL A 71 5.971 -5.168 0.379 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.817 -6.621 0.832 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.751 -5.122 -0.941 1.00 0.00 C ATOM 0 H VAL A 71 5.140 -2.514 0.187 1.00 0.00 H new ATOM 0 HA VAL A 71 3.985 -5.146 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 71 6.514 -4.607 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.803 -7.064 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.265 -6.653 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.273 -7.183 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.736 -5.566 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.209 -5.681 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.863 -4.086 -1.261 1.00 0.00 H new ATOM 1132 N LYS A 72 2.814 -5.319 1.634 1.00 0.00 N ATOM 1133 CA LYS A 72 2.055 -5.412 2.875 1.00 0.00 C ATOM 1134 C LYS A 72 2.661 -6.517 3.732 1.00 0.00 C ATOM 1135 O LYS A 72 2.863 -7.632 3.255 1.00 0.00 O ATOM 1136 CB LYS A 72 0.584 -5.738 2.594 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.233 -5.543 3.877 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.507 -6.390 3.802 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.526 -5.901 4.836 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.492 -6.790 6.030 1.00 0.00 N ATOM 0 H LYS A 72 2.478 -5.925 0.886 1.00 0.00 H new ATOM 0 HA LYS A 72 2.100 -4.454 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.201 -5.092 1.804 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.488 -6.765 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.359 -5.832 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.489 -4.491 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.935 -6.329 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.268 -7.438 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.300 -4.875 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.526 -5.896 4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.319 -7.421 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.622 -7.359 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.512 -6.212 6.894 1.00 0.00 H new ATOM 1154 N ILE A 73 2.965 -6.209 4.983 1.00 0.00 N ATOM 1155 CA ILE A 73 3.564 -7.210 5.857 1.00 0.00 C ATOM 1156 C ILE A 73 2.531 -7.857 6.775 1.00 0.00 C ATOM 1157 O ILE A 73 2.793 -8.914 7.351 1.00 0.00 O ATOM 1158 CB ILE A 73 4.694 -6.596 6.689 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.416 -5.107 6.922 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.023 -6.769 5.948 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.109 -4.266 5.844 1.00 0.00 C ATOM 0 H ILE A 73 2.812 -5.296 5.411 1.00 0.00 H new ATOM 0 HA ILE A 73 3.976 -7.990 5.216 1.00 0.00 H new ATOM 0 HB ILE A 73 4.751 -7.101 7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.342 -4.923 6.903 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.773 -4.813 7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.828 -6.333 6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.219 -7.830 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.969 -6.267 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.905 -3.210 6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.184 -4.439 5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.731 -4.550 4.862 1.00 0.00 H new ATOM 1173 N GLY A 74 1.354 -7.247 6.912 1.00 0.00 N ATOM 1174 CA GLY A 74 0.326 -7.832 7.765 1.00 0.00 C ATOM 1175 C GLY A 74 -0.508 -6.766 8.457 1.00 0.00 C ATOM 1176 O GLY A 74 -0.584 -5.624 8.003 1.00 0.00 O ATOM 0 H GLY A 74 1.095 -6.372 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.324 -8.470 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.795 -8.470 8.514 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.131 -7.122 9.550 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.049 -8.501 10.113 1.00 0.00 C ATOM 1182 C PRO A 75 -1.420 -9.574 9.087 1.00 0.00 C ATOM 1183 O PRO A 75 -0.544 -10.182 8.473 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.047 -8.514 11.278 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.683 -7.160 11.346 1.00 0.00 C ATOM 1186 CD PRO A 75 -1.968 -6.237 10.360 1.00 0.00 C ATOM 0 HA PRO A 75 -0.030 -8.732 10.423 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.803 -9.285 11.126 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.539 -8.746 12.214 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.743 -7.227 11.101 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.614 -6.760 12.357 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.681 -5.693 9.741 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.366 -5.493 10.882 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.725 -9.797 8.924 1.00 0.00 N ATOM 1195 CA GLY A 76 -3.246 -10.795 7.984 1.00 0.00 C ATOM 1196 C GLY A 76 -2.135 -11.549 7.256 1.00 0.00 C ATOM 1197 O GLY A 76 -1.257 -12.146 7.880 1.00 0.00 O ATOM 0 H GLY A 76 -3.449 -9.294 9.437 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.870 -11.507 8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.885 -10.301 7.252 1.00 0.00 H new ATOM 1201 N SER A 77 -2.193 -11.526 5.928 1.00 0.00 N ATOM 1202 CA SER A 77 -1.195 -12.209 5.113 1.00 0.00 C ATOM 1203 C SER A 77 -0.303 -11.209 4.396 1.00 0.00 C ATOM 1204 O SER A 77 -0.699 -10.071 4.146 1.00 0.00 O ATOM 1205 CB SER A 77 -1.868 -13.114 4.085 1.00 0.00 C ATOM 1206 OG SER A 77 -0.956 -13.385 3.029 1.00 0.00 O ATOM 0 H SER A 77 -2.917 -11.044 5.396 1.00 0.00 H new ATOM 0 HA SER A 77 -0.583 -12.816 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.185 -14.045 4.555 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.764 -12.634 3.692 1.00 0.00 H new ATOM 0 HG SER A 77 -1.385 -13.967 2.368 1.00 0.00 H new ATOM 1212 N ARG A 78 0.903 -11.647 4.068 1.00 0.00 N ATOM 1213 CA ARG A 78 1.852 -10.785 3.376 1.00 0.00 C ATOM 1214 C ARG A 78 1.555 -10.753 1.881 1.00 0.00 C ATOM 1215 O ARG A 78 1.240 -11.777 1.276 1.00 0.00 O ATOM 1216 CB ARG A 78 3.281 -11.283 3.595 1.00 0.00 C ATOM 1217 CG ARG A 78 4.263 -10.282 2.980 1.00 0.00 C ATOM 1218 CD ARG A 78 5.684 -10.844 3.042 1.00 0.00 C ATOM 1219 NE ARG A 78 6.130 -11.237 1.709 1.00 0.00 N ATOM 1220 CZ ARG A 78 5.589 -12.275 1.077 1.00 0.00 C ATOM 1221 NH1 ARG A 78 4.293 -12.421 1.053 1.00 0.00 N ATOM 1222 NH2 ARG A 78 6.354 -13.148 0.479 1.00 0.00 N ATOM 0 H ARG A 78 1.247 -12.586 4.267 1.00 0.00 H new ATOM 0 HA ARG A 78 1.753 -9.779 3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.480 -11.398 4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.411 -12.265 3.139 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.988 -10.078 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.213 -9.334 3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.361 -10.096 3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.714 -11.704 3.711 1.00 0.00 H new ATOM 0 HE ARG A 78 6.871 -10.705 1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.694 -11.739 1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.878 -13.217 0.568 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.368 -13.034 0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.938 -13.944 -0.005 1.00 0.00 H new ATOM 1236 N GLN A 79 1.667 -9.569 1.291 1.00 0.00 N ATOM 1237 CA GLN A 79 1.420 -9.408 -0.135 1.00 0.00 C ATOM 1238 C GLN A 79 2.407 -8.410 -0.725 1.00 0.00 C ATOM 1239 O GLN A 79 2.821 -7.465 -0.053 1.00 0.00 O ATOM 1240 CB GLN A 79 -0.010 -8.916 -0.369 1.00 0.00 C ATOM 1241 CG GLN A 79 -1.002 -9.952 0.163 1.00 0.00 C ATOM 1242 CD GLN A 79 -0.936 -11.218 -0.685 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -0.247 -12.173 -0.323 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -1.612 -11.283 -1.799 1.00 0.00 N ATOM 0 H GLN A 79 1.926 -8.710 1.776 1.00 0.00 H new ATOM 0 HA GLN A 79 1.550 -10.373 -0.624 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.163 -7.960 0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.178 -8.749 -1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.773 -10.188 1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.012 -9.544 0.144 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.182 -10.491 -2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.571 -12.126 -2.372 1.00 0.00 H new ATOM 1253 N VAL A 80 2.785 -8.622 -1.979 1.00 0.00 N ATOM 1254 CA VAL A 80 3.729 -7.726 -2.634 1.00 0.00 C ATOM 1255 C VAL A 80 3.091 -7.068 -3.852 1.00 0.00 C ATOM 1256 O VAL A 80 2.615 -7.746 -4.761 1.00 0.00 O ATOM 1257 CB VAL A 80 4.973 -8.508 -3.065 1.00 0.00 C ATOM 1258 CG1 VAL A 80 5.974 -7.556 -3.722 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.618 -9.159 -1.837 1.00 0.00 C ATOM 0 H VAL A 80 2.458 -9.396 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 80 4.014 -6.948 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 80 4.686 -9.281 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.859 -8.113 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.516 -7.093 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.261 -6.782 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.504 -9.716 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.904 -8.386 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.906 -9.839 -1.369 1.00 0.00 H new ATOM 1269 N LEU A 81 3.093 -5.739 -3.863 1.00 0.00 N ATOM 1270 CA LEU A 81 2.521 -4.994 -4.973 1.00 0.00 C ATOM 1271 C LEU A 81 3.613 -4.184 -5.664 1.00 0.00 C ATOM 1272 O LEU A 81 4.352 -3.452 -5.010 1.00 0.00 O ATOM 1273 CB LEU A 81 1.449 -4.046 -4.451 1.00 0.00 C ATOM 1274 CG LEU A 81 0.588 -4.757 -3.411 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.276 -3.726 -2.695 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.315 -5.783 -4.094 1.00 0.00 C ATOM 0 H LEU A 81 3.483 -5.160 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 81 2.079 -5.692 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.914 -3.165 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.826 -3.698 -5.275 1.00 0.00 H new ATOM 0 HG LEU A 81 1.233 -5.268 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.895 -4.225 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.364 -2.993 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.916 -3.221 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.926 -6.286 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.962 -5.278 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.299 -6.518 -4.615 1.00 0.00 H new ATOM 1288 N SER A 82 3.715 -4.308 -6.980 1.00 0.00 N ATOM 1289 CA SER A 82 4.732 -3.564 -7.713 1.00 0.00 C ATOM 1290 C SER A 82 4.354 -3.391 -9.174 1.00 0.00 C ATOM 1291 O SER A 82 3.400 -3.999 -9.662 1.00 0.00 O ATOM 1292 CB SER A 82 6.081 -4.275 -7.630 1.00 0.00 C ATOM 1293 OG SER A 82 6.999 -3.630 -8.502 1.00 0.00 O ATOM 0 H SER A 82 3.119 -4.904 -7.554 1.00 0.00 H new ATOM 0 HA SER A 82 4.804 -2.579 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.455 -4.253 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.972 -5.323 -7.907 1.00 0.00 H new ATOM 0 HG SER A 82 7.212 -2.739 -8.153 1.00 0.00 H new ATOM 1299 N GLY A 83 5.121 -2.560 -9.865 1.00 0.00 N ATOM 1300 CA GLY A 83 4.879 -2.307 -11.280 1.00 0.00 C ATOM 1301 C GLY A 83 3.985 -1.089 -11.474 1.00 0.00 C ATOM 1302 O GLY A 83 3.004 -1.138 -12.216 1.00 0.00 O ATOM 0 H GLY A 83 5.913 -2.051 -9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.828 -2.150 -11.792 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.412 -3.181 -11.734 1.00 0.00 H new ATOM 1306 N ILE A 84 4.335 -0.001 -10.795 1.00 0.00 N ATOM 1307 CA ILE A 84 3.572 1.244 -10.877 1.00 0.00 C ATOM 1308 C ILE A 84 2.066 0.987 -10.853 1.00 0.00 C ATOM 1309 O ILE A 84 1.270 1.913 -11.009 1.00 0.00 O ATOM 1310 CB ILE A 84 3.956 2.014 -12.145 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.371 1.328 -13.386 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.480 2.052 -12.265 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.621 2.205 -14.614 1.00 0.00 C ATOM 0 H ILE A 84 5.146 0.045 -10.178 1.00 0.00 H new ATOM 0 HA ILE A 84 3.819 1.843 -10.001 1.00 0.00 H new ATOM 0 HB ILE A 84 3.557 3.026 -12.079 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.830 0.349 -13.525 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.302 1.163 -13.254 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.761 2.599 -13.165 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.901 2.550 -11.392 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.866 1.034 -12.323 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.206 1.720 -15.498 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.142 3.174 -14.473 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.693 2.347 -14.748 1.00 0.00 H new ATOM 1325 N ASP A 85 1.680 -0.267 -10.640 1.00 0.00 N ATOM 1326 CA ASP A 85 0.265 -0.620 -10.579 1.00 0.00 C ATOM 1327 C ASP A 85 -0.181 -0.693 -9.124 1.00 0.00 C ATOM 1328 O ASP A 85 -1.258 -1.202 -8.813 1.00 0.00 O ATOM 1329 CB ASP A 85 0.028 -1.970 -11.261 1.00 0.00 C ATOM 1330 CG ASP A 85 0.714 -3.082 -10.476 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.078 -2.839 -9.336 1.00 0.00 O ATOM 1332 OD2 ASP A 85 0.868 -4.162 -11.024 1.00 0.00 O ATOM 0 H ASP A 85 2.320 -1.050 -10.508 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.314 0.144 -11.098 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.042 -2.169 -11.329 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.413 -1.944 -12.281 1.00 0.00 H new ATOM 1337 N LEU A 86 0.670 -0.183 -8.243 1.00 0.00 N ATOM 1338 CA LEU A 86 0.392 -0.186 -6.816 1.00 0.00 C ATOM 1339 C LEU A 86 -1.018 0.308 -6.522 1.00 0.00 C ATOM 1340 O LEU A 86 -1.748 -0.302 -5.742 1.00 0.00 O ATOM 1341 CB LEU A 86 1.401 0.718 -6.109 1.00 0.00 C ATOM 1342 CG LEU A 86 2.815 0.233 -6.420 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.833 1.137 -5.723 1.00 0.00 C ATOM 1344 CD2 LEU A 86 2.972 -1.198 -5.909 1.00 0.00 C ATOM 0 H LEU A 86 1.563 0.240 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 86 0.475 -1.210 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.277 1.749 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.228 0.705 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 86 2.986 0.263 -7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.842 0.789 -5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.715 2.160 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.669 1.107 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.979 -1.554 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.804 -1.220 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.245 -1.843 -6.403 1.00 0.00 H new ATOM 1356 N THR A 87 -1.395 1.419 -7.142 1.00 0.00 N ATOM 1357 CA THR A 87 -2.720 1.979 -6.919 1.00 0.00 C ATOM 1358 C THR A 87 -3.799 1.052 -7.462 1.00 0.00 C ATOM 1359 O THR A 87 -4.865 0.914 -6.862 1.00 0.00 O ATOM 1360 CB THR A 87 -2.831 3.353 -7.584 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.733 3.203 -8.994 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.702 4.257 -7.085 1.00 0.00 C ATOM 0 H THR A 87 -0.811 1.943 -7.794 1.00 0.00 H new ATOM 0 HA THR A 87 -2.867 2.088 -5.844 1.00 0.00 H new ATOM 0 HB THR A 87 -3.791 3.803 -7.331 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.806 4.081 -9.422 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.782 5.235 -7.559 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.778 4.371 -6.004 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.740 3.810 -7.336 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.521 0.409 -8.589 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.486 -0.505 -9.177 1.00 0.00 C ATOM 1372 C ASP A 88 -4.569 -1.775 -8.340 1.00 0.00 C ATOM 1373 O ASP A 88 -5.658 -2.243 -8.005 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.062 -0.854 -10.603 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.134 0.387 -11.487 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.733 1.360 -11.061 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.586 0.346 -12.577 1.00 0.00 O ATOM 0 H ASP A 88 -2.647 0.502 -9.107 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.465 -0.027 -9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.047 -1.252 -10.602 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.710 -1.634 -11.003 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.409 -2.319 -7.994 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.354 -3.524 -7.183 1.00 0.00 C ATOM 1384 C GLN A 89 -3.846 -3.224 -5.769 1.00 0.00 C ATOM 1385 O GLN A 89 -4.626 -3.983 -5.200 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.918 -4.055 -7.144 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.937 -5.583 -7.100 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.508 -6.116 -7.052 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.295 -7.308 -6.828 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.489 -5.299 -7.256 1.00 0.00 N ATOM 0 H GLN A 89 -2.499 -1.945 -8.262 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.000 -4.283 -7.623 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.369 -3.713 -8.022 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.398 -3.662 -6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.492 -5.924 -6.226 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.452 -5.975 -7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.310 -4.312 -7.441 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.447 -5.647 -7.230 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.392 -2.104 -5.208 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.804 -1.720 -3.862 1.00 0.00 C ATOM 1401 C LEU A 90 -5.324 -1.616 -3.763 1.00 0.00 C ATOM 1402 O LEU A 90 -5.931 -2.143 -2.832 1.00 0.00 O ATOM 1403 CB LEU A 90 -3.177 -0.377 -3.490 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.630 0.025 -2.086 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -3.005 -0.920 -1.059 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -3.182 1.459 -1.803 1.00 0.00 C ATOM 0 H LEU A 90 -2.747 -1.455 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.463 -2.490 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.090 -0.448 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.471 0.386 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.716 -0.037 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.327 -0.634 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.323 -1.942 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.919 -0.858 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.503 1.750 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.096 1.520 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.628 2.131 -2.537 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.929 -0.928 -4.724 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.378 -0.757 -4.731 1.00 0.00 C ATOM 1420 C ALA A 91 -8.079 -2.109 -4.764 1.00 0.00 C ATOM 1421 O ALA A 91 -9.104 -2.305 -4.111 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.802 0.071 -5.944 1.00 0.00 C ATOM 0 H ALA A 91 -5.444 -0.482 -5.503 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.666 -0.235 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.885 0.193 -5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.326 1.051 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.497 -0.440 -6.858 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.520 -3.039 -5.530 1.00 0.00 N ATOM 1429 CA ASN A 92 -8.090 -4.370 -5.644 1.00 0.00 C ATOM 1430 C ASN A 92 -7.714 -5.221 -4.438 1.00 0.00 C ATOM 1431 O ASN A 92 -8.510 -6.023 -3.951 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.568 -5.036 -6.913 1.00 0.00 C ATOM 1433 CG ASN A 92 -8.141 -4.342 -8.144 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -7.479 -4.269 -9.179 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -9.337 -3.823 -8.094 1.00 0.00 N ATOM 0 H ASN A 92 -6.673 -2.893 -6.080 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.176 -4.283 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.479 -4.991 -6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.844 -6.090 -6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.725 -3.356 -8.914 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.884 -3.885 -7.235 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.484 -5.046 -3.975 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.982 -5.803 -2.838 1.00 0.00 C ATOM 1444 C GLN A 93 -6.512 -5.255 -1.519 1.00 0.00 C ATOM 1445 O GLN A 93 -6.727 -6.005 -0.568 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.457 -5.750 -2.830 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.917 -6.513 -4.038 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.242 -7.991 -3.895 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.922 -8.603 -2.877 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.869 -8.601 -4.857 1.00 0.00 N ATOM 0 H GLN A 93 -5.815 -4.385 -4.370 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.327 -6.832 -2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.118 -4.714 -2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.072 -6.186 -1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.357 -6.121 -4.955 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.839 -6.373 -4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.132 -8.089 -5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.098 -9.591 -4.769 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.704 -3.944 -1.461 1.00 0.00 N ATOM 1460 CA LEU A 94 -7.191 -3.311 -0.243 1.00 0.00 C ATOM 1461 C LEU A 94 -8.469 -3.984 0.268 1.00 0.00 C ATOM 1462 O LEU A 94 -8.503 -4.464 1.400 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.429 -1.821 -0.490 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.329 -1.254 0.609 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.733 -1.585 1.979 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.429 0.265 0.450 1.00 0.00 C ATOM 0 H LEU A 94 -6.532 -3.303 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.430 -3.428 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.478 -1.289 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.893 -1.674 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.322 -1.695 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.374 -1.181 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.660 -2.667 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.740 -1.144 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.070 0.671 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.435 0.705 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.853 0.502 -0.526 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.513 -4.036 -0.526 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.795 -4.674 -0.113 1.00 0.00 C ATOM 1480 C PRO A 95 -10.572 -6.043 0.527 1.00 0.00 C ATOM 1481 O PRO A 95 -11.140 -6.351 1.575 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.590 -4.828 -1.418 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.733 -4.292 -2.524 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.601 -3.491 -1.884 1.00 0.00 C ATOM 0 HA PRO A 95 -11.312 -4.073 0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.838 -5.874 -1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.532 -4.282 -1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.332 -5.107 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.320 -3.660 -3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.665 -3.617 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.822 -2.424 -1.873 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.745 -6.859 -0.118 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.451 -8.199 0.379 1.00 0.00 C ATOM 1494 C GLN A 96 -8.781 -8.138 1.747 1.00 0.00 C ATOM 1495 O GLN A 96 -8.991 -9.009 2.591 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.528 -8.918 -0.605 1.00 0.00 C ATOM 1497 CG GLN A 96 -9.232 -9.053 -1.955 1.00 0.00 C ATOM 1498 CD GLN A 96 -8.303 -9.720 -2.963 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -7.116 -9.898 -2.691 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.775 -10.100 -4.120 1.00 0.00 N ATOM 0 H GLN A 96 -9.267 -6.616 -0.986 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.390 -8.744 0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.598 -8.362 -0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.264 -9.903 -0.220 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.143 -9.642 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.531 -8.070 -2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.759 -9.951 -4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.159 -10.545 -4.801 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.966 -7.111 1.955 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.261 -6.957 3.224 1.00 0.00 C ATOM 1511 C TRP A 97 -8.245 -6.732 4.366 1.00 0.00 C ATOM 1512 O TRP A 97 -8.093 -7.301 5.445 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.298 -5.774 3.146 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.312 -5.992 2.043 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.160 -7.139 1.338 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.340 -5.052 1.509 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.150 -6.959 0.407 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.616 -5.688 0.474 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -4.020 -3.720 1.822 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.609 -5.024 -0.226 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -3.008 -3.048 1.120 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.304 -3.698 0.097 1.00 0.00 C ATOM 0 H TRP A 97 -7.777 -6.379 1.270 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.702 -7.873 3.416 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.854 -4.853 2.972 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.775 -5.656 4.095 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.732 -8.044 1.479 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.839 -7.677 -0.247 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.557 -3.210 2.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.068 -5.530 -1.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.770 -2.024 1.369 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.527 -3.175 -0.441 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.257 -5.907 4.121 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.260 -5.633 5.137 1.00 0.00 C ATOM 1535 C LEU A 98 -11.006 -6.913 5.484 1.00 0.00 C ATOM 1536 O LEU A 98 -11.392 -7.137 6.631 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.248 -4.589 4.618 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.498 -3.307 4.257 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.493 -2.266 3.740 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.795 -2.763 5.501 1.00 0.00 C ATOM 0 H LEU A 98 -9.402 -5.422 3.236 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.767 -5.251 6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.773 -4.974 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.003 -4.379 5.376 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.759 -3.521 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.961 -1.351 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.998 -2.654 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.230 -2.051 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.259 -1.849 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.535 -2.547 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.089 -3.505 5.874 1.00 0.00 H new ATOM 1552 N VAL A 99 -11.205 -7.744 4.470 1.00 0.00 N ATOM 1553 CA VAL A 99 -11.906 -9.009 4.645 1.00 0.00 C ATOM 1554 C VAL A 99 -11.140 -9.939 5.583 1.00 0.00 C ATOM 1555 O VAL A 99 -11.725 -10.562 6.468 1.00 0.00 O ATOM 1556 CB VAL A 99 -12.085 -9.672 3.279 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -12.603 -11.098 3.460 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -13.091 -8.865 2.455 1.00 0.00 C ATOM 0 H VAL A 99 -10.891 -7.565 3.516 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.880 -8.813 5.094 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.126 -9.702 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.729 -11.566 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.888 -11.673 4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.562 -11.074 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -13.222 -9.334 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -14.048 -8.837 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.720 -7.849 2.322 1.00 0.00 H new ATOM 1568 N GLN A 100 -9.829 -10.024 5.384 1.00 0.00 N ATOM 1569 CA GLN A 100 -8.988 -10.876 6.220 1.00 0.00 C ATOM 1570 C GLN A 100 -9.508 -12.310 6.235 1.00 0.00 C ATOM 1571 O GLN A 100 -9.679 -12.903 7.299 1.00 0.00 O ATOM 1572 CB GLN A 100 -8.934 -10.339 7.650 1.00 0.00 C ATOM 1573 CG GLN A 100 -8.365 -8.921 7.640 1.00 0.00 C ATOM 1574 CD GLN A 100 -8.116 -8.450 9.068 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -8.973 -8.616 9.936 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -6.986 -7.872 9.366 1.00 0.00 N ATOM 0 H GLN A 100 -9.327 -9.517 4.655 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.984 -10.870 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.932 -10.339 8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.314 -10.987 8.270 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.434 -8.898 7.073 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.059 -8.245 7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.277 -7.736 8.645 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.811 -7.556 10.320 1.00 0.00 H new ATOM 1585 N GLN A 101 -9.759 -12.858 5.054 1.00 0.00 N ATOM 1586 CA GLN A 101 -10.263 -14.223 4.949 1.00 0.00 C ATOM 1587 C GLN A 101 -9.629 -15.112 6.017 1.00 0.00 C ATOM 1588 O GLN A 101 -8.636 -14.737 6.641 1.00 0.00 O ATOM 1589 CB GLN A 101 -9.951 -14.786 3.562 1.00 0.00 C ATOM 1590 CG GLN A 101 -10.641 -13.930 2.497 1.00 0.00 C ATOM 1591 CD GLN A 101 -10.279 -14.441 1.107 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -9.393 -15.283 0.965 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -10.914 -13.975 0.065 1.00 0.00 N ATOM 0 H GLN A 101 -9.624 -12.384 4.161 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.342 -14.207 5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.874 -14.795 3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.293 -15.819 3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.722 -13.962 2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.337 -12.889 2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.648 -13.277 0.185 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.676 -14.309 -0.869 1.00 0.00 H new ATOM 1602 N GLU A 102 -10.215 -16.286 6.230 1.00 0.00 N ATOM 1603 CA GLU A 102 -9.709 -17.218 7.234 1.00 0.00 C ATOM 1604 C GLU A 102 -8.267 -17.618 6.931 1.00 0.00 C ATOM 1605 O GLU A 102 -7.462 -17.799 7.844 1.00 0.00 O ATOM 1606 CB GLU A 102 -10.589 -18.468 7.264 1.00 0.00 C ATOM 1607 CG GLU A 102 -12.003 -18.087 7.705 1.00 0.00 C ATOM 1608 CD GLU A 102 -12.890 -19.327 7.747 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -12.419 -20.382 7.351 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -14.028 -19.203 8.166 1.00 0.00 O ATOM 0 H GLU A 102 -11.037 -16.614 5.724 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.734 -16.723 8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.617 -18.930 6.277 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.169 -19.205 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.972 -17.619 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.422 -17.354 7.016 1.00 0.00 H new ATOM 1617 N GLY A 103 -7.943 -17.751 5.648 1.00 0.00 N ATOM 1618 CA GLY A 103 -6.588 -18.125 5.255 1.00 0.00 C ATOM 1619 C GLY A 103 -6.560 -18.729 3.855 1.00 0.00 C ATOM 1620 O GLY A 103 -7.599 -18.906 3.220 1.00 0.00 O ATOM 0 H GLY A 103 -8.590 -17.608 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.943 -17.247 5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.185 -18.842 5.970 1.00 0.00 H new ATOM 1624 N ILE A 104 -5.357 -19.045 3.385 1.00 0.00 N ATOM 1625 CA ILE A 104 -5.185 -19.631 2.062 1.00 0.00 C ATOM 1626 C ILE A 104 -4.699 -21.075 2.171 1.00 0.00 C ATOM 1627 O ILE A 104 -3.785 -21.373 2.942 1.00 0.00 O ATOM 1628 CB ILE A 104 -4.177 -18.809 1.258 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -4.686 -17.371 1.127 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -4.010 -19.423 -0.132 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -3.862 -16.451 2.030 1.00 0.00 C ATOM 0 H ILE A 104 -4.488 -18.905 3.901 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.149 -19.625 1.553 1.00 0.00 H new ATOM 0 HB ILE A 104 -3.215 -18.809 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -4.612 -17.041 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -5.739 -17.321 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.291 -18.837 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.649 -20.447 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.971 -19.424 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.225 -15.428 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.958 -16.776 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.814 -16.493 1.733 1.00 0.00 H new ATOM 1643 N PHE A 105 -5.311 -21.965 1.397 1.00 0.00 N ATOM 1644 CA PHE A 105 -4.927 -23.372 1.420 1.00 0.00 C ATOM 1645 C PHE A 105 -3.437 -23.524 1.130 1.00 0.00 C ATOM 1646 O PHE A 105 -2.993 -24.652 0.995 1.00 0.00 O ATOM 1647 CB PHE A 105 -5.732 -24.155 0.380 1.00 0.00 C ATOM 1648 CG PHE A 105 -5.358 -23.687 -1.007 1.00 0.00 C ATOM 1649 CD1 PHE A 105 -6.008 -22.582 -1.571 1.00 0.00 C ATOM 1650 CD2 PHE A 105 -4.365 -24.360 -1.728 1.00 0.00 C ATOM 1651 CE1 PHE A 105 -5.662 -22.151 -2.857 1.00 0.00 C ATOM 1652 CE2 PHE A 105 -4.020 -23.929 -3.014 1.00 0.00 C ATOM 1653 CZ PHE A 105 -4.669 -22.824 -3.579 1.00 0.00 C ATOM 1654 OXT PHE A 105 -2.764 -22.510 1.047 1.00 0.00 O ATOM 0 H PHE A 105 -6.068 -21.740 0.752 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.137 -23.768 2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.534 -25.222 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -6.799 -24.011 0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.775 -22.063 -1.015 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.865 -25.212 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.162 -21.298 -3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.254 -24.448 -3.570 1.00 0.00 H new ATOM 0 HZ PHE A 105 -4.404 -22.491 -4.572 1.00 0.00 H new TER 1664 PHE A 105