USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 LYS NZ :NH3+ -170:sc= 0.765 (180deg=0.476) USER MOD Set 1.2: A 58 SER OG : rot -160:sc=-0.00736 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc=-0.00711 (180deg=-0.194) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 4 HIS : no HD1:sc= -0.0269 X(o=-0.027,f=-0.0048) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.265 K(o=-0.26,f=-1.5) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 15 GLN : amide:sc= 0.565 K(o=0.57,f=-0.62) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.093 USER MOD Single : A 17 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.26) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 42 THR OG1 : rot -145:sc= -0.132 USER MOD Single : A 45 GLN : amide:sc= -1.81 K(o=-1.8,f=-8.3!) USER MOD Single : A 47 GLN : amide:sc= -2.49 K(o=-2.5,f=-4.5!) USER MOD Single : A 54 THR OG1 : rot -80:sc= 0.824 USER MOD Single : A 59 SER OG : rot 132:sc= -1.21! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -173:sc= -0.603! (180deg=-0.789!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0321 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 94:sc= 1.25 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -22:sc= 0.322 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.554 -35.677 -67.655 1.00 42.33 N ATOM 2 CA MET A 1 11.551 -34.589 -67.699 1.00 64.05 C ATOM 3 C MET A 1 10.713 -34.583 -66.425 1.00 13.42 C ATOM 4 O MET A 1 10.406 -35.640 -65.863 1.00 71.30 O ATOM 5 CB MET A 1 10.640 -34.742 -68.924 1.00 34.21 C ATOM 6 CG MET A 1 11.372 -34.628 -70.252 1.00 22.10 C ATOM 7 SD MET A 1 10.281 -34.868 -71.665 1.00 51.33 S ATOM 8 CE MET A 1 11.456 -34.759 -73.015 1.00 62.53 C ATOM 0 H1 MET A 1 13.501 -35.283 -67.825 1.00 42.33 H new ATOM 0 H2 MET A 1 12.531 -36.132 -66.720 1.00 42.33 H new ATOM 0 H3 MET A 1 12.335 -36.381 -68.389 1.00 42.33 H new ATOM 0 HA MET A 1 12.083 -33.641 -67.775 1.00 64.05 H new ATOM 0 HB2 MET A 1 10.142 -35.711 -68.876 1.00 34.21 H new ATOM 0 HB3 MET A 1 9.861 -33.981 -68.883 1.00 34.21 H new ATOM 0 HG2 MET A 1 11.840 -33.646 -70.322 1.00 22.10 H new ATOM 0 HG3 MET A 1 12.173 -35.367 -70.286 1.00 22.10 H new ATOM 0 HE1 MET A 1 10.934 -34.888 -73.963 1.00 62.53 H new ATOM 0 HE2 MET A 1 11.941 -33.783 -72.998 1.00 62.53 H new ATOM 0 HE3 MET A 1 12.209 -35.540 -72.906 1.00 62.53 H new ATOM 20 N ALA A 2 10.349 -33.388 -65.972 1.00 15.35 N ATOM 21 CA ALA A 2 9.574 -33.225 -64.748 1.00 62.22 C ATOM 22 C ALA A 2 8.106 -32.950 -65.063 1.00 54.21 C ATOM 23 O ALA A 2 7.780 -32.001 -65.782 1.00 13.45 O ATOM 24 CB ALA A 2 10.158 -32.099 -63.903 1.00 15.21 C ATOM 0 H ALA A 2 10.581 -32.511 -66.439 1.00 15.35 H new ATOM 0 HA ALA A 2 9.628 -34.155 -64.182 1.00 62.22 H new ATOM 0 HB1 ALA A 2 9.571 -31.986 -62.991 1.00 15.21 H new ATOM 0 HB2 ALA A 2 11.190 -32.336 -63.643 1.00 15.21 H new ATOM 0 HB3 ALA A 2 10.131 -31.168 -64.469 1.00 15.21 H new ATOM 30 N HIS A 3 7.228 -33.784 -64.528 1.00 62.30 N ATOM 31 CA HIS A 3 5.789 -33.617 -64.697 1.00 61.24 C ATOM 32 C HIS A 3 5.083 -34.224 -63.487 1.00 75.23 C ATOM 33 O HIS A 3 5.013 -35.444 -63.348 1.00 31.12 O ATOM 34 CB HIS A 3 5.309 -34.277 -66.003 1.00 53.45 C ATOM 35 CG HIS A 3 3.988 -33.759 -66.497 1.00 10.41 C ATOM 36 ND1 HIS A 3 3.842 -33.125 -67.712 1.00 44.13 N ATOM 37 CD2 HIS A 3 2.751 -33.784 -65.941 1.00 54.24 C ATOM 38 CE1 HIS A 3 2.581 -32.780 -67.881 1.00 44.22 C ATOM 39 NE2 HIS A 3 1.897 -33.167 -66.822 1.00 52.33 N ATOM 0 H HIS A 3 7.489 -34.594 -63.966 1.00 62.30 H new ATOM 0 HA HIS A 3 5.549 -32.556 -64.765 1.00 61.24 H new ATOM 0 HB2 HIS A 3 6.062 -34.120 -66.776 1.00 53.45 H new ATOM 0 HB3 HIS A 3 5.231 -35.353 -65.848 1.00 53.45 H new ATOM 0 HD2 HIS A 3 2.487 -34.210 -64.984 1.00 54.24 H new ATOM 0 HE1 HIS A 3 2.177 -32.267 -68.741 1.00 44.22 H new ATOM 0 HE2 HIS A 3 0.896 -33.030 -66.680 1.00 52.33 H new ATOM 48 N HIS A 4 4.573 -33.367 -62.612 1.00 45.44 N ATOM 49 CA HIS A 4 4.074 -33.796 -61.307 1.00 14.04 C ATOM 50 C HIS A 4 2.649 -34.340 -61.398 1.00 24.20 C ATOM 51 O HIS A 4 1.800 -33.770 -62.086 1.00 32.41 O ATOM 52 CB HIS A 4 4.115 -32.625 -60.315 1.00 31.14 C ATOM 53 CG HIS A 4 5.477 -32.020 -60.149 1.00 25.40 C ATOM 54 ND1 HIS A 4 6.290 -32.279 -59.069 1.00 41.35 N ATOM 55 CD2 HIS A 4 6.166 -31.157 -60.934 1.00 61.12 C ATOM 56 CE1 HIS A 4 7.414 -31.602 -59.194 1.00 25.52 C ATOM 57 NE2 HIS A 4 7.366 -30.913 -60.317 1.00 63.11 N ATOM 0 H HIS A 4 4.493 -32.364 -62.782 1.00 45.44 H new ATOM 0 HA HIS A 4 4.722 -34.599 -60.956 1.00 14.04 H new ATOM 0 HB2 HIS A 4 3.423 -31.853 -60.650 1.00 31.14 H new ATOM 0 HB3 HIS A 4 3.760 -32.971 -59.344 1.00 31.14 H new ATOM 0 HD2 HIS A 4 5.832 -30.739 -61.872 1.00 61.12 H new ATOM 0 HE1 HIS A 4 8.236 -31.610 -58.494 1.00 25.52 H new ATOM 0 HE2 HIS A 4 8.101 -30.299 -60.669 1.00 63.11 H new ATOM 66 N HIS A 5 2.406 -35.451 -60.707 1.00 43.15 N ATOM 67 CA HIS A 5 1.061 -35.997 -60.535 1.00 52.04 C ATOM 68 C HIS A 5 0.716 -36.002 -59.050 1.00 31.33 C ATOM 69 O HIS A 5 1.074 -36.930 -58.321 1.00 44.54 O ATOM 70 CB HIS A 5 0.954 -37.424 -61.104 1.00 13.13 C ATOM 71 CG HIS A 5 0.764 -37.483 -62.590 1.00 51.14 C ATOM 72 ND1 HIS A 5 -0.377 -37.987 -63.175 1.00 45.22 N ATOM 73 CD2 HIS A 5 1.574 -37.115 -63.609 1.00 75.11 C ATOM 74 CE1 HIS A 5 -0.260 -37.931 -64.486 1.00 22.22 C ATOM 75 NE2 HIS A 5 0.913 -37.405 -64.777 1.00 71.23 N ATOM 0 H HIS A 5 3.135 -35.999 -60.250 1.00 43.15 H new ATOM 0 HA HIS A 5 0.358 -35.370 -61.083 1.00 52.04 H new ATOM 0 HB2 HIS A 5 1.857 -37.975 -60.843 1.00 13.13 H new ATOM 0 HB3 HIS A 5 0.119 -37.933 -60.622 1.00 13.13 H new ATOM 0 HD2 HIS A 5 2.557 -36.675 -63.520 1.00 75.11 H new ATOM 0 HE1 HIS A 5 -1.000 -38.260 -65.201 1.00 22.22 H new ATOM 0 HE2 HIS A 5 1.272 -37.240 -65.718 1.00 71.23 H new ATOM 84 N HIS A 6 0.054 -34.946 -58.592 1.00 45.44 N ATOM 85 CA HIS A 6 -0.274 -34.807 -57.176 1.00 65.41 C ATOM 86 C HIS A 6 -1.714 -34.334 -57.005 1.00 61.41 C ATOM 87 O HIS A 6 -2.120 -33.317 -57.570 1.00 42.22 O ATOM 88 CB HIS A 6 0.700 -33.828 -56.500 1.00 63.14 C ATOM 89 CG HIS A 6 0.581 -33.788 -55.006 1.00 1.11 C ATOM 90 ND1 HIS A 6 0.599 -32.619 -54.282 1.00 42.22 N ATOM 91 CD2 HIS A 6 0.464 -34.787 -54.097 1.00 65.43 C ATOM 92 CE1 HIS A 6 0.497 -32.898 -52.998 1.00 42.01 C ATOM 93 NE2 HIS A 6 0.411 -34.203 -52.860 1.00 73.25 N ATOM 0 H HIS A 6 -0.266 -34.175 -59.178 1.00 45.44 H new ATOM 0 HA HIS A 6 -0.176 -35.781 -56.698 1.00 65.41 H new ATOM 0 HB2 HIS A 6 1.720 -34.104 -56.766 1.00 63.14 H new ATOM 0 HB3 HIS A 6 0.527 -32.827 -56.896 1.00 63.14 H new ATOM 0 HD2 HIS A 6 0.421 -35.845 -54.309 1.00 65.43 H new ATOM 0 HE1 HIS A 6 0.486 -32.176 -52.194 1.00 42.01 H new ATOM 0 HE2 HIS A 6 0.320 -34.700 -51.974 1.00 73.25 H new ATOM 102 N HIS A 7 -2.478 -35.090 -56.225 1.00 41.25 N ATOM 103 CA HIS A 7 -3.889 -34.805 -55.971 1.00 71.21 C ATOM 104 C HIS A 7 -4.158 -34.792 -54.470 1.00 1.31 C ATOM 105 O HIS A 7 -3.542 -35.547 -53.718 1.00 43.01 O ATOM 106 CB HIS A 7 -4.767 -35.863 -56.663 1.00 4.24 C ATOM 107 CG HIS A 7 -6.183 -35.923 -56.163 1.00 51.54 C ATOM 108 ND1 HIS A 7 -7.177 -35.073 -56.598 1.00 41.15 N ATOM 109 CD2 HIS A 7 -6.768 -36.752 -55.264 1.00 64.14 C ATOM 110 CE1 HIS A 7 -8.309 -35.377 -55.988 1.00 54.14 C ATOM 111 NE2 HIS A 7 -8.087 -36.393 -55.174 1.00 55.45 N ATOM 0 H HIS A 7 -2.136 -35.924 -55.747 1.00 41.25 H new ATOM 0 HA HIS A 7 -4.134 -33.823 -56.376 1.00 71.21 H new ATOM 0 HB2 HIS A 7 -4.782 -35.660 -57.734 1.00 4.24 H new ATOM 0 HB3 HIS A 7 -4.307 -36.842 -56.530 1.00 4.24 H new ATOM 0 HD2 HIS A 7 -6.283 -37.549 -54.719 1.00 64.14 H new ATOM 0 HE1 HIS A 7 -9.256 -34.879 -56.131 1.00 54.14 H new ATOM 0 HE2 HIS A 7 -8.784 -36.838 -54.576 1.00 55.45 H new ATOM 120 N HIS A 8 -5.077 -33.930 -54.038 1.00 21.43 N ATOM 121 CA HIS A 8 -5.463 -33.853 -52.634 1.00 5.40 C ATOM 122 C HIS A 8 -6.901 -33.350 -52.516 1.00 12.40 C ATOM 123 O HIS A 8 -7.334 -32.496 -53.292 1.00 22.00 O ATOM 124 CB HIS A 8 -4.521 -32.917 -51.856 1.00 32.05 C ATOM 125 CG HIS A 8 -4.821 -31.449 -52.030 1.00 21.35 C ATOM 126 ND1 HIS A 8 -4.609 -30.769 -53.212 1.00 12.31 N ATOM 127 CD2 HIS A 8 -5.339 -30.538 -51.169 1.00 33.13 C ATOM 128 CE1 HIS A 8 -4.976 -29.510 -53.067 1.00 71.32 C ATOM 129 NE2 HIS A 8 -5.423 -29.343 -51.840 1.00 14.55 N ATOM 0 H HIS A 8 -5.569 -33.274 -54.644 1.00 21.43 H new ATOM 0 HA HIS A 8 -5.390 -34.852 -52.205 1.00 5.40 H new ATOM 0 HB2 HIS A 8 -4.577 -33.164 -50.796 1.00 32.05 H new ATOM 0 HB3 HIS A 8 -3.496 -33.106 -52.174 1.00 32.05 H new ATOM 0 HD2 HIS A 8 -5.631 -30.719 -50.145 1.00 33.13 H new ATOM 0 HE1 HIS A 8 -4.919 -28.745 -53.827 1.00 71.32 H new ATOM 0 HE2 HIS A 8 -5.775 -28.468 -51.451 1.00 14.55 H new ATOM 138 N MET A 9 -7.633 -33.893 -51.557 1.00 14.33 N ATOM 139 CA MET A 9 -8.980 -33.424 -51.240 1.00 10.20 C ATOM 140 C MET A 9 -9.075 -33.133 -49.743 1.00 4.43 C ATOM 141 O MET A 9 -9.256 -34.039 -48.926 1.00 62.05 O ATOM 142 CB MET A 9 -10.051 -34.444 -51.686 1.00 34.12 C ATOM 143 CG MET A 9 -9.781 -35.881 -51.250 1.00 74.25 C ATOM 144 SD MET A 9 -8.293 -36.568 -52.009 1.00 10.14 S ATOM 145 CE MET A 9 -8.281 -38.216 -51.305 1.00 71.55 C ATOM 0 H MET A 9 -7.315 -34.669 -50.976 1.00 14.33 H new ATOM 0 HA MET A 9 -9.174 -32.504 -51.792 1.00 10.20 H new ATOM 0 HB2 MET A 9 -11.017 -34.133 -51.289 1.00 34.12 H new ATOM 0 HB3 MET A 9 -10.129 -34.417 -52.773 1.00 34.12 H new ATOM 0 HG2 MET A 9 -9.680 -35.915 -50.165 1.00 74.25 H new ATOM 0 HG3 MET A 9 -10.638 -36.503 -51.510 1.00 74.25 H new ATOM 0 HE1 MET A 9 -7.418 -38.766 -51.680 1.00 71.55 H new ATOM 0 HE2 MET A 9 -8.223 -38.147 -50.219 1.00 71.55 H new ATOM 0 HE3 MET A 9 -9.195 -38.739 -51.587 1.00 71.55 H new ATOM 155 N GLY A 10 -8.897 -31.862 -49.391 1.00 32.43 N ATOM 156 CA GLY A 10 -8.914 -31.443 -48.000 1.00 33.53 C ATOM 157 C GLY A 10 -9.918 -30.339 -47.766 1.00 23.23 C ATOM 158 O GLY A 10 -9.570 -29.255 -47.300 1.00 62.21 O ATOM 0 H GLY A 10 -8.739 -31.105 -50.056 1.00 32.43 H new ATOM 0 HA2 GLY A 10 -9.155 -32.296 -47.365 1.00 33.53 H new ATOM 0 HA3 GLY A 10 -7.921 -31.100 -47.710 1.00 33.53 H new ATOM 162 N THR A 11 -11.174 -30.617 -48.088 1.00 34.53 N ATOM 163 CA THR A 11 -12.248 -29.642 -47.954 1.00 13.23 C ATOM 164 C THR A 11 -12.819 -29.635 -46.535 1.00 32.22 C ATOM 165 O THR A 11 -13.933 -29.163 -46.305 1.00 32.32 O ATOM 166 CB THR A 11 -13.368 -29.941 -48.979 1.00 72.22 C ATOM 167 OG1 THR A 11 -13.692 -31.341 -48.954 1.00 34.23 O ATOM 168 CG2 THR A 11 -12.944 -29.540 -50.390 1.00 74.25 C ATOM 0 H THR A 11 -11.477 -31.522 -48.448 1.00 34.53 H new ATOM 0 HA THR A 11 -11.834 -28.654 -48.154 1.00 13.23 H new ATOM 0 HB THR A 11 -14.245 -29.355 -48.703 1.00 72.22 H new ATOM 0 HG1 THR A 11 -14.403 -31.524 -49.604 1.00 34.23 H new ATOM 0 HG21 THR A 11 -13.750 -29.762 -51.089 1.00 74.25 H new ATOM 0 HG22 THR A 11 -12.725 -28.472 -50.415 1.00 74.25 H new ATOM 0 HG23 THR A 11 -12.053 -30.099 -50.675 1.00 74.25 H new ATOM 176 N LEU A 12 -12.036 -30.145 -45.582 1.00 71.50 N ATOM 177 CA LEU A 12 -12.443 -30.176 -44.179 1.00 51.12 C ATOM 178 C LEU A 12 -12.521 -28.754 -43.625 1.00 2.41 C ATOM 179 O LEU A 12 -11.502 -28.170 -43.243 1.00 51.53 O ATOM 180 CB LEU A 12 -11.464 -31.017 -43.335 1.00 41.54 C ATOM 181 CG LEU A 12 -11.443 -32.534 -43.619 1.00 1.12 C ATOM 182 CD1 LEU A 12 -10.887 -32.837 -45.007 1.00 2.03 C ATOM 183 CD2 LEU A 12 -10.640 -33.266 -42.546 1.00 4.44 C ATOM 0 H LEU A 12 -11.114 -30.543 -45.759 1.00 71.50 H new ATOM 0 HA LEU A 12 -13.428 -30.640 -44.122 1.00 51.12 H new ATOM 0 HB2 LEU A 12 -10.458 -30.627 -43.488 1.00 41.54 H new ATOM 0 HB3 LEU A 12 -11.706 -30.870 -42.283 1.00 41.54 H new ATOM 0 HG LEU A 12 -12.472 -32.892 -43.592 1.00 1.12 H new ATOM 0 HD11 LEU A 12 -10.887 -33.914 -45.172 1.00 2.03 H new ATOM 0 HD12 LEU A 12 -11.508 -32.354 -45.761 1.00 2.03 H new ATOM 0 HD13 LEU A 12 -9.867 -32.459 -45.081 1.00 2.03 H new ATOM 0 HD21 LEU A 12 -10.635 -34.335 -42.761 1.00 4.44 H new ATOM 0 HD22 LEU A 12 -9.616 -32.892 -42.540 1.00 4.44 H new ATOM 0 HD23 LEU A 12 -11.095 -33.094 -41.571 1.00 4.44 H new ATOM 195 N GLU A 13 -13.726 -28.197 -43.613 1.00 71.43 N ATOM 196 CA GLU A 13 -13.948 -26.848 -43.107 1.00 21.04 C ATOM 197 C GLU A 13 -14.045 -26.857 -41.585 1.00 44.32 C ATOM 198 O GLU A 13 -14.427 -27.864 -40.985 1.00 71.34 O ATOM 199 CB GLU A 13 -15.229 -26.254 -43.706 1.00 3.43 C ATOM 200 CG GLU A 13 -15.248 -26.236 -45.228 1.00 72.42 C ATOM 201 CD GLU A 13 -16.420 -25.446 -45.783 1.00 50.02 C ATOM 202 OE1 GLU A 13 -16.275 -24.221 -45.978 1.00 21.45 O ATOM 203 OE2 GLU A 13 -17.493 -26.039 -46.020 1.00 62.43 O ATOM 0 H GLU A 13 -14.569 -28.662 -43.950 1.00 71.43 H new ATOM 0 HA GLU A 13 -13.100 -26.230 -43.403 1.00 21.04 H new ATOM 0 HB2 GLU A 13 -16.085 -26.827 -43.349 1.00 3.43 H new ATOM 0 HB3 GLU A 13 -15.351 -25.235 -43.339 1.00 3.43 H new ATOM 0 HG2 GLU A 13 -14.317 -25.805 -45.595 1.00 72.42 H new ATOM 0 HG3 GLU A 13 -15.294 -27.259 -45.600 1.00 72.42 H new ATOM 210 N ALA A 14 -13.706 -25.729 -40.970 1.00 72.45 N ATOM 211 CA ALA A 14 -13.758 -25.589 -39.517 1.00 22.35 C ATOM 212 C ALA A 14 -14.325 -24.224 -39.136 1.00 63.12 C ATOM 213 O ALA A 14 -14.308 -23.290 -39.944 1.00 72.22 O ATOM 214 CB ALA A 14 -12.367 -25.786 -38.912 1.00 2.03 C ATOM 0 H ALA A 14 -13.390 -24.892 -41.459 1.00 72.45 H new ATOM 0 HA ALA A 14 -14.417 -26.359 -39.115 1.00 22.35 H new ATOM 0 HB1 ALA A 14 -12.423 -25.679 -37.829 1.00 2.03 H new ATOM 0 HB2 ALA A 14 -12.000 -26.782 -39.159 1.00 2.03 H new ATOM 0 HB3 ALA A 14 -11.685 -25.038 -39.316 1.00 2.03 H new ATOM 220 N GLN A 15 -14.844 -24.124 -37.917 1.00 2.04 N ATOM 221 CA GLN A 15 -15.360 -22.864 -37.389 1.00 24.44 C ATOM 222 C GLN A 15 -14.245 -22.155 -36.611 1.00 22.42 C ATOM 223 O GLN A 15 -13.124 -22.662 -36.529 1.00 65.33 O ATOM 224 CB GLN A 15 -16.582 -23.131 -36.488 1.00 35.54 C ATOM 225 CG GLN A 15 -17.439 -21.898 -36.208 1.00 1.34 C ATOM 226 CD GLN A 15 -18.605 -22.193 -35.280 1.00 30.44 C ATOM 227 OE1 GLN A 15 -18.517 -23.060 -34.412 1.00 73.05 O ATOM 228 NE2 GLN A 15 -19.707 -21.482 -35.459 1.00 13.14 N ATOM 0 H GLN A 15 -14.919 -24.909 -37.270 1.00 2.04 H new ATOM 0 HA GLN A 15 -15.683 -22.221 -38.208 1.00 24.44 H new ATOM 0 HB2 GLN A 15 -17.205 -23.893 -36.957 1.00 35.54 H new ATOM 0 HB3 GLN A 15 -16.236 -23.542 -35.539 1.00 35.54 H new ATOM 0 HG2 GLN A 15 -16.816 -21.120 -35.766 1.00 1.34 H new ATOM 0 HG3 GLN A 15 -17.820 -21.504 -37.150 1.00 1.34 H new ATOM 0 HE21 GLN A 15 -19.742 -20.771 -36.190 1.00 13.14 H new ATOM 0 HE22 GLN A 15 -20.521 -21.645 -34.866 1.00 13.14 H new ATOM 237 N THR A 16 -14.538 -20.988 -36.051 1.00 51.14 N ATOM 238 CA THR A 16 -13.552 -20.240 -35.284 1.00 52.51 C ATOM 239 C THR A 16 -14.176 -19.720 -33.990 1.00 40.13 C ATOM 240 O THR A 16 -15.385 -19.858 -33.779 1.00 51.13 O ATOM 241 CB THR A 16 -12.969 -19.066 -36.110 1.00 11.31 C ATOM 242 OG1 THR A 16 -11.845 -18.491 -35.432 1.00 65.40 O ATOM 243 CG2 THR A 16 -14.019 -17.986 -36.366 1.00 41.52 C ATOM 0 H THR A 16 -15.452 -20.539 -36.114 1.00 51.14 H new ATOM 0 HA THR A 16 -12.732 -20.915 -35.038 1.00 52.51 H new ATOM 0 HB THR A 16 -12.649 -19.468 -37.071 1.00 11.31 H new ATOM 0 HG1 THR A 16 -11.485 -17.752 -35.965 1.00 65.40 H new ATOM 0 HG21 THR A 16 -13.576 -17.178 -36.948 1.00 41.52 H new ATOM 0 HG22 THR A 16 -14.855 -18.415 -36.919 1.00 41.52 H new ATOM 0 HG23 THR A 16 -14.377 -17.594 -35.414 1.00 41.52 H new ATOM 251 N GLN A 17 -13.349 -19.138 -33.125 1.00 32.42 N ATOM 252 CA GLN A 17 -13.814 -18.597 -31.853 1.00 51.23 C ATOM 253 C GLN A 17 -14.648 -17.336 -32.072 1.00 30.41 C ATOM 254 O GLN A 17 -14.461 -16.615 -33.054 1.00 31.24 O ATOM 255 CB GLN A 17 -12.623 -18.294 -30.929 1.00 54.23 C ATOM 256 CG GLN A 17 -11.885 -19.536 -30.439 1.00 74.01 C ATOM 257 CD GLN A 17 -12.766 -20.444 -29.597 1.00 13.51 C ATOM 258 OE1 GLN A 17 -13.432 -21.340 -30.113 1.00 30.33 O ATOM 259 NE2 GLN A 17 -12.786 -20.208 -28.291 1.00 74.31 N ATOM 0 H GLN A 17 -12.347 -19.029 -33.285 1.00 32.42 H new ATOM 0 HA GLN A 17 -14.444 -19.347 -31.376 1.00 51.23 H new ATOM 0 HB2 GLN A 17 -11.920 -17.652 -31.459 1.00 54.23 H new ATOM 0 HB3 GLN A 17 -12.980 -17.732 -30.066 1.00 54.23 H new ATOM 0 HG2 GLN A 17 -11.510 -20.094 -31.297 1.00 74.01 H new ATOM 0 HG3 GLN A 17 -11.018 -19.232 -29.853 1.00 74.01 H new ATOM 0 HE21 GLN A 17 -12.219 -19.455 -27.900 1.00 74.31 H new ATOM 0 HE22 GLN A 17 -13.368 -20.779 -27.678 1.00 74.31 H new ATOM 268 N GLY A 18 -15.571 -17.086 -31.154 1.00 45.01 N ATOM 269 CA GLY A 18 -16.433 -15.924 -31.240 1.00 32.05 C ATOM 270 C GLY A 18 -17.375 -15.850 -30.057 1.00 22.41 C ATOM 271 O GLY A 18 -17.432 -16.789 -29.262 1.00 30.02 O ATOM 0 H GLY A 18 -15.740 -17.677 -30.340 1.00 45.01 H new ATOM 0 HA2 GLY A 18 -15.825 -15.020 -31.281 1.00 32.05 H new ATOM 0 HA3 GLY A 18 -17.009 -15.963 -32.165 1.00 32.05 H new ATOM 275 N PRO A 19 -18.132 -14.748 -29.914 1.00 55.32 N ATOM 276 CA PRO A 19 -19.031 -14.555 -28.772 1.00 11.14 C ATOM 277 C PRO A 19 -20.250 -15.482 -28.826 1.00 0.34 C ATOM 278 O PRO A 19 -21.137 -15.316 -29.669 1.00 64.54 O ATOM 279 CB PRO A 19 -19.450 -13.084 -28.895 1.00 61.35 C ATOM 280 CG PRO A 19 -19.331 -12.778 -30.352 1.00 20.44 C ATOM 281 CD PRO A 19 -18.181 -13.613 -30.860 1.00 71.31 C ATOM 0 HA PRO A 19 -18.548 -14.791 -27.824 1.00 11.14 H new ATOM 0 HB2 PRO A 19 -20.469 -12.931 -28.540 1.00 61.35 H new ATOM 0 HB3 PRO A 19 -18.805 -12.437 -28.300 1.00 61.35 H new ATOM 0 HG2 PRO A 19 -20.253 -13.023 -30.879 1.00 20.44 H new ATOM 0 HG3 PRO A 19 -19.144 -11.716 -30.514 1.00 20.44 H new ATOM 0 HD2 PRO A 19 -18.351 -13.950 -31.882 1.00 71.31 H new ATOM 0 HD3 PRO A 19 -17.247 -13.051 -30.861 1.00 71.31 H new ATOM 289 N GLY A 20 -20.270 -16.470 -27.936 1.00 10.05 N ATOM 290 CA GLY A 20 -21.397 -17.382 -27.834 1.00 74.10 C ATOM 291 C GLY A 20 -21.407 -18.424 -28.936 1.00 65.13 C ATOM 292 O GLY A 20 -21.075 -19.586 -28.703 1.00 74.44 O ATOM 0 H GLY A 20 -19.516 -16.657 -27.275 1.00 10.05 H new ATOM 0 HA2 GLY A 20 -21.368 -17.883 -26.866 1.00 74.10 H new ATOM 0 HA3 GLY A 20 -22.325 -16.812 -27.870 1.00 74.10 H new ATOM 296 N SER A 21 -21.777 -18.003 -30.141 1.00 30.53 N ATOM 297 CA SER A 21 -21.885 -18.911 -31.277 1.00 4.43 C ATOM 298 C SER A 21 -21.821 -18.133 -32.594 1.00 25.13 C ATOM 299 O SER A 21 -22.791 -17.474 -32.984 1.00 5.22 O ATOM 300 CB SER A 21 -23.193 -19.716 -31.188 1.00 44.22 C ATOM 301 OG SER A 21 -23.334 -20.614 -32.280 1.00 33.34 O ATOM 0 H SER A 21 -22.008 -17.033 -30.356 1.00 30.53 H new ATOM 0 HA SER A 21 -21.045 -19.606 -31.250 1.00 4.43 H new ATOM 0 HB2 SER A 21 -23.213 -20.275 -30.252 1.00 44.22 H new ATOM 0 HB3 SER A 21 -24.041 -19.031 -31.168 1.00 44.22 H new ATOM 0 HG SER A 21 -24.175 -21.109 -32.190 1.00 33.34 H new ATOM 307 N PRO A 22 -20.662 -18.161 -33.280 1.00 74.53 N ATOM 308 CA PRO A 22 -20.507 -17.547 -34.600 1.00 53.05 C ATOM 309 C PRO A 22 -21.207 -18.383 -35.677 1.00 14.45 C ATOM 310 O PRO A 22 -20.557 -18.990 -36.532 1.00 2.32 O ATOM 311 CB PRO A 22 -18.976 -17.519 -34.822 1.00 32.50 C ATOM 312 CG PRO A 22 -18.368 -17.947 -33.521 1.00 73.23 C ATOM 313 CD PRO A 22 -19.408 -18.779 -32.825 1.00 50.00 C ATOM 0 HA PRO A 22 -20.954 -16.555 -34.658 1.00 53.05 H new ATOM 0 HB2 PRO A 22 -18.685 -18.191 -35.629 1.00 32.50 H new ATOM 0 HB3 PRO A 22 -18.639 -16.521 -35.101 1.00 32.50 H new ATOM 0 HG2 PRO A 22 -17.457 -18.522 -33.688 1.00 73.23 H new ATOM 0 HG3 PRO A 22 -18.093 -17.082 -32.917 1.00 73.23 H new ATOM 0 HD2 PRO A 22 -19.346 -19.829 -33.110 1.00 50.00 H new ATOM 0 HD3 PRO A 22 -19.304 -18.736 -31.741 1.00 50.00 H new ATOM 321 N GLU A 23 -22.534 -18.422 -35.615 1.00 31.13 N ATOM 322 CA GLU A 23 -23.325 -19.239 -36.529 1.00 2.43 C ATOM 323 C GLU A 23 -24.330 -18.376 -37.282 1.00 50.22 C ATOM 324 O GLU A 23 -25.049 -17.582 -36.674 1.00 63.33 O ATOM 325 CB GLU A 23 -24.059 -20.336 -35.747 1.00 32.34 C ATOM 326 CG GLU A 23 -24.758 -21.359 -36.630 1.00 31.05 C ATOM 327 CD GLU A 23 -23.789 -22.076 -37.555 1.00 11.01 C ATOM 328 OE1 GLU A 23 -22.900 -22.793 -37.045 1.00 31.24 O ATOM 329 OE2 GLU A 23 -23.908 -21.931 -38.792 1.00 72.13 O ATOM 0 H GLU A 23 -23.086 -17.895 -34.938 1.00 31.13 H new ATOM 0 HA GLU A 23 -22.654 -19.702 -37.252 1.00 2.43 H new ATOM 0 HB2 GLU A 23 -23.344 -20.852 -35.106 1.00 32.34 H new ATOM 0 HB3 GLU A 23 -24.796 -19.871 -35.093 1.00 32.34 H new ATOM 0 HG2 GLU A 23 -25.267 -22.090 -36.003 1.00 31.05 H new ATOM 0 HG3 GLU A 23 -25.524 -20.861 -37.224 1.00 31.05 H new ATOM 336 N GLY A 24 -24.368 -18.533 -38.604 1.00 33.14 N ATOM 337 CA GLY A 24 -25.307 -17.785 -39.427 1.00 73.02 C ATOM 338 C GLY A 24 -25.093 -16.287 -39.332 1.00 74.44 C ATOM 339 O GLY A 24 -26.040 -15.504 -39.445 1.00 72.20 O ATOM 0 H GLY A 24 -23.762 -19.169 -39.123 1.00 33.14 H new ATOM 0 HA2 GLY A 24 -25.205 -18.099 -40.466 1.00 73.02 H new ATOM 0 HA3 GLY A 24 -26.325 -18.024 -39.120 1.00 73.02 H new ATOM 343 N VAL A 25 -23.844 -15.894 -39.117 1.00 72.40 N ATOM 344 CA VAL A 25 -23.479 -14.487 -38.980 1.00 22.33 C ATOM 345 C VAL A 25 -22.444 -14.113 -40.040 1.00 61.30 C ATOM 346 O VAL A 25 -21.755 -14.994 -40.563 1.00 30.12 O ATOM 347 CB VAL A 25 -22.910 -14.184 -37.568 1.00 54.23 C ATOM 348 CG1 VAL A 25 -23.964 -14.439 -36.492 1.00 44.42 C ATOM 349 CG2 VAL A 25 -21.647 -15.005 -37.297 1.00 24.31 C ATOM 0 H VAL A 25 -23.057 -16.538 -39.033 1.00 72.40 H new ATOM 0 HA VAL A 25 -24.381 -13.892 -39.119 1.00 22.33 H new ATOM 0 HB VAL A 25 -22.638 -13.129 -37.535 1.00 54.23 H new ATOM 0 HG11 VAL A 25 -23.543 -14.220 -35.511 1.00 44.42 H new ATOM 0 HG12 VAL A 25 -24.827 -13.796 -36.668 1.00 44.42 H new ATOM 0 HG13 VAL A 25 -24.276 -15.483 -36.528 1.00 44.42 H new ATOM 0 HG21 VAL A 25 -21.269 -14.773 -36.301 1.00 24.31 H new ATOM 0 HG22 VAL A 25 -21.884 -16.067 -37.357 1.00 24.31 H new ATOM 0 HG23 VAL A 25 -20.887 -14.760 -38.039 1.00 24.31 H new ATOM 359 N PRO A 26 -22.344 -12.814 -40.394 1.00 53.20 N ATOM 360 CA PRO A 26 -21.339 -12.332 -41.352 1.00 53.23 C ATOM 361 C PRO A 26 -19.921 -12.768 -40.962 1.00 63.22 C ATOM 362 O PRO A 26 -19.390 -12.332 -39.932 1.00 4.41 O ATOM 363 CB PRO A 26 -21.484 -10.805 -41.284 1.00 71.45 C ATOM 364 CG PRO A 26 -22.892 -10.584 -40.846 1.00 61.30 C ATOM 365 CD PRO A 26 -23.212 -11.719 -39.908 1.00 20.30 C ATOM 0 HA PRO A 26 -21.493 -12.735 -42.353 1.00 53.23 H new ATOM 0 HB2 PRO A 26 -20.776 -10.370 -40.579 1.00 71.45 H new ATOM 0 HB3 PRO A 26 -21.293 -10.344 -42.253 1.00 71.45 H new ATOM 0 HG2 PRO A 26 -23.000 -9.621 -40.346 1.00 61.30 H new ATOM 0 HG3 PRO A 26 -23.571 -10.578 -41.699 1.00 61.30 H new ATOM 0 HD2 PRO A 26 -22.992 -11.460 -38.872 1.00 20.30 H new ATOM 0 HD3 PRO A 26 -24.266 -11.992 -39.951 1.00 20.30 H new ATOM 373 N PRO A 27 -19.295 -13.648 -41.769 1.00 22.12 N ATOM 374 CA PRO A 27 -17.975 -14.207 -41.456 1.00 12.14 C ATOM 375 C PRO A 27 -16.877 -13.142 -41.480 1.00 32.44 C ATOM 376 O PRO A 27 -16.203 -12.940 -42.493 1.00 51.44 O ATOM 377 CB PRO A 27 -17.754 -15.258 -42.556 1.00 2.02 C ATOM 378 CG PRO A 27 -18.616 -14.806 -43.688 1.00 33.14 C ATOM 379 CD PRO A 27 -19.821 -14.162 -43.053 1.00 24.33 C ATOM 0 HA PRO A 27 -17.934 -14.626 -40.451 1.00 12.14 H new ATOM 0 HB2 PRO A 27 -16.706 -15.308 -42.851 1.00 2.02 H new ATOM 0 HB3 PRO A 27 -18.037 -16.254 -42.215 1.00 2.02 H new ATOM 0 HG2 PRO A 27 -18.085 -14.099 -44.326 1.00 33.14 H new ATOM 0 HG3 PRO A 27 -18.908 -15.647 -44.317 1.00 33.14 H new ATOM 0 HD2 PRO A 27 -20.222 -13.360 -43.673 1.00 24.33 H new ATOM 0 HD3 PRO A 27 -20.627 -14.880 -42.899 1.00 24.33 H new ATOM 387 N THR A 28 -16.728 -12.447 -40.359 1.00 45.53 N ATOM 388 CA THR A 28 -15.701 -11.429 -40.194 1.00 23.35 C ATOM 389 C THR A 28 -14.835 -11.760 -38.983 1.00 32.41 C ATOM 390 O THR A 28 -15.335 -12.257 -37.974 1.00 52.34 O ATOM 391 CB THR A 28 -16.330 -10.024 -40.023 1.00 42.45 C ATOM 392 OG1 THR A 28 -17.371 -10.067 -39.030 1.00 3.44 O ATOM 393 CG2 THR A 28 -16.903 -9.513 -41.343 1.00 14.13 C ATOM 0 H THR A 28 -17.318 -12.575 -39.537 1.00 45.53 H new ATOM 0 HA THR A 28 -15.083 -11.418 -41.092 1.00 23.35 H new ATOM 0 HB THR A 28 -15.545 -9.341 -39.700 1.00 42.45 H new ATOM 0 HG1 THR A 28 -17.762 -9.174 -38.927 1.00 3.44 H new ATOM 0 HG21 THR A 28 -17.338 -8.525 -41.193 1.00 14.13 H new ATOM 0 HG22 THR A 28 -16.107 -9.450 -42.085 1.00 14.13 H new ATOM 0 HG23 THR A 28 -17.674 -10.199 -41.695 1.00 14.13 H new ATOM 401 N ASP A 29 -13.540 -11.480 -39.083 1.00 43.22 N ATOM 402 CA ASP A 29 -12.592 -11.785 -38.008 1.00 33.15 C ATOM 403 C ASP A 29 -12.477 -10.603 -37.054 1.00 10.15 C ATOM 404 O ASP A 29 -11.508 -10.483 -36.302 1.00 40.43 O ATOM 405 CB ASP A 29 -11.213 -12.121 -38.589 1.00 41.45 C ATOM 406 CG ASP A 29 -11.242 -13.320 -39.520 1.00 41.33 C ATOM 407 OD1 ASP A 29 -11.446 -13.127 -40.741 1.00 72.33 O ATOM 408 OD2 ASP A 29 -11.045 -14.459 -39.047 1.00 53.41 O ATOM 0 H ASP A 29 -13.117 -11.040 -39.900 1.00 43.22 H new ATOM 0 HA ASP A 29 -12.963 -12.650 -37.458 1.00 33.15 H new ATOM 0 HB2 ASP A 29 -10.832 -11.255 -39.131 1.00 41.45 H new ATOM 0 HB3 ASP A 29 -10.518 -12.318 -37.773 1.00 41.45 H new ATOM 413 N ARG A 30 -13.469 -9.725 -37.102 1.00 41.34 N ATOM 414 CA ARG A 30 -13.526 -8.572 -36.220 1.00 50.12 C ATOM 415 C ARG A 30 -14.096 -9.008 -34.872 1.00 1.41 C ATOM 416 O ARG A 30 -15.298 -9.252 -34.743 1.00 73.43 O ATOM 417 CB ARG A 30 -14.380 -7.465 -36.872 1.00 54.12 C ATOM 418 CG ARG A 30 -14.330 -6.098 -36.180 1.00 21.54 C ATOM 419 CD ARG A 30 -15.157 -6.055 -34.900 1.00 40.24 C ATOM 420 NE ARG A 30 -16.499 -6.605 -35.106 1.00 70.52 N ATOM 421 CZ ARG A 30 -17.614 -6.076 -34.616 1.00 52.34 C ATOM 422 NH1 ARG A 30 -17.570 -4.949 -33.918 1.00 32.25 N ATOM 423 NH2 ARG A 30 -18.779 -6.671 -34.844 1.00 22.53 N ATOM 0 H ARG A 30 -14.253 -9.793 -37.751 1.00 41.34 H new ATOM 0 HA ARG A 30 -12.528 -8.166 -36.055 1.00 50.12 H new ATOM 0 HB2 ARG A 30 -14.056 -7.342 -37.905 1.00 54.12 H new ATOM 0 HB3 ARG A 30 -15.417 -7.800 -36.901 1.00 54.12 H new ATOM 0 HG2 ARG A 30 -13.294 -5.851 -35.947 1.00 21.54 H new ATOM 0 HG3 ARG A 30 -14.693 -5.334 -36.868 1.00 21.54 H new ATOM 0 HD2 ARG A 30 -14.648 -6.619 -34.118 1.00 40.24 H new ATOM 0 HD3 ARG A 30 -15.235 -5.025 -34.551 1.00 40.24 H new ATOM 0 HE ARG A 30 -16.583 -7.454 -35.665 1.00 70.52 H new ATOM 0 HH11 ARG A 30 -16.677 -4.484 -33.755 1.00 32.25 H new ATOM 0 HH12 ARG A 30 -18.430 -4.547 -33.544 1.00 32.25 H new ATOM 0 HH21 ARG A 30 -18.814 -7.530 -35.393 1.00 22.53 H new ATOM 0 HH22 ARG A 30 -19.639 -6.269 -34.470 1.00 22.53 H new ATOM 437 N PHE A 31 -13.216 -9.129 -33.884 1.00 5.02 N ATOM 438 CA PHE A 31 -13.598 -9.560 -32.544 1.00 30.21 C ATOM 439 C PHE A 31 -14.443 -8.489 -31.848 1.00 11.12 C ATOM 440 O PHE A 31 -14.308 -7.302 -32.145 1.00 60.42 O ATOM 441 CB PHE A 31 -12.341 -9.870 -31.714 1.00 54.15 C ATOM 442 CG PHE A 31 -11.498 -10.984 -32.290 1.00 41.22 C ATOM 443 CD1 PHE A 31 -11.754 -12.311 -31.957 1.00 64.33 C ATOM 444 CD2 PHE A 31 -10.454 -10.710 -33.164 1.00 24.24 C ATOM 445 CE1 PHE A 31 -10.988 -13.334 -32.484 1.00 34.10 C ATOM 446 CE2 PHE A 31 -9.686 -11.733 -33.692 1.00 62.10 C ATOM 447 CZ PHE A 31 -9.953 -13.044 -33.351 1.00 23.03 C ATOM 0 H PHE A 31 -12.221 -8.932 -33.989 1.00 5.02 H new ATOM 0 HA PHE A 31 -14.200 -10.465 -32.630 1.00 30.21 H new ATOM 0 HB2 PHE A 31 -11.734 -8.968 -31.638 1.00 54.15 H new ATOM 0 HB3 PHE A 31 -12.641 -10.139 -30.701 1.00 54.15 H new ATOM 0 HD1 PHE A 31 -12.561 -12.544 -31.278 1.00 64.33 H new ATOM 0 HD2 PHE A 31 -10.239 -9.687 -33.435 1.00 24.24 H new ATOM 0 HE1 PHE A 31 -11.199 -14.359 -32.218 1.00 34.10 H new ATOM 0 HE2 PHE A 31 -8.877 -11.506 -34.371 1.00 62.10 H new ATOM 0 HZ PHE A 31 -9.353 -13.842 -33.762 1.00 23.03 H new ATOM 457 N PRO A 32 -15.331 -8.899 -30.915 1.00 23.40 N ATOM 458 CA PRO A 32 -16.203 -7.965 -30.183 1.00 61.21 C ATOM 459 C PRO A 32 -15.404 -6.946 -29.364 1.00 12.12 C ATOM 460 O PRO A 32 -15.890 -5.850 -29.066 1.00 45.31 O ATOM 461 CB PRO A 32 -17.028 -8.885 -29.262 1.00 34.33 C ATOM 462 CG PRO A 32 -16.240 -10.150 -29.173 1.00 12.11 C ATOM 463 CD PRO A 32 -15.563 -10.300 -30.507 1.00 51.11 C ATOM 0 HA PRO A 32 -16.816 -7.365 -30.856 1.00 61.21 H new ATOM 0 HB2 PRO A 32 -17.167 -8.437 -28.278 1.00 34.33 H new ATOM 0 HB3 PRO A 32 -18.021 -9.067 -29.673 1.00 34.33 H new ATOM 0 HG2 PRO A 32 -15.509 -10.100 -28.366 1.00 12.11 H new ATOM 0 HG3 PRO A 32 -16.888 -11.001 -28.964 1.00 12.11 H new ATOM 0 HD2 PRO A 32 -14.630 -10.858 -30.427 1.00 51.11 H new ATOM 0 HD3 PRO A 32 -16.191 -10.831 -31.222 1.00 51.11 H new ATOM 471 N LEU A 33 -14.182 -7.324 -28.992 1.00 21.14 N ATOM 472 CA LEU A 33 -13.266 -6.433 -28.278 1.00 43.40 C ATOM 473 C LEU A 33 -12.035 -6.164 -29.142 1.00 31.24 C ATOM 474 O LEU A 33 -11.542 -7.068 -29.817 1.00 3.30 O ATOM 475 CB LEU A 33 -12.824 -7.031 -26.925 1.00 65.01 C ATOM 476 CG LEU A 33 -13.906 -7.143 -25.831 1.00 10.43 C ATOM 477 CD1 LEU A 33 -14.617 -5.808 -25.625 1.00 12.42 C ATOM 478 CD2 LEU A 33 -14.899 -8.259 -26.147 1.00 72.02 C ATOM 0 H LEU A 33 -13.799 -8.252 -29.175 1.00 21.14 H new ATOM 0 HA LEU A 33 -13.796 -5.502 -28.077 1.00 43.40 H new ATOM 0 HB2 LEU A 33 -12.421 -8.027 -27.108 1.00 65.01 H new ATOM 0 HB3 LEU A 33 -12.007 -6.424 -26.535 1.00 65.01 H new ATOM 0 HG LEU A 33 -13.409 -7.402 -24.896 1.00 10.43 H new ATOM 0 HD11 LEU A 33 -15.375 -5.915 -24.849 1.00 12.42 H new ATOM 0 HD12 LEU A 33 -13.892 -5.052 -25.323 1.00 12.42 H new ATOM 0 HD13 LEU A 33 -15.093 -5.502 -26.557 1.00 12.42 H new ATOM 0 HD21 LEU A 33 -15.649 -8.313 -25.358 1.00 72.02 H new ATOM 0 HD22 LEU A 33 -15.388 -8.052 -27.099 1.00 72.02 H new ATOM 0 HD23 LEU A 33 -14.370 -9.210 -26.210 1.00 72.02 H new ATOM 490 N LEU A 34 -11.549 -4.926 -29.118 1.00 14.54 N ATOM 491 CA LEU A 34 -10.359 -4.543 -29.878 1.00 1.15 C ATOM 492 C LEU A 34 -9.111 -4.697 -29.012 1.00 23.24 C ATOM 493 O LEU A 34 -7.997 -4.869 -29.519 1.00 75.43 O ATOM 494 CB LEU A 34 -10.481 -3.094 -30.390 1.00 54.33 C ATOM 495 CG LEU A 34 -11.609 -2.828 -31.409 1.00 63.34 C ATOM 496 CD1 LEU A 34 -11.526 -3.804 -32.578 1.00 52.15 C ATOM 497 CD2 LEU A 34 -12.985 -2.882 -30.746 1.00 55.35 C ATOM 0 H LEU A 34 -11.962 -4.166 -28.578 1.00 14.54 H new ATOM 0 HA LEU A 34 -10.273 -5.203 -30.741 1.00 1.15 H new ATOM 0 HB2 LEU A 34 -10.632 -2.438 -29.532 1.00 54.33 H new ATOM 0 HB3 LEU A 34 -9.533 -2.810 -30.846 1.00 54.33 H new ATOM 0 HG LEU A 34 -11.472 -1.819 -31.799 1.00 63.34 H new ATOM 0 HD11 LEU A 34 -12.331 -3.597 -33.283 1.00 52.15 H new ATOM 0 HD12 LEU A 34 -10.566 -3.689 -33.080 1.00 52.15 H new ATOM 0 HD13 LEU A 34 -11.622 -4.825 -32.207 1.00 52.15 H new ATOM 0 HD21 LEU A 34 -13.756 -2.690 -31.492 1.00 55.35 H new ATOM 0 HD22 LEU A 34 -13.140 -3.869 -30.309 1.00 55.35 H new ATOM 0 HD23 LEU A 34 -13.042 -2.126 -29.963 1.00 55.35 H new ATOM 509 N ALA A 35 -9.308 -4.643 -27.697 1.00 40.20 N ATOM 510 CA ALA A 35 -8.223 -4.828 -26.740 1.00 32.23 C ATOM 511 C ALA A 35 -8.228 -6.261 -26.212 1.00 54.11 C ATOM 512 O ALA A 35 -8.802 -6.545 -25.159 1.00 20.41 O ATOM 513 CB ALA A 35 -8.338 -3.827 -25.592 1.00 0.34 C ATOM 0 H ALA A 35 -10.217 -4.471 -27.268 1.00 40.20 H new ATOM 0 HA ALA A 35 -7.276 -4.648 -27.248 1.00 32.23 H new ATOM 0 HB1 ALA A 35 -7.519 -3.983 -24.890 1.00 0.34 H new ATOM 0 HB2 ALA A 35 -8.289 -2.812 -25.988 1.00 0.34 H new ATOM 0 HB3 ALA A 35 -9.288 -3.970 -25.078 1.00 0.34 H new ATOM 519 N LEU A 36 -7.621 -7.171 -26.973 1.00 11.44 N ATOM 520 CA LEU A 36 -7.591 -8.588 -26.608 1.00 70.21 C ATOM 521 C LEU A 36 -6.479 -8.864 -25.601 1.00 54.41 C ATOM 522 O LEU A 36 -6.622 -9.715 -24.721 1.00 32.22 O ATOM 523 CB LEU A 36 -7.393 -9.482 -27.849 1.00 21.24 C ATOM 524 CG LEU A 36 -8.533 -9.461 -28.889 1.00 12.54 C ATOM 525 CD1 LEU A 36 -8.546 -8.152 -29.668 1.00 32.02 C ATOM 526 CD2 LEU A 36 -8.416 -10.647 -29.845 1.00 4.31 C ATOM 0 H LEU A 36 -7.143 -6.953 -27.847 1.00 11.44 H new ATOM 0 HA LEU A 36 -8.553 -8.827 -26.155 1.00 70.21 H new ATOM 0 HB2 LEU A 36 -6.470 -9.181 -28.345 1.00 21.24 H new ATOM 0 HB3 LEU A 36 -7.254 -10.510 -27.513 1.00 21.24 H new ATOM 0 HG LEU A 36 -9.476 -9.542 -28.348 1.00 12.54 H new ATOM 0 HD11 LEU A 36 -9.360 -8.168 -30.393 1.00 32.02 H new ATOM 0 HD12 LEU A 36 -8.690 -7.320 -28.979 1.00 32.02 H new ATOM 0 HD13 LEU A 36 -7.597 -8.030 -30.191 1.00 32.02 H new ATOM 0 HD21 LEU A 36 -9.230 -10.612 -30.569 1.00 4.31 H new ATOM 0 HD22 LEU A 36 -7.461 -10.599 -30.369 1.00 4.31 H new ATOM 0 HD23 LEU A 36 -8.473 -11.577 -29.280 1.00 4.31 H new ATOM 538 N LEU A 37 -5.373 -8.135 -25.728 1.00 13.52 N ATOM 539 CA LEU A 37 -4.211 -8.356 -24.876 1.00 21.25 C ATOM 540 C LEU A 37 -4.438 -7.759 -23.489 1.00 14.11 C ATOM 541 O LEU A 37 -3.947 -6.674 -23.170 1.00 53.31 O ATOM 542 CB LEU A 37 -2.931 -7.782 -25.512 1.00 71.04 C ATOM 543 CG LEU A 37 -2.431 -8.495 -26.783 1.00 45.01 C ATOM 544 CD1 LEU A 37 -2.250 -9.991 -26.531 1.00 73.25 C ATOM 545 CD2 LEU A 37 -3.369 -8.253 -27.967 1.00 10.31 C ATOM 0 H LEU A 37 -5.258 -7.387 -26.412 1.00 13.52 H new ATOM 0 HA LEU A 37 -4.076 -9.433 -24.771 1.00 21.25 H new ATOM 0 HB2 LEU A 37 -3.107 -6.734 -25.753 1.00 71.04 H new ATOM 0 HB3 LEU A 37 -2.135 -7.809 -24.767 1.00 71.04 H new ATOM 0 HG LEU A 37 -1.460 -8.071 -27.039 1.00 45.01 H new ATOM 0 HD11 LEU A 37 -1.896 -10.473 -27.442 1.00 73.25 H new ATOM 0 HD12 LEU A 37 -1.520 -10.140 -25.735 1.00 73.25 H new ATOM 0 HD13 LEU A 37 -3.204 -10.428 -26.236 1.00 73.25 H new ATOM 0 HD21 LEU A 37 -2.986 -8.770 -28.846 1.00 10.31 H new ATOM 0 HD22 LEU A 37 -4.363 -8.632 -27.727 1.00 10.31 H new ATOM 0 HD23 LEU A 37 -3.428 -7.184 -28.172 1.00 10.31 H new ATOM 557 N ARG A 38 -5.238 -8.454 -22.694 1.00 2.14 N ATOM 558 CA ARG A 38 -5.492 -8.082 -21.309 1.00 45.54 C ATOM 559 C ARG A 38 -4.782 -9.070 -20.390 1.00 2.05 C ATOM 560 O ARG A 38 -3.998 -9.902 -20.851 1.00 21.04 O ATOM 561 CB ARG A 38 -7.002 -8.108 -21.016 1.00 41.41 C ATOM 562 CG ARG A 38 -7.852 -7.193 -21.900 1.00 14.00 C ATOM 563 CD ARG A 38 -7.515 -5.712 -21.722 1.00 71.31 C ATOM 564 NE ARG A 38 -6.444 -5.270 -22.618 1.00 2.14 N ATOM 565 CZ ARG A 38 -6.091 -3.996 -22.789 1.00 52.02 C ATOM 566 NH1 ARG A 38 -6.640 -3.041 -22.047 1.00 34.34 N ATOM 567 NH2 ARG A 38 -5.176 -3.679 -23.692 1.00 41.24 N ATOM 0 H ARG A 38 -5.732 -9.295 -22.992 1.00 2.14 H new ATOM 0 HA ARG A 38 -5.118 -7.073 -21.136 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -7.360 -9.131 -21.129 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -7.159 -7.828 -19.974 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -7.709 -7.470 -22.944 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -8.906 -7.351 -21.670 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -8.408 -5.115 -21.906 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -7.218 -5.532 -20.689 1.00 71.31 H new ATOM 0 HE ARG A 38 -5.937 -5.981 -23.144 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -7.336 -3.280 -21.341 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -6.365 -2.068 -22.183 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -4.742 -4.409 -24.256 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -4.905 -2.704 -23.823 1.00 41.24 H new ATOM 581 N ARG A 39 -5.051 -8.974 -19.095 1.00 13.43 N ATOM 582 CA ARG A 39 -4.576 -9.969 -18.134 1.00 31.22 C ATOM 583 C ARG A 39 -5.700 -10.316 -17.165 1.00 12.54 C ATOM 584 O ARG A 39 -5.471 -10.691 -16.017 1.00 64.51 O ATOM 585 CB ARG A 39 -3.343 -9.471 -17.374 1.00 71.22 C ATOM 586 CG ARG A 39 -3.587 -8.230 -16.525 1.00 25.23 C ATOM 587 CD ARG A 39 -2.460 -8.022 -15.526 1.00 12.21 C ATOM 588 NE ARG A 39 -2.658 -6.825 -14.709 1.00 64.14 N ATOM 589 CZ ARG A 39 -3.135 -6.830 -13.462 1.00 40.21 C ATOM 590 NH1 ARG A 39 -3.500 -7.974 -12.886 1.00 72.51 N ATOM 591 NH2 ARG A 39 -3.249 -5.690 -12.795 1.00 72.23 N ATOM 0 H ARG A 39 -5.596 -8.217 -18.682 1.00 13.43 H new ATOM 0 HA ARG A 39 -4.280 -10.864 -18.681 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -2.980 -10.272 -16.730 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -2.551 -9.256 -18.091 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -3.672 -7.355 -17.170 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -4.534 -8.329 -15.995 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -2.387 -8.895 -14.877 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -1.513 -7.942 -16.061 1.00 12.21 H new ATOM 0 HE ARG A 39 -2.415 -5.924 -15.121 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -3.416 -8.852 -13.398 1.00 72.51 H new ATOM 0 HH12 ARG A 39 -3.864 -7.972 -11.933 1.00 72.51 H new ATOM 0 HH21 ARG A 39 -2.973 -4.812 -13.235 1.00 72.23 H new ATOM 0 HH22 ARG A 39 -3.613 -5.691 -11.842 1.00 72.23 H new ATOM 605 N THR A 40 -6.917 -10.177 -17.657 1.00 21.32 N ATOM 606 CA THR A 40 -8.116 -10.503 -16.898 1.00 31.44 C ATOM 607 C THR A 40 -8.543 -11.945 -17.181 1.00 32.23 C ATOM 608 O THR A 40 -7.970 -12.604 -18.050 1.00 70.14 O ATOM 609 CB THR A 40 -9.263 -9.531 -17.256 1.00 25.32 C ATOM 610 OG1 THR A 40 -9.378 -9.420 -18.682 1.00 2.42 O ATOM 611 CG2 THR A 40 -9.021 -8.149 -16.658 1.00 5.33 C ATOM 0 H THR A 40 -7.105 -9.833 -18.599 1.00 21.32 H new ATOM 0 HA THR A 40 -7.892 -10.402 -15.836 1.00 31.44 H new ATOM 0 HB THR A 40 -10.188 -9.930 -16.839 1.00 25.32 H new ATOM 0 HG1 THR A 40 -10.107 -8.804 -18.904 1.00 2.42 H new ATOM 0 HG21 THR A 40 -9.844 -7.487 -16.927 1.00 5.33 H new ATOM 0 HG22 THR A 40 -8.958 -8.228 -15.573 1.00 5.33 H new ATOM 0 HG23 THR A 40 -8.087 -7.743 -17.047 1.00 5.33 H new ATOM 619 N LEU A 41 -9.553 -12.429 -16.460 1.00 51.33 N ATOM 620 CA LEU A 41 -10.024 -13.802 -16.620 1.00 34.14 C ATOM 621 C LEU A 41 -11.523 -13.827 -16.926 1.00 43.22 C ATOM 622 O LEU A 41 -12.349 -13.667 -16.022 1.00 22.33 O ATOM 623 CB LEU A 41 -9.731 -14.627 -15.344 1.00 61.14 C ATOM 624 CG LEU A 41 -8.963 -15.942 -15.564 1.00 40.42 C ATOM 625 CD1 LEU A 41 -7.585 -15.667 -16.158 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.844 -16.724 -14.258 1.00 50.44 C ATOM 0 H LEU A 41 -10.061 -11.889 -15.759 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.490 -14.248 -17.459 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.161 -14.005 -14.654 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.678 -14.858 -14.857 1.00 61.14 H new ATOM 0 HG LEU A 41 -9.524 -16.551 -16.273 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -7.058 -16.610 -16.306 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -7.697 -15.159 -17.116 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -7.015 -15.035 -15.477 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -8.298 -17.650 -14.437 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -8.309 -16.124 -13.522 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -9.840 -16.957 -13.882 1.00 50.44 H new ATOM 638 N THR A 42 -11.874 -14.008 -18.198 1.00 31.45 N ATOM 639 CA THR A 42 -13.267 -14.229 -18.568 1.00 23.21 C ATOM 640 C THR A 42 -13.677 -15.616 -18.084 1.00 63.23 C ATOM 641 O THR A 42 -12.810 -16.445 -17.780 1.00 44.05 O ATOM 642 CB THR A 42 -13.504 -14.098 -20.097 1.00 20.41 C ATOM 643 OG1 THR A 42 -14.865 -14.423 -20.417 1.00 73.40 O ATOM 644 CG2 THR A 42 -12.565 -14.996 -20.890 1.00 34.51 C ATOM 0 H THR A 42 -11.220 -14.006 -18.981 1.00 31.45 H new ATOM 0 HA THR A 42 -13.877 -13.459 -18.095 1.00 23.21 H new ATOM 0 HB THR A 42 -13.299 -13.064 -20.373 1.00 20.41 H new ATOM 0 HG1 THR A 42 -14.898 -14.874 -21.287 1.00 73.40 H new ATOM 0 HG21 THR A 42 -12.761 -14.877 -21.956 1.00 34.51 H new ATOM 0 HG22 THR A 42 -11.532 -14.720 -20.678 1.00 34.51 H new ATOM 0 HG23 THR A 42 -12.729 -16.035 -20.605 1.00 34.51 H new ATOM 652 N GLU A 43 -14.976 -15.881 -18.005 1.00 15.15 N ATOM 653 CA GLU A 43 -15.445 -17.135 -17.432 1.00 71.31 C ATOM 654 C GLU A 43 -14.860 -18.313 -18.197 1.00 12.12 C ATOM 655 O GLU A 43 -14.565 -19.345 -17.608 1.00 32.21 O ATOM 656 CB GLU A 43 -16.970 -17.214 -17.402 1.00 43.41 C ATOM 657 CG GLU A 43 -17.477 -18.266 -16.417 1.00 4.44 C ATOM 658 CD GLU A 43 -18.980 -18.238 -16.230 1.00 44.01 C ATOM 659 OE1 GLU A 43 -19.549 -17.135 -16.090 1.00 20.13 O ATOM 660 OE2 GLU A 43 -19.594 -19.316 -16.222 1.00 43.34 O ATOM 0 H GLU A 43 -15.713 -15.254 -18.326 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.101 -17.176 -16.399 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.377 -16.240 -17.131 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.339 -17.447 -18.401 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -17.180 -19.255 -16.767 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -16.995 -18.112 -15.452 1.00 4.44 H new ATOM 667 N GLU A 44 -14.635 -18.123 -19.495 1.00 24.15 N ATOM 668 CA GLU A 44 -14.053 -19.158 -20.340 1.00 42.15 C ATOM 669 C GLU A 44 -12.712 -19.590 -19.755 1.00 51.42 C ATOM 670 O GLU A 44 -12.422 -20.781 -19.610 1.00 31.32 O ATOM 671 CB GLU A 44 -13.845 -18.609 -21.753 1.00 42.11 C ATOM 672 CG GLU A 44 -15.103 -18.009 -22.378 1.00 54.42 C ATOM 673 CD GLU A 44 -14.788 -17.139 -23.584 1.00 75.51 C ATOM 674 OE1 GLU A 44 -14.730 -17.670 -24.716 1.00 0.14 O ATOM 675 OE2 GLU A 44 -14.567 -15.923 -23.395 1.00 13.55 O ATOM 0 H GLU A 44 -14.849 -17.255 -19.985 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.725 -20.015 -20.383 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -13.067 -17.846 -21.724 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -13.481 -19.412 -22.394 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -15.776 -18.812 -22.678 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -15.629 -17.415 -21.631 1.00 54.42 H new ATOM 682 N GLN A 45 -11.919 -18.591 -19.381 1.00 31.04 N ATOM 683 CA GLN A 45 -10.594 -18.816 -18.829 1.00 14.15 C ATOM 684 C GLN A 45 -10.691 -19.470 -17.460 1.00 53.01 C ATOM 685 O GLN A 45 -9.917 -20.357 -17.139 1.00 14.13 O ATOM 686 CB GLN A 45 -9.832 -17.497 -18.734 1.00 51.21 C ATOM 687 CG GLN A 45 -9.717 -16.778 -20.067 1.00 30.54 C ATOM 688 CD GLN A 45 -8.866 -15.525 -19.980 1.00 41.25 C ATOM 689 OE1 GLN A 45 -9.379 -14.434 -19.735 1.00 64.40 O ATOM 690 NE2 GLN A 45 -7.565 -15.675 -20.168 1.00 1.34 N ATOM 0 H GLN A 45 -12.178 -17.607 -19.453 1.00 31.04 H new ATOM 0 HA GLN A 45 -10.051 -19.488 -19.494 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.333 -16.845 -18.019 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -8.832 -17.689 -18.344 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -9.287 -17.455 -20.805 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -10.713 -16.513 -20.420 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -7.182 -16.599 -20.369 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -6.945 -14.867 -20.112 1.00 1.34 H new ATOM 699 N VAL A 46 -11.665 -19.040 -16.664 1.00 64.44 N ATOM 700 CA VAL A 46 -11.874 -19.621 -15.341 1.00 2.55 C ATOM 701 C VAL A 46 -12.217 -21.109 -15.476 1.00 12.42 C ATOM 702 O VAL A 46 -11.749 -21.955 -14.702 1.00 73.15 O ATOM 703 CB VAL A 46 -13.006 -18.886 -14.576 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.161 -19.437 -13.162 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.750 -17.380 -14.541 1.00 15.10 C ATOM 0 H VAL A 46 -12.318 -18.296 -16.909 1.00 64.44 H new ATOM 0 HA VAL A 46 -10.952 -19.508 -14.771 1.00 2.55 H new ATOM 0 HB VAL A 46 -13.939 -19.063 -15.112 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -13.961 -18.903 -12.649 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.405 -20.498 -13.210 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.228 -19.304 -12.615 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.557 -16.886 -13.999 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -11.803 -17.184 -14.039 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.708 -16.994 -15.560 1.00 15.10 H new ATOM 715 N GLN A 47 -13.009 -21.411 -16.499 1.00 74.22 N ATOM 716 CA GLN A 47 -13.425 -22.775 -16.798 1.00 73.34 C ATOM 717 C GLN A 47 -12.248 -23.593 -17.317 1.00 25.01 C ATOM 718 O GLN A 47 -12.160 -24.788 -17.054 1.00 54.32 O ATOM 719 CB GLN A 47 -14.556 -22.763 -17.831 1.00 71.34 C ATOM 720 CG GLN A 47 -15.776 -21.957 -17.397 1.00 23.23 C ATOM 721 CD GLN A 47 -16.603 -22.629 -16.314 1.00 21.44 C ATOM 722 OE1 GLN A 47 -16.088 -23.370 -15.478 1.00 4.54 O ATOM 723 NE2 GLN A 47 -17.898 -22.363 -16.319 1.00 3.44 N ATOM 0 H GLN A 47 -13.381 -20.715 -17.145 1.00 74.22 H new ATOM 0 HA GLN A 47 -13.787 -23.237 -15.880 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.176 -22.354 -18.767 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -14.863 -23.789 -18.032 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.446 -20.982 -17.037 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -16.409 -21.778 -18.266 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -18.289 -21.743 -17.029 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -18.506 -22.777 -15.613 1.00 3.44 H new ATOM 732 N GLU A 48 -11.352 -22.951 -18.064 1.00 35.04 N ATOM 733 CA GLU A 48 -10.147 -23.622 -18.548 1.00 64.51 C ATOM 734 C GLU A 48 -9.227 -23.928 -17.365 1.00 55.04 C ATOM 735 O GLU A 48 -8.669 -25.033 -17.253 1.00 73.40 O ATOM 736 CB GLU A 48 -9.438 -22.761 -19.615 1.00 43.20 C ATOM 737 CG GLU A 48 -8.220 -21.978 -19.129 1.00 42.23 C ATOM 738 CD GLU A 48 -7.560 -21.179 -20.239 1.00 41.42 C ATOM 739 OE1 GLU A 48 -8.177 -20.209 -20.734 1.00 52.21 O ATOM 740 OE2 GLU A 48 -6.430 -21.527 -20.646 1.00 51.14 O ATOM 0 H GLU A 48 -11.436 -21.974 -18.346 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.420 -24.564 -19.024 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -9.127 -23.411 -20.433 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -10.161 -22.056 -20.026 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -8.523 -21.302 -18.330 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.494 -22.670 -18.703 1.00 42.23 H new ATOM 747 N VAL A 49 -9.111 -22.945 -16.468 1.00 34.21 N ATOM 748 CA VAL A 49 -8.345 -23.106 -15.235 1.00 32.22 C ATOM 749 C VAL A 49 -8.816 -24.346 -14.495 1.00 34.13 C ATOM 750 O VAL A 49 -8.027 -25.239 -14.205 1.00 25.13 O ATOM 751 CB VAL A 49 -8.489 -21.881 -14.283 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.799 -22.146 -12.945 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.935 -20.615 -14.919 1.00 71.11 C ATOM 0 H VAL A 49 -9.541 -22.026 -16.576 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.297 -23.196 -15.522 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.554 -21.732 -14.103 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.914 -21.276 -12.298 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -8.252 -23.015 -12.468 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.739 -22.336 -13.114 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -8.051 -19.780 -14.228 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.878 -20.754 -15.145 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.478 -20.403 -15.840 1.00 71.11 H new ATOM 763 N VAL A 50 -10.117 -24.409 -14.223 1.00 60.22 N ATOM 764 CA VAL A 50 -10.691 -25.546 -13.511 1.00 11.40 C ATOM 765 C VAL A 50 -10.695 -26.809 -14.371 1.00 72.34 C ATOM 766 O VAL A 50 -10.632 -27.918 -13.841 1.00 53.42 O ATOM 767 CB VAL A 50 -12.118 -25.248 -12.994 1.00 41.25 C ATOM 768 CG1 VAL A 50 -12.076 -24.148 -11.938 1.00 15.52 C ATOM 769 CG2 VAL A 50 -13.045 -24.864 -14.133 1.00 15.52 C ATOM 0 H VAL A 50 -10.791 -23.689 -14.484 1.00 60.22 H new ATOM 0 HA VAL A 50 -10.050 -25.721 -12.647 1.00 11.40 H new ATOM 0 HB VAL A 50 -12.512 -26.156 -12.538 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -13.086 -23.947 -11.582 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -11.454 -24.469 -11.103 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -11.658 -23.241 -12.374 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -14.041 -24.660 -13.739 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -12.662 -23.972 -14.629 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -13.099 -25.683 -14.850 1.00 15.52 H new ATOM 779 N ALA A 51 -10.751 -26.643 -15.691 1.00 31.45 N ATOM 780 CA ALA A 51 -10.695 -27.779 -16.609 1.00 42.34 C ATOM 781 C ALA A 51 -9.405 -28.562 -16.394 1.00 31.41 C ATOM 782 O ALA A 51 -9.418 -29.789 -16.304 1.00 25.24 O ATOM 783 CB ALA A 51 -10.807 -27.315 -18.057 1.00 44.10 C ATOM 0 H ALA A 51 -10.835 -25.735 -16.148 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.541 -28.433 -16.401 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -10.763 -28.179 -18.720 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -11.754 -26.796 -18.200 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -9.984 -26.638 -18.287 1.00 44.10 H new ATOM 789 N LYS A 52 -8.294 -27.842 -16.317 1.00 53.45 N ATOM 790 CA LYS A 52 -7.008 -28.455 -15.995 1.00 42.14 C ATOM 791 C LYS A 52 -6.912 -28.748 -14.490 1.00 3.33 C ATOM 792 O LYS A 52 -6.396 -29.788 -14.077 1.00 33.40 O ATOM 793 CB LYS A 52 -5.862 -27.533 -16.448 1.00 40.33 C ATOM 794 CG LYS A 52 -4.440 -28.071 -16.213 1.00 30.34 C ATOM 795 CD LYS A 52 -4.099 -29.303 -17.067 1.00 44.14 C ATOM 796 CE LYS A 52 -4.609 -30.603 -16.447 1.00 31.32 C ATOM 797 NZ LYS A 52 -4.216 -31.801 -17.235 1.00 11.24 N ATOM 0 H LYS A 52 -8.255 -26.835 -16.472 1.00 53.45 H new ATOM 0 HA LYS A 52 -6.924 -29.403 -16.527 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -5.983 -27.330 -17.512 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -5.960 -26.580 -15.929 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -3.721 -27.280 -16.428 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -4.327 -28.327 -15.160 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -4.532 -29.184 -18.060 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -3.018 -29.365 -17.195 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -4.220 -30.695 -15.433 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -5.696 -30.563 -16.369 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -4.722 -32.635 -16.874 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -4.460 -31.654 -18.235 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -3.191 -31.953 -17.147 1.00 11.24 H new ATOM 811 N LEU A 53 -7.433 -27.828 -13.685 1.00 5.45 N ATOM 812 CA LEU A 53 -7.325 -27.897 -12.220 1.00 72.44 C ATOM 813 C LEU A 53 -8.051 -29.133 -11.671 1.00 43.14 C ATOM 814 O LEU A 53 -7.737 -29.614 -10.583 1.00 30.51 O ATOM 815 CB LEU A 53 -7.892 -26.597 -11.603 1.00 61.32 C ATOM 816 CG LEU A 53 -7.478 -26.245 -10.155 1.00 62.23 C ATOM 817 CD1 LEU A 53 -8.231 -27.082 -9.123 1.00 3.31 C ATOM 818 CD2 LEU A 53 -5.969 -26.394 -9.964 1.00 15.34 C ATOM 0 H LEU A 53 -7.943 -27.012 -14.023 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.275 -27.992 -11.944 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -7.600 -25.766 -12.246 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.980 -26.658 -11.635 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.749 -25.202 -9.993 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -7.908 -26.801 -8.121 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -9.302 -26.905 -9.222 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -8.021 -28.139 -9.288 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.705 -26.140 -8.937 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -5.676 -27.423 -10.170 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.448 -25.725 -10.648 1.00 15.34 H new ATOM 830 N THR A 54 -8.996 -29.670 -12.442 1.00 2.31 N ATOM 831 CA THR A 54 -9.753 -30.844 -12.010 1.00 74.25 C ATOM 832 C THR A 54 -8.916 -32.118 -12.132 1.00 12.24 C ATOM 833 O THR A 54 -9.402 -33.220 -11.861 1.00 11.50 O ATOM 834 CB THR A 54 -11.085 -30.994 -12.791 1.00 54.25 C ATOM 835 OG1 THR A 54 -10.882 -30.698 -14.179 1.00 2.43 O ATOM 836 CG2 THR A 54 -12.170 -30.081 -12.223 1.00 33.32 C ATOM 0 H THR A 54 -9.254 -29.314 -13.362 1.00 2.31 H new ATOM 0 HA THR A 54 -10.000 -30.692 -10.959 1.00 74.25 H new ATOM 0 HB THR A 54 -11.417 -32.027 -12.685 1.00 54.25 H new ATOM 0 HG1 THR A 54 -10.879 -29.727 -14.309 1.00 2.43 H new ATOM 0 HG21 THR A 54 -13.090 -30.211 -12.793 1.00 33.32 H new ATOM 0 HG22 THR A 54 -12.351 -30.337 -11.179 1.00 33.32 H new ATOM 0 HG23 THR A 54 -11.844 -29.043 -12.291 1.00 33.32 H new ATOM 844 N ASP A 55 -7.658 -31.965 -12.550 1.00 13.25 N ATOM 845 CA ASP A 55 -6.681 -33.048 -12.469 1.00 1.54 C ATOM 846 C ASP A 55 -5.784 -32.829 -11.249 1.00 20.51 C ATOM 847 O ASP A 55 -4.745 -32.172 -11.353 1.00 75.23 O ATOM 848 CB ASP A 55 -5.809 -33.134 -13.738 1.00 3.22 C ATOM 849 CG ASP A 55 -6.549 -33.675 -14.954 1.00 40.30 C ATOM 850 OD1 ASP A 55 -7.275 -34.679 -14.819 1.00 52.23 O ATOM 851 OD2 ASP A 55 -6.387 -33.111 -16.060 1.00 74.12 O ATOM 0 H ASP A 55 -7.293 -31.100 -12.948 1.00 13.25 H new ATOM 0 HA ASP A 55 -7.228 -33.986 -12.377 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -5.423 -32.142 -13.971 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -4.948 -33.771 -13.534 1.00 3.22 H new ATOM 856 N PRO A 56 -6.166 -33.373 -10.071 1.00 62.43 N ATOM 857 CA PRO A 56 -5.400 -33.183 -8.829 1.00 43.13 C ATOM 858 C PRO A 56 -3.972 -33.699 -8.973 1.00 2.34 C ATOM 859 O PRO A 56 -3.068 -33.291 -8.245 1.00 53.10 O ATOM 860 CB PRO A 56 -6.182 -33.996 -7.783 1.00 74.10 C ATOM 861 CG PRO A 56 -7.025 -34.941 -8.577 1.00 74.41 C ATOM 862 CD PRO A 56 -7.353 -34.219 -9.854 1.00 55.11 C ATOM 0 HA PRO A 56 -5.302 -32.132 -8.556 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -5.508 -34.534 -7.117 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -6.797 -33.348 -7.159 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -6.489 -35.869 -8.778 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.932 -35.208 -8.034 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -7.511 -34.912 -10.680 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -8.261 -33.624 -9.759 1.00 55.11 H new ATOM 870 N GLU A 57 -3.790 -34.602 -9.931 1.00 53.21 N ATOM 871 CA GLU A 57 -2.479 -35.143 -10.251 1.00 31.20 C ATOM 872 C GLU A 57 -1.570 -34.018 -10.754 1.00 11.32 C ATOM 873 O GLU A 57 -0.431 -33.871 -10.308 1.00 40.10 O ATOM 874 CB GLU A 57 -2.620 -36.229 -11.328 1.00 11.23 C ATOM 875 CG GLU A 57 -1.376 -37.086 -11.530 1.00 74.52 C ATOM 876 CD GLU A 57 -1.105 -38.005 -10.350 1.00 43.42 C ATOM 877 OE1 GLU A 57 -1.744 -39.076 -10.264 1.00 15.41 O ATOM 878 OE2 GLU A 57 -0.258 -37.660 -9.498 1.00 10.41 O ATOM 0 H GLU A 57 -4.546 -34.977 -10.504 1.00 53.21 H new ATOM 0 HA GLU A 57 -2.038 -35.584 -9.357 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -3.454 -36.879 -11.063 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -2.875 -35.753 -12.275 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -1.494 -37.685 -12.433 1.00 74.52 H new ATOM 0 HG3 GLU A 57 -0.514 -36.438 -11.687 1.00 74.52 H new ATOM 885 N SER A 58 -2.096 -33.230 -11.689 1.00 43.04 N ATOM 886 CA SER A 58 -1.358 -32.116 -12.277 1.00 14.11 C ATOM 887 C SER A 58 -1.135 -30.987 -11.265 1.00 64.34 C ATOM 888 O SER A 58 -0.052 -30.401 -11.209 1.00 15.34 O ATOM 889 CB SER A 58 -2.107 -31.586 -13.504 1.00 53.34 C ATOM 890 OG SER A 58 -2.346 -32.626 -14.442 1.00 0.11 O ATOM 0 H SER A 58 -3.040 -33.345 -12.058 1.00 43.04 H new ATOM 0 HA SER A 58 -0.378 -32.485 -12.580 1.00 14.11 H new ATOM 0 HB2 SER A 58 -3.055 -31.146 -13.194 1.00 53.34 H new ATOM 0 HB3 SER A 58 -1.526 -30.793 -13.975 1.00 53.34 H new ATOM 0 HG SER A 58 -2.526 -32.237 -15.323 1.00 0.11 H new ATOM 896 N SER A 59 -2.157 -30.690 -10.464 1.00 11.31 N ATOM 897 CA SER A 59 -2.108 -29.561 -9.541 1.00 64.13 C ATOM 898 C SER A 59 -1.152 -29.837 -8.379 1.00 74.10 C ATOM 899 O SER A 59 -0.232 -29.061 -8.124 1.00 53.43 O ATOM 900 CB SER A 59 -3.515 -29.245 -9.028 1.00 5.10 C ATOM 901 OG SER A 59 -4.106 -30.382 -8.423 1.00 31.55 O ATOM 0 H SER A 59 -3.030 -31.217 -10.437 1.00 11.31 H new ATOM 0 HA SER A 59 -1.727 -28.692 -10.078 1.00 64.13 H new ATOM 0 HB2 SER A 59 -3.467 -28.429 -8.307 1.00 5.10 H new ATOM 0 HB3 SER A 59 -4.138 -28.904 -9.854 1.00 5.10 H new ATOM 0 HG SER A 59 -4.487 -30.130 -7.556 1.00 31.55 H new ATOM 907 N ALA A 60 -1.350 -30.964 -7.698 1.00 52.35 N ATOM 908 CA ALA A 60 -0.500 -31.339 -6.569 1.00 44.05 C ATOM 909 C ALA A 60 0.959 -31.489 -7.002 1.00 65.01 C ATOM 910 O ALA A 60 1.872 -31.453 -6.174 1.00 55.43 O ATOM 911 CB ALA A 60 -1.005 -32.628 -5.930 1.00 33.33 C ATOM 0 H ALA A 60 -2.091 -31.633 -7.908 1.00 52.35 H new ATOM 0 HA ALA A 60 -0.548 -30.540 -5.829 1.00 44.05 H new ATOM 0 HB1 ALA A 60 -0.362 -32.894 -5.091 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -2.025 -32.482 -5.574 1.00 33.33 H new ATOM 0 HB3 ALA A 60 -0.990 -33.430 -6.668 1.00 33.33 H new ATOM 917 N GLN A 61 1.174 -31.626 -8.312 1.00 51.35 N ATOM 918 CA GLN A 61 2.510 -31.839 -8.866 1.00 31.01 C ATOM 919 C GLN A 61 3.410 -30.620 -8.634 1.00 42.21 C ATOM 920 O GLN A 61 4.634 -30.738 -8.659 1.00 61.11 O ATOM 921 CB GLN A 61 2.426 -32.142 -10.371 1.00 62.35 C ATOM 922 CG GLN A 61 3.768 -32.499 -11.012 1.00 12.53 C ATOM 923 CD GLN A 61 3.677 -32.659 -12.522 1.00 33.44 C ATOM 924 OE1 GLN A 61 2.632 -33.030 -13.056 1.00 35.13 O ATOM 925 NE2 GLN A 61 4.769 -32.383 -13.220 1.00 62.21 N ATOM 0 H GLN A 61 0.433 -31.593 -9.012 1.00 51.35 H new ATOM 0 HA GLN A 61 2.948 -32.694 -8.351 1.00 31.01 H new ATOM 0 HB2 GLN A 61 1.730 -32.967 -10.526 1.00 62.35 H new ATOM 0 HB3 GLN A 61 2.011 -31.274 -10.883 1.00 62.35 H new ATOM 0 HG2 GLN A 61 4.496 -31.722 -10.777 1.00 12.53 H new ATOM 0 HG3 GLN A 61 4.139 -33.426 -10.575 1.00 12.53 H new ATOM 0 HE21 GLN A 61 5.617 -32.078 -12.742 1.00 62.21 H new ATOM 0 HE22 GLN A 61 4.762 -32.475 -14.236 1.00 62.21 H new ATOM 934 N ILE A 62 2.795 -29.456 -8.399 1.00 4.23 N ATOM 935 CA ILE A 62 3.540 -28.202 -8.233 1.00 32.12 C ATOM 936 C ILE A 62 4.685 -28.369 -7.229 1.00 0.54 C ATOM 937 O ILE A 62 5.818 -27.959 -7.493 1.00 12.44 O ATOM 938 CB ILE A 62 2.611 -27.040 -7.786 1.00 60.44 C ATOM 939 CG1 ILE A 62 1.525 -26.782 -8.847 1.00 42.11 C ATOM 940 CG2 ILE A 62 3.415 -25.763 -7.514 1.00 4.10 C ATOM 941 CD1 ILE A 62 2.065 -26.361 -10.198 1.00 43.34 C ATOM 0 H ILE A 62 1.783 -29.356 -8.319 1.00 4.23 H new ATOM 0 HA ILE A 62 3.960 -27.950 -9.207 1.00 32.12 H new ATOM 0 HB ILE A 62 2.125 -27.334 -6.855 1.00 60.44 H new ATOM 0 HG12 ILE A 62 0.932 -27.688 -8.972 1.00 42.11 H new ATOM 0 HG13 ILE A 62 0.851 -26.008 -8.480 1.00 42.11 H new ATOM 0 HG21 ILE A 62 2.739 -24.967 -7.203 1.00 4.10 H new ATOM 0 HG22 ILE A 62 4.141 -25.952 -6.723 1.00 4.10 H new ATOM 0 HG23 ILE A 62 3.937 -25.461 -8.422 1.00 4.10 H new ATOM 0 HD11 ILE A 62 1.236 -26.199 -10.887 1.00 43.34 H new ATOM 0 HD12 ILE A 62 2.633 -25.437 -10.091 1.00 43.34 H new ATOM 0 HD13 ILE A 62 2.715 -27.143 -10.590 1.00 43.34 H new ATOM 953 N ASP A 63 4.387 -28.966 -6.077 1.00 4.21 N ATOM 954 CA ASP A 63 5.426 -29.268 -5.084 1.00 24.12 C ATOM 955 C ASP A 63 5.462 -30.764 -4.768 1.00 32.11 C ATOM 956 O ASP A 63 6.441 -31.269 -4.213 1.00 51.03 O ATOM 957 CB ASP A 63 5.186 -28.471 -3.792 1.00 63.41 C ATOM 958 CG ASP A 63 6.276 -28.706 -2.753 1.00 3.22 C ATOM 959 OD1 ASP A 63 7.389 -28.160 -2.922 1.00 1.22 O ATOM 960 OD2 ASP A 63 6.033 -29.442 -1.773 1.00 51.45 O ATOM 0 H ASP A 63 3.445 -29.249 -5.806 1.00 4.21 H new ATOM 0 HA ASP A 63 6.387 -28.978 -5.509 1.00 24.12 H new ATOM 0 HB2 ASP A 63 5.136 -27.408 -4.028 1.00 63.41 H new ATOM 0 HB3 ASP A 63 4.220 -28.750 -3.371 1.00 63.41 H new ATOM 965 N GLY A 64 4.421 -31.477 -5.179 1.00 4.34 N ATOM 966 CA GLY A 64 4.263 -32.871 -4.791 1.00 4.15 C ATOM 967 C GLY A 64 3.368 -33.000 -3.575 1.00 21.32 C ATOM 968 O GLY A 64 3.544 -33.893 -2.745 1.00 74.55 O ATOM 0 H GLY A 64 3.678 -31.115 -5.777 1.00 4.34 H new ATOM 0 HA2 GLY A 64 3.839 -33.437 -5.620 1.00 4.15 H new ATOM 0 HA3 GLY A 64 5.239 -33.305 -4.576 1.00 4.15 H new ATOM 972 N VAL A 65 2.410 -32.086 -3.472 1.00 53.23 N ATOM 973 CA VAL A 65 1.474 -32.041 -2.356 1.00 5.12 C ATOM 974 C VAL A 65 0.327 -31.097 -2.705 1.00 22.24 C ATOM 975 O VAL A 65 0.523 -30.133 -3.448 1.00 34.45 O ATOM 976 CB VAL A 65 2.164 -31.566 -1.044 1.00 20.52 C ATOM 977 CG1 VAL A 65 2.707 -30.144 -1.193 1.00 63.22 C ATOM 978 CG2 VAL A 65 1.206 -31.665 0.146 1.00 11.54 C ATOM 0 H VAL A 65 2.260 -31.352 -4.164 1.00 53.23 H new ATOM 0 HA VAL A 65 1.097 -33.049 -2.185 1.00 5.12 H new ATOM 0 HB VAL A 65 3.008 -32.228 -0.851 1.00 20.52 H new ATOM 0 HG11 VAL A 65 3.184 -29.837 -0.262 1.00 63.22 H new ATOM 0 HG12 VAL A 65 3.438 -30.116 -2.001 1.00 63.22 H new ATOM 0 HG13 VAL A 65 1.887 -29.463 -1.422 1.00 63.22 H new ATOM 0 HG21 VAL A 65 1.713 -31.327 1.050 1.00 11.54 H new ATOM 0 HG22 VAL A 65 0.333 -31.038 -0.036 1.00 11.54 H new ATOM 0 HG23 VAL A 65 0.889 -32.700 0.273 1.00 11.54 H new ATOM 988 N VAL A 66 -0.862 -31.383 -2.182 1.00 30.32 N ATOM 989 CA VAL A 66 -2.042 -30.561 -2.449 1.00 1.42 C ATOM 990 C VAL A 66 -2.089 -29.355 -1.504 1.00 32.13 C ATOM 991 O VAL A 66 -2.040 -29.502 -0.280 1.00 51.15 O ATOM 992 CB VAL A 66 -3.351 -31.392 -2.321 1.00 14.41 C ATOM 993 CG1 VAL A 66 -3.461 -32.049 -0.944 1.00 5.23 C ATOM 994 CG2 VAL A 66 -4.582 -30.528 -2.605 1.00 34.45 C ATOM 0 H VAL A 66 -1.036 -32.180 -1.569 1.00 30.32 H new ATOM 0 HA VAL A 66 -1.966 -30.201 -3.475 1.00 1.42 H new ATOM 0 HB VAL A 66 -3.310 -32.184 -3.069 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -4.386 -32.622 -0.887 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -2.612 -32.715 -0.790 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -3.463 -31.279 -0.173 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -5.482 -31.135 -2.508 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -4.621 -29.705 -1.892 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -4.521 -30.129 -3.617 1.00 34.45 H new ATOM 1004 N SER A 67 -2.132 -28.160 -2.081 1.00 53.53 N ATOM 1005 CA SER A 67 -2.227 -26.917 -1.323 1.00 63.30 C ATOM 1006 C SER A 67 -3.068 -25.907 -2.108 1.00 25.11 C ATOM 1007 O SER A 67 -2.927 -25.808 -3.320 1.00 45.11 O ATOM 1008 CB SER A 67 -0.824 -26.365 -1.035 1.00 44.10 C ATOM 1009 OG SER A 67 -0.053 -27.292 -0.280 1.00 1.41 O ATOM 0 H SER A 67 -2.102 -28.025 -3.092 1.00 53.53 H new ATOM 0 HA SER A 67 -2.714 -27.107 -0.366 1.00 63.30 H new ATOM 0 HB2 SER A 67 -0.317 -26.145 -1.974 1.00 44.10 H new ATOM 0 HB3 SER A 67 -0.905 -25.425 -0.489 1.00 44.10 H new ATOM 0 HG SER A 67 0.837 -26.917 -0.112 1.00 1.41 H new ATOM 1015 N LYS A 68 -3.911 -25.140 -1.411 1.00 41.35 N ATOM 1016 CA LYS A 68 -4.885 -24.246 -2.055 1.00 53.40 C ATOM 1017 C LYS A 68 -4.244 -23.359 -3.131 1.00 61.41 C ATOM 1018 O LYS A 68 -4.895 -22.988 -4.114 1.00 72.23 O ATOM 1019 CB LYS A 68 -5.566 -23.358 -1.001 1.00 10.32 C ATOM 1020 CG LYS A 68 -6.591 -22.383 -1.586 1.00 71.13 C ATOM 1021 CD LYS A 68 -7.105 -21.385 -0.549 1.00 22.42 C ATOM 1022 CE LYS A 68 -7.867 -22.065 0.583 1.00 22.41 C ATOM 1023 NZ LYS A 68 -8.385 -21.080 1.566 1.00 5.02 N ATOM 0 H LYS A 68 -3.940 -25.119 -0.392 1.00 41.35 H new ATOM 0 HA LYS A 68 -5.623 -24.881 -2.545 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -6.061 -23.995 -0.268 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -4.802 -22.792 -0.468 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -6.139 -21.840 -2.416 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -7.432 -22.945 -1.993 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -6.264 -20.830 -0.135 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -7.756 -20.660 -1.038 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -8.697 -22.638 0.170 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -7.211 -22.774 1.089 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -8.897 -21.579 2.321 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -7.591 -20.550 1.978 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -9.030 -20.419 1.088 1.00 5.02 H new ATOM 1037 N ASP A 69 -2.970 -23.031 -2.950 1.00 15.13 N ATOM 1038 CA ASP A 69 -2.275 -22.110 -3.850 1.00 73.13 C ATOM 1039 C ASP A 69 -2.150 -22.671 -5.268 1.00 2.11 C ATOM 1040 O ASP A 69 -1.892 -21.919 -6.210 1.00 71.50 O ATOM 1041 CB ASP A 69 -0.898 -21.731 -3.296 1.00 3.14 C ATOM 1042 CG ASP A 69 -0.039 -22.933 -2.952 1.00 33.44 C ATOM 1043 OD1 ASP A 69 -0.155 -23.432 -1.811 1.00 53.11 O ATOM 1044 OD2 ASP A 69 0.764 -23.370 -3.801 1.00 3.03 O ATOM 0 H ASP A 69 -2.394 -23.388 -2.188 1.00 15.13 H new ATOM 0 HA ASP A 69 -2.884 -21.208 -3.910 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.375 -21.117 -4.030 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -1.029 -21.119 -2.404 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.340 -23.978 -5.428 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.337 -24.594 -6.755 1.00 21.21 C ATOM 1051 C GLU A 70 -3.387 -23.923 -7.649 1.00 20.22 C ATOM 1052 O GLU A 70 -3.156 -23.702 -8.841 1.00 62.31 O ATOM 1053 CB GLU A 70 -2.588 -26.110 -6.648 1.00 43.43 C ATOM 1054 CG GLU A 70 -3.914 -26.487 -5.991 1.00 54.45 C ATOM 1055 CD GLU A 70 -3.988 -27.964 -5.620 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -3.191 -28.403 -4.762 1.00 33.23 O ATOM 1057 OE2 GLU A 70 -4.833 -28.687 -6.188 1.00 53.25 O ATOM 0 H GLU A 70 -2.498 -24.630 -4.660 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.357 -24.449 -7.209 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -2.557 -26.542 -7.648 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -1.774 -26.561 -6.080 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.055 -25.884 -5.094 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -4.732 -26.246 -6.669 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.521 -23.560 -7.047 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.591 -22.862 -7.757 1.00 21.42 C ATOM 1066 C ILE A 71 -5.067 -21.563 -8.376 1.00 5.33 C ATOM 1067 O ILE A 71 -5.108 -21.377 -9.597 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.781 -22.540 -6.804 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.470 -23.837 -6.336 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.788 -21.604 -7.477 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.554 -23.612 -5.298 1.00 41.44 C ATOM 0 H ILE A 71 -4.721 -23.740 -6.063 1.00 21.23 H new ATOM 0 HA ILE A 71 -5.946 -23.522 -8.549 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.381 -22.029 -5.928 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -7.905 -24.339 -7.200 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.718 -24.509 -5.923 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.608 -21.396 -6.789 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.294 -20.670 -7.745 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.181 -22.078 -8.377 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -8.993 -24.569 -5.017 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.121 -23.139 -4.417 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.327 -22.966 -5.714 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.544 -20.681 -7.528 1.00 15.22 N ATOM 1084 CA GLU A 72 -4.054 -19.379 -7.973 1.00 53.51 C ATOM 1085 C GLU A 72 -2.841 -19.521 -8.891 1.00 55.15 C ATOM 1086 O GLU A 72 -2.621 -18.683 -9.773 1.00 64.43 O ATOM 1087 CB GLU A 72 -3.744 -18.465 -6.777 1.00 52.51 C ATOM 1088 CG GLU A 72 -3.055 -19.155 -5.613 1.00 33.15 C ATOM 1089 CD GLU A 72 -2.741 -18.207 -4.466 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -3.689 -17.622 -3.899 1.00 15.35 O ATOM 1091 OE2 GLU A 72 -1.547 -18.040 -4.129 1.00 52.10 O ATOM 0 H GLU A 72 -4.448 -20.845 -6.526 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.849 -18.910 -8.553 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -3.115 -17.643 -7.119 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -4.676 -18.026 -6.421 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -3.690 -19.962 -5.248 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -2.130 -19.612 -5.964 1.00 33.15 H new ATOM 1098 N LYS A 73 -2.065 -20.582 -8.699 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.958 -20.882 -9.600 1.00 45.24 C ATOM 1100 C LYS A 73 -1.495 -21.107 -11.013 1.00 24.45 C ATOM 1101 O LYS A 73 -0.980 -20.541 -11.980 1.00 4.23 O ATOM 1102 CB LYS A 73 -0.170 -22.113 -9.120 1.00 73.41 C ATOM 1103 CG LYS A 73 0.870 -22.615 -10.126 1.00 61.01 C ATOM 1104 CD LYS A 73 1.898 -21.536 -10.485 1.00 25.10 C ATOM 1105 CE LYS A 73 2.793 -21.966 -11.645 1.00 44.05 C ATOM 1106 NZ LYS A 73 3.749 -20.897 -12.042 1.00 4.13 N ATOM 0 H LYS A 73 -2.181 -21.245 -7.933 1.00 41.33 H new ATOM 0 HA LYS A 73 -0.274 -20.034 -9.606 1.00 45.24 H new ATOM 0 HB2 LYS A 73 0.333 -21.868 -8.184 1.00 73.41 H new ATOM 0 HB3 LYS A 73 -0.871 -22.919 -8.904 1.00 73.41 H new ATOM 0 HG2 LYS A 73 1.385 -23.481 -9.711 1.00 61.01 H new ATOM 0 HG3 LYS A 73 0.365 -22.948 -11.032 1.00 61.01 H new ATOM 0 HD2 LYS A 73 1.380 -20.614 -10.749 1.00 25.10 H new ATOM 0 HD3 LYS A 73 2.514 -21.317 -9.613 1.00 25.10 H new ATOM 0 HE2 LYS A 73 3.348 -22.861 -11.362 1.00 44.05 H new ATOM 0 HE3 LYS A 73 2.173 -22.233 -12.501 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 4.336 -21.232 -12.832 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 3.221 -20.051 -12.338 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 4.359 -20.659 -11.234 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.547 -21.920 -11.118 1.00 11.22 N ATOM 1121 CA PHE A 74 -3.186 -22.181 -12.406 1.00 22.20 C ATOM 1122 C PHE A 74 -3.834 -20.912 -12.957 1.00 73.02 C ATOM 1123 O PHE A 74 -3.842 -20.694 -14.168 1.00 45.14 O ATOM 1124 CB PHE A 74 -4.225 -23.309 -12.281 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.614 -24.692 -12.237 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -2.551 -24.975 -11.391 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -4.103 -25.710 -13.047 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -1.989 -26.239 -11.355 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -3.545 -26.974 -13.013 1.00 73.32 C ATOM 1130 CZ PHE A 74 -2.489 -27.238 -12.168 1.00 62.40 C ATOM 0 H PHE A 74 -2.972 -22.407 -10.329 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.415 -22.502 -13.107 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.813 -23.152 -11.377 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -4.914 -23.252 -13.123 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.157 -24.198 -10.752 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -4.930 -25.511 -13.712 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -1.161 -26.444 -10.693 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -3.936 -27.755 -13.649 1.00 73.32 H new ATOM 0 HZ PHE A 74 -2.052 -28.225 -12.141 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.367 -20.071 -12.066 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.996 -18.820 -12.488 1.00 31.44 C ATOM 1142 C ILE A 75 -3.972 -17.910 -13.168 1.00 22.43 C ATOM 1143 O ILE A 75 -4.170 -17.459 -14.301 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.620 -18.071 -11.279 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.705 -18.933 -10.612 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -6.192 -16.719 -11.705 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -7.286 -18.320 -9.353 1.00 30.54 C ATOM 0 H ILE A 75 -4.375 -20.232 -11.059 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.788 -19.072 -13.194 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.829 -17.886 -10.552 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.510 -19.104 -11.327 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.283 -19.908 -10.369 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.622 -16.217 -10.839 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -5.396 -16.103 -12.124 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.966 -16.872 -12.457 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -8.044 -18.986 -8.940 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.493 -18.175 -8.620 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.740 -17.358 -9.592 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.847 -17.701 -12.492 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.808 -16.801 -12.982 1.00 4.04 C ATOM 1161 C ALA A 76 -1.281 -17.266 -14.333 1.00 21.11 C ATOM 1162 O ALA A 76 -0.930 -16.450 -15.189 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.669 -16.706 -11.970 1.00 5.44 C ATOM 0 H ALA A 76 -2.631 -18.145 -11.599 1.00 52.44 H new ATOM 0 HA ALA A 76 -2.246 -15.811 -13.110 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.099 -16.031 -12.349 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -1.053 -16.324 -11.024 1.00 5.44 H new ATOM 0 HB3 ALA A 76 -0.238 -17.695 -11.813 1.00 5.44 H new ATOM 1169 N ASP A 77 -1.259 -18.583 -14.524 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.733 -19.184 -15.747 1.00 42.01 C ATOM 1171 C ASP A 77 -1.565 -18.777 -16.963 1.00 61.43 C ATOM 1172 O ASP A 77 -1.072 -18.771 -18.091 1.00 2.14 O ATOM 1173 CB ASP A 77 -0.705 -20.714 -15.618 1.00 63.45 C ATOM 1174 CG ASP A 77 0.147 -21.379 -16.692 1.00 43.21 C ATOM 1175 OD1 ASP A 77 -0.371 -21.669 -17.790 1.00 31.32 O ATOM 1176 OD2 ASP A 77 1.349 -21.605 -16.442 1.00 14.33 O ATOM 0 H ASP A 77 -1.602 -19.259 -13.841 1.00 61.03 H new ATOM 0 HA ASP A 77 0.284 -18.818 -15.891 1.00 42.01 H new ATOM 0 HB2 ASP A 77 -0.320 -20.985 -14.635 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -1.723 -21.098 -15.678 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.820 -18.396 -16.725 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.740 -18.037 -17.805 1.00 54.41 C ATOM 1183 C VAL A 78 -3.593 -16.552 -18.161 1.00 22.23 C ATOM 1184 O VAL A 78 -4.544 -15.890 -18.577 1.00 42.11 O ATOM 1185 CB VAL A 78 -5.200 -18.356 -17.394 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -6.161 -18.220 -18.573 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -5.279 -19.758 -16.801 1.00 24.11 C ATOM 0 H VAL A 78 -3.224 -18.328 -15.791 1.00 0.21 H new ATOM 0 HA VAL A 78 -3.491 -18.628 -18.687 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.503 -17.629 -16.640 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -7.174 -18.452 -18.245 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -6.127 -17.199 -18.954 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.868 -18.912 -19.363 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -6.308 -19.974 -16.515 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.948 -20.486 -17.542 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.638 -19.818 -15.922 1.00 24.11 H new ATOM 1197 N THR A 79 -2.373 -16.048 -17.992 1.00 30.41 N ATOM 1198 CA THR A 79 -2.035 -14.661 -18.299 1.00 54.12 C ATOM 1199 C THR A 79 -2.718 -13.714 -17.313 1.00 71.50 C ATOM 1200 O THR A 79 -2.781 -12.507 -17.537 1.00 33.50 O ATOM 1201 CB THR A 79 -2.435 -14.278 -19.753 1.00 72.30 C ATOM 1202 OG1 THR A 79 -2.135 -15.368 -20.647 1.00 53.21 O ATOM 1203 CG2 THR A 79 -1.687 -13.030 -20.225 1.00 22.22 C ATOM 0 H THR A 79 -1.588 -16.593 -17.637 1.00 30.41 H new ATOM 0 HA THR A 79 -0.953 -14.564 -18.208 1.00 54.12 H new ATOM 0 HB THR A 79 -3.505 -14.069 -19.759 1.00 72.30 H new ATOM 0 HG1 THR A 79 -2.391 -15.122 -21.560 1.00 53.21 H new ATOM 0 HG21 THR A 79 -1.989 -12.789 -21.244 1.00 22.22 H new ATOM 0 HG22 THR A 79 -1.925 -12.193 -19.568 1.00 22.22 H new ATOM 0 HG23 THR A 79 -0.614 -13.218 -20.199 1.00 22.22 H new ATOM 1211 N LYS A 80 -3.196 -14.260 -16.195 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.790 -13.430 -15.157 1.00 2.22 C ATOM 1213 C LYS A 80 -2.686 -12.693 -14.412 1.00 73.41 C ATOM 1214 O LYS A 80 -2.835 -11.520 -14.059 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.621 -14.258 -14.162 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.311 -13.402 -13.096 1.00 21.24 C ATOM 1217 CD LYS A 80 -6.436 -12.544 -13.685 1.00 33.52 C ATOM 1218 CE LYS A 80 -6.611 -11.223 -12.934 1.00 30.34 C ATOM 1219 NZ LYS A 80 -6.839 -11.412 -11.478 1.00 71.14 N ATOM 0 H LYS A 80 -3.183 -15.259 -15.990 1.00 61.35 H new ATOM 0 HA LYS A 80 -4.464 -12.721 -15.638 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -5.375 -14.823 -14.710 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.972 -14.984 -13.672 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.718 -14.050 -12.319 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -4.575 -12.756 -12.618 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -6.222 -12.338 -14.734 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -7.371 -13.104 -13.655 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -5.724 -10.607 -13.081 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -7.452 -10.677 -13.361 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -7.068 -10.497 -11.041 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -7.629 -12.072 -11.333 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -5.979 -11.800 -11.039 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.575 -13.412 -14.197 1.00 15.43 N ATOM 1234 CA ASP A 81 -0.410 -12.911 -13.457 1.00 70.42 C ATOM 1235 C ASP A 81 -0.737 -12.731 -11.975 1.00 63.31 C ATOM 1236 O ASP A 81 -0.171 -13.410 -11.117 1.00 51.31 O ATOM 1237 CB ASP A 81 0.108 -11.588 -14.049 1.00 15.35 C ATOM 1238 CG ASP A 81 1.361 -11.084 -13.343 1.00 71.41 C ATOM 1239 OD1 ASP A 81 1.246 -10.503 -12.243 1.00 53.32 O ATOM 1240 OD2 ASP A 81 2.474 -11.271 -13.882 1.00 21.22 O ATOM 0 H ASP A 81 -1.460 -14.367 -14.536 1.00 15.43 H new ATOM 0 HA ASP A 81 0.378 -13.658 -13.552 1.00 70.42 H new ATOM 0 HB2 ASP A 81 0.323 -11.727 -15.108 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -0.674 -10.832 -13.979 1.00 15.35 H new ATOM 1245 N GLU A 82 -1.662 -11.820 -11.700 1.00 51.11 N ATOM 1246 CA GLU A 82 -2.047 -11.446 -10.345 1.00 23.24 C ATOM 1247 C GLU A 82 -3.385 -12.092 -9.960 1.00 62.30 C ATOM 1248 O GLU A 82 -4.450 -11.620 -10.366 1.00 24.41 O ATOM 1249 CB GLU A 82 -2.149 -9.920 -10.288 1.00 2.34 C ATOM 1250 CG GLU A 82 -2.542 -9.346 -8.936 1.00 51.23 C ATOM 1251 CD GLU A 82 -2.739 -7.843 -9.008 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -3.855 -7.402 -9.363 1.00 14.04 O ATOM 1253 OE2 GLU A 82 -1.777 -7.094 -8.745 1.00 21.23 O ATOM 0 H GLU A 82 -2.173 -11.313 -12.422 1.00 51.11 H new ATOM 0 HA GLU A 82 -1.300 -11.800 -9.634 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -1.187 -9.497 -10.579 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -2.878 -9.593 -11.029 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -3.462 -9.819 -8.592 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -1.770 -9.578 -8.202 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.348 -13.208 -9.211 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.545 -13.880 -8.708 1.00 1.43 C ATOM 1262 C PRO A 83 -4.940 -13.389 -7.305 1.00 63.44 C ATOM 1263 O PRO A 83 -4.187 -13.565 -6.342 1.00 23.54 O ATOM 1264 CB PRO A 83 -4.092 -15.344 -8.666 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.628 -15.280 -8.339 1.00 51.24 C ATOM 1266 CD PRO A 83 -2.125 -13.926 -8.807 1.00 42.23 C ATOM 0 HA PRO A 83 -5.428 -13.699 -9.321 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.642 -15.907 -7.912 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -4.263 -15.839 -9.622 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.467 -15.402 -7.268 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -2.087 -16.085 -8.836 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.598 -13.400 -8.011 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.428 -14.026 -9.639 1.00 42.23 H new ATOM 1274 N THR A 84 -6.106 -12.761 -7.189 1.00 62.44 N ATOM 1275 CA THR A 84 -6.596 -12.287 -5.898 1.00 64.50 C ATOM 1276 C THR A 84 -7.681 -13.214 -5.353 1.00 62.30 C ATOM 1277 O THR A 84 -8.146 -14.134 -6.047 1.00 22.53 O ATOM 1278 CB THR A 84 -7.145 -10.839 -5.982 1.00 74.30 C ATOM 1279 OG1 THR A 84 -7.456 -10.362 -4.668 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.395 -10.753 -6.856 1.00 32.20 C ATOM 0 H THR A 84 -6.729 -12.568 -7.973 1.00 62.44 H new ATOM 0 HA THR A 84 -5.744 -12.290 -5.218 1.00 64.50 H new ATOM 0 HB THR A 84 -6.371 -10.221 -6.436 1.00 74.30 H new ATOM 0 HG1 THR A 84 -7.801 -9.446 -4.725 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.747 -9.722 -6.888 1.00 32.20 H new ATOM 0 HG22 THR A 84 -8.156 -11.086 -7.866 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.175 -11.390 -6.439 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.099 -12.946 -4.116 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.075 -13.777 -3.418 1.00 53.25 C ATOM 1290 C ALA A 85 -10.339 -13.961 -4.252 1.00 55.44 C ATOM 1291 O ALA A 85 -11.010 -14.989 -4.151 1.00 52.34 O ATOM 1292 CB ALA A 85 -9.411 -13.167 -2.062 1.00 13.24 C ATOM 0 H ALA A 85 -7.770 -12.148 -3.572 1.00 11.33 H new ATOM 0 HA ALA A 85 -8.634 -14.761 -3.261 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -10.140 -13.796 -1.551 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -8.505 -13.098 -1.460 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -9.828 -12.170 -2.205 1.00 13.24 H new ATOM 1298 N GLN A 86 -10.654 -12.961 -5.074 1.00 34.21 N ATOM 1299 CA GLN A 86 -11.811 -13.034 -5.959 1.00 11.51 C ATOM 1300 C GLN A 86 -11.575 -14.063 -7.065 1.00 50.40 C ATOM 1301 O GLN A 86 -12.470 -14.848 -7.392 1.00 71.31 O ATOM 1302 CB GLN A 86 -12.123 -11.663 -6.569 1.00 50.03 C ATOM 1303 CG GLN A 86 -13.426 -11.627 -7.361 1.00 41.24 C ATOM 1304 CD GLN A 86 -13.730 -10.257 -7.938 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -12.824 -9.493 -8.274 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -15.009 -9.932 -8.054 1.00 55.22 N ATOM 0 H GLN A 86 -10.124 -12.093 -5.144 1.00 34.21 H new ATOM 0 HA GLN A 86 -12.670 -13.347 -5.365 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.173 -10.923 -5.771 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -11.302 -11.371 -7.224 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -13.372 -12.353 -8.172 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -14.247 -11.933 -6.713 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -15.731 -10.592 -7.765 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -15.272 -9.022 -8.433 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.365 -14.064 -7.633 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.006 -15.037 -8.664 1.00 32.24 C ATOM 1317 C ASP A 87 -10.109 -16.443 -8.094 1.00 42.21 C ATOM 1318 O ASP A 87 -10.774 -17.308 -8.669 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.580 -14.816 -9.201 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.417 -13.517 -9.971 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -8.771 -13.470 -11.166 1.00 21.13 O ATOM 1322 OD2 ASP A 87 -7.908 -12.541 -9.392 1.00 14.52 O ATOM 0 H ASP A 87 -9.623 -13.405 -7.397 1.00 24.32 H new ATOM 0 HA ASP A 87 -10.701 -14.906 -9.493 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -7.880 -14.824 -8.365 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.311 -15.650 -9.850 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.459 -16.657 -6.946 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.496 -17.959 -6.279 1.00 12.41 C ATOM 1329 C ILE A 88 -10.940 -18.350 -5.958 1.00 62.53 C ATOM 1330 O ILE A 88 -11.323 -19.505 -6.124 1.00 0.14 O ATOM 1331 CB ILE A 88 -8.636 -17.995 -4.977 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.124 -17.932 -5.298 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -8.947 -19.249 -4.147 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.644 -16.582 -5.791 1.00 42.04 C ATOM 0 H ILE A 88 -8.905 -15.950 -6.463 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.063 -18.680 -6.973 1.00 12.41 H new ATOM 0 HB ILE A 88 -8.898 -17.114 -4.391 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -6.563 -18.198 -4.402 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -6.894 -18.684 -6.053 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.334 -19.250 -3.245 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.001 -19.250 -3.870 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -8.726 -20.139 -4.736 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.574 -16.628 -5.992 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.174 -16.320 -6.707 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -6.839 -15.826 -5.030 1.00 42.04 H new ATOM 1346 N SER A 89 -11.740 -17.376 -5.528 1.00 54.03 N ATOM 1347 CA SER A 89 -13.136 -17.625 -5.179 1.00 31.54 C ATOM 1348 C SER A 89 -13.913 -18.139 -6.392 1.00 63.41 C ATOM 1349 O SER A 89 -14.573 -19.176 -6.324 1.00 50.42 O ATOM 1350 CB SER A 89 -13.782 -16.340 -4.638 1.00 55.52 C ATOM 1351 OG SER A 89 -15.118 -16.562 -4.212 1.00 41.44 O ATOM 0 H SER A 89 -11.444 -16.407 -5.413 1.00 54.03 H new ATOM 0 HA SER A 89 -13.167 -18.390 -4.403 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.193 -15.960 -3.804 1.00 55.52 H new ATOM 0 HB3 SER A 89 -13.770 -15.573 -5.412 1.00 55.52 H new ATOM 0 HG SER A 89 -15.497 -15.724 -3.873 1.00 41.44 H new ATOM 1357 N ARG A 90 -13.794 -17.425 -7.513 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.491 -17.797 -8.745 1.00 54.03 C ATOM 1359 C ARG A 90 -14.084 -19.203 -9.183 1.00 24.50 C ATOM 1360 O ARG A 90 -14.927 -20.102 -9.332 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.152 -16.789 -9.859 1.00 2.20 C ATOM 1362 CG ARG A 90 -14.694 -15.384 -9.611 1.00 50.34 C ATOM 1363 CD ARG A 90 -14.050 -14.347 -10.529 1.00 62.12 C ATOM 1364 NE ARG A 90 -14.136 -14.714 -11.948 1.00 24.24 N ATOM 1365 CZ ARG A 90 -15.234 -14.573 -12.696 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -16.371 -14.161 -12.149 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -15.197 -14.849 -13.994 1.00 40.20 N ATOM 0 H ARG A 90 -13.221 -16.585 -7.593 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.565 -17.784 -8.557 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.069 -16.735 -9.969 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -14.550 -17.159 -10.804 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -15.773 -15.381 -9.763 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -14.517 -15.106 -8.572 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -14.535 -13.383 -10.377 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -13.003 -14.224 -10.253 1.00 62.12 H new ATOM 0 HE ARG A 90 -13.303 -15.102 -12.392 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -16.410 -13.950 -11.152 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -17.206 -14.055 -12.726 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -14.329 -15.170 -14.423 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -16.037 -14.740 -14.563 1.00 40.20 H new ATOM 1381 N VAL A 91 -12.782 -19.389 -9.346 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.238 -20.658 -9.799 1.00 73.33 C ATOM 1383 C VAL A 91 -12.669 -21.788 -8.871 1.00 11.43 C ATOM 1384 O VAL A 91 -13.181 -22.813 -9.326 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.694 -20.591 -9.893 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.103 -21.946 -10.267 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.274 -19.523 -10.901 1.00 44.15 C ATOM 0 H VAL A 91 -12.080 -18.671 -9.169 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.632 -20.861 -10.795 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.305 -20.321 -8.911 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -9.017 -21.866 -10.325 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.373 -22.682 -9.510 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.496 -22.260 -11.234 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.186 -19.485 -10.959 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.681 -19.768 -11.882 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.655 -18.552 -10.583 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.500 -21.576 -7.568 1.00 14.51 N ATOM 1398 CA ALA A 92 -12.874 -22.574 -6.570 1.00 51.41 C ATOM 1399 C ALA A 92 -14.352 -22.924 -6.680 1.00 45.24 C ATOM 1400 O ALA A 92 -14.733 -24.088 -6.557 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.541 -22.092 -5.163 1.00 45.23 C ATOM 0 H ALA A 92 -12.106 -20.720 -7.178 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.293 -23.475 -6.766 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -12.830 -22.854 -4.439 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.470 -21.906 -5.086 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -13.085 -21.170 -4.956 1.00 45.23 H new ATOM 1407 N SER A 93 -15.175 -21.913 -6.937 1.00 15.05 N ATOM 1408 CA SER A 93 -16.606 -22.118 -7.080 1.00 62.23 C ATOM 1409 C SER A 93 -16.897 -23.012 -8.285 1.00 73.41 C ATOM 1410 O SER A 93 -17.745 -23.907 -8.213 1.00 13.21 O ATOM 1411 CB SER A 93 -17.317 -20.769 -7.223 1.00 70.15 C ATOM 1412 OG SER A 93 -17.062 -19.930 -6.103 1.00 11.51 O ATOM 0 H SER A 93 -14.873 -20.945 -7.050 1.00 15.05 H new ATOM 0 HA SER A 93 -16.983 -22.616 -6.187 1.00 62.23 H new ATOM 0 HB2 SER A 93 -16.983 -20.274 -8.135 1.00 70.15 H new ATOM 0 HB3 SER A 93 -18.390 -20.930 -7.323 1.00 70.15 H new ATOM 0 HG SER A 93 -16.297 -19.350 -6.297 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.173 -22.785 -9.389 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.372 -23.590 -10.604 1.00 3.43 C ATOM 1420 C ARG A 94 -15.978 -25.051 -10.368 1.00 32.51 C ATOM 1421 O ARG A 94 -16.776 -25.957 -10.599 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.562 -23.049 -11.790 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.560 -21.541 -11.924 1.00 61.23 C ATOM 1424 CD ARG A 94 -16.964 -20.952 -11.807 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.004 -19.538 -12.194 1.00 3.54 N ATOM 1426 CZ ARG A 94 -18.001 -18.706 -11.879 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -18.982 -19.109 -11.073 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -18.000 -17.461 -12.351 1.00 21.02 N ATOM 0 H ARG A 94 -15.456 -22.064 -9.468 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.434 -23.527 -10.843 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.532 -23.392 -11.695 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -15.958 -23.481 -12.709 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -14.921 -21.110 -11.153 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -15.130 -21.264 -12.886 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.648 -21.519 -12.438 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.316 -21.056 -10.781 1.00 13.22 H new ATOM 0 HE ARG A 94 -16.224 -19.167 -12.736 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -18.974 -20.056 -10.694 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -19.741 -18.471 -10.835 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -17.239 -17.144 -12.952 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -18.760 -16.824 -12.112 1.00 21.02 H new ATOM 1442 N LEU A 95 -14.746 -25.269 -9.897 1.00 55.01 N ATOM 1443 CA LEU A 95 -14.236 -26.628 -9.690 1.00 15.52 C ATOM 1444 C LEU A 95 -15.055 -27.354 -8.632 1.00 70.41 C ATOM 1445 O LEU A 95 -15.191 -28.579 -8.670 1.00 61.13 O ATOM 1446 CB LEU A 95 -12.737 -26.610 -9.335 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.320 -25.688 -8.170 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -12.115 -26.465 -6.873 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -11.062 -24.900 -8.529 1.00 73.21 C ATOM 0 H LEU A 95 -14.088 -24.528 -9.654 1.00 55.01 H new ATOM 0 HA LEU A 95 -14.340 -27.178 -10.625 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -12.431 -27.628 -9.092 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -12.179 -26.313 -10.223 1.00 62.31 H new ATOM 0 HG LEU A 95 -13.137 -24.986 -8.004 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.822 -25.778 -6.079 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -13.044 -26.964 -6.597 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -11.332 -27.210 -7.015 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -10.785 -24.256 -7.694 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -10.247 -25.592 -8.739 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.255 -24.288 -9.410 1.00 73.21 H new ATOM 1461 N ALA A 96 -15.613 -26.586 -7.700 1.00 40.45 N ATOM 1462 CA ALA A 96 -16.564 -27.118 -6.734 1.00 52.43 C ATOM 1463 C ALA A 96 -17.781 -27.673 -7.472 1.00 51.03 C ATOM 1464 O ALA A 96 -18.128 -28.848 -7.336 1.00 52.32 O ATOM 1465 CB ALA A 96 -16.979 -26.034 -5.742 1.00 5.15 C ATOM 0 H ALA A 96 -15.421 -25.590 -7.595 1.00 40.45 H new ATOM 0 HA ALA A 96 -16.094 -27.924 -6.171 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -17.690 -26.448 -5.027 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -16.099 -25.671 -5.210 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -17.444 -25.208 -6.279 1.00 5.15 H new ATOM 1471 N ALA A 97 -18.396 -26.821 -8.288 1.00 43.02 N ATOM 1472 CA ALA A 97 -19.534 -27.208 -9.119 1.00 4.04 C ATOM 1473 C ALA A 97 -19.143 -28.319 -10.098 1.00 60.22 C ATOM 1474 O ALA A 97 -20.007 -28.987 -10.673 1.00 2.12 O ATOM 1475 CB ALA A 97 -20.072 -25.999 -9.875 1.00 52.53 C ATOM 0 H ALA A 97 -18.121 -25.844 -8.392 1.00 43.02 H new ATOM 0 HA ALA A 97 -20.318 -27.591 -8.466 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -20.919 -26.302 -10.490 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.394 -25.238 -9.163 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.288 -25.591 -10.513 1.00 52.53 H new ATOM 1481 N GLY A 98 -17.836 -28.501 -10.277 1.00 10.24 N ATOM 1482 CA GLY A 98 -17.323 -29.480 -11.216 1.00 71.13 C ATOM 1483 C GLY A 98 -17.650 -30.907 -10.820 1.00 75.14 C ATOM 1484 O GLY A 98 -17.708 -31.791 -11.680 1.00 24.30 O ATOM 0 H GLY A 98 -17.116 -27.978 -9.779 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -17.736 -29.279 -12.204 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -16.241 -29.369 -11.294 1.00 71.13 H new ATOM 1488 N GLY A 99 -17.877 -31.149 -9.532 1.00 44.44 N ATOM 1489 CA GLY A 99 -18.272 -32.480 -9.107 1.00 11.31 C ATOM 1490 C GLY A 99 -17.922 -32.799 -7.671 1.00 2.41 C ATOM 1491 O GLY A 99 -18.618 -33.586 -7.031 1.00 24.34 O ATOM 0 H GLY A 99 -17.796 -30.459 -8.785 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -19.349 -32.588 -9.240 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -17.796 -33.214 -9.757 1.00 11.31 H new ATOM 1495 N TRP A 100 -16.859 -32.194 -7.144 1.00 33.12 N ATOM 1496 CA TRP A 100 -16.380 -32.555 -5.809 1.00 54.53 C ATOM 1497 C TRP A 100 -16.223 -31.329 -4.900 1.00 63.43 C ATOM 1498 O TRP A 100 -15.129 -30.783 -4.745 1.00 14.14 O ATOM 1499 CB TRP A 100 -15.045 -33.315 -5.939 1.00 53.11 C ATOM 1500 CG TRP A 100 -14.007 -32.602 -6.781 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -14.119 -32.231 -8.097 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -12.696 -32.188 -6.366 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -12.968 -31.608 -8.514 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -12.080 -31.570 -7.472 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -11.989 -32.274 -5.163 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -10.788 -31.046 -7.413 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -10.707 -31.754 -5.106 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -10.120 -31.145 -6.223 1.00 25.43 C ATOM 0 H TRP A 100 -16.320 -31.464 -7.610 1.00 33.12 H new ATOM 0 HA TRP A 100 -17.125 -33.197 -5.339 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -14.636 -33.483 -4.943 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -15.238 -34.296 -6.373 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -14.987 -32.404 -8.716 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -12.802 -31.234 -9.448 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -12.434 -32.737 -4.295 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -10.333 -30.580 -8.274 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -10.149 -31.819 -4.183 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -9.120 -30.746 -6.143 1.00 25.43 H new ATOM 1519 N PRO A 101 -17.341 -30.852 -4.321 1.00 54.45 N ATOM 1520 CA PRO A 101 -17.361 -29.870 -3.251 1.00 61.44 C ATOM 1521 C PRO A 101 -18.134 -30.346 -2.016 1.00 74.42 C ATOM 1522 O PRO A 101 -18.419 -31.535 -1.851 1.00 34.13 O ATOM 1523 CB PRO A 101 -18.204 -28.810 -3.951 1.00 45.13 C ATOM 1524 CG PRO A 101 -19.278 -29.627 -4.641 1.00 52.13 C ATOM 1525 CD PRO A 101 -18.717 -31.043 -4.787 1.00 25.12 C ATOM 0 HA PRO A 101 -16.373 -29.594 -2.882 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -18.630 -28.101 -3.242 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -17.616 -28.233 -4.664 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -20.198 -29.632 -4.056 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -19.522 -29.204 -5.615 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -19.261 -31.766 -4.179 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -18.757 -31.398 -5.817 1.00 25.12 H new ATOM 1533 N LEU A 102 -18.446 -29.387 -1.151 1.00 10.31 N ATOM 1534 CA LEU A 102 -19.620 -29.460 -0.295 1.00 74.21 C ATOM 1535 C LEU A 102 -20.419 -28.181 -0.540 1.00 33.31 C ATOM 1536 O LEU A 102 -20.232 -27.186 0.167 1.00 3.42 O ATOM 1537 CB LEU A 102 -19.258 -29.580 1.202 1.00 54.21 C ATOM 1538 CG LEU A 102 -18.714 -30.944 1.677 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -19.625 -32.086 1.226 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -17.279 -31.169 1.206 1.00 12.44 C ATOM 0 H LEU A 102 -17.892 -28.540 -1.025 1.00 10.31 H new ATOM 0 HA LEU A 102 -20.193 -30.355 -0.538 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -18.514 -28.818 1.434 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -20.148 -29.346 1.787 1.00 54.21 H new ATOM 0 HG LEU A 102 -18.704 -30.931 2.767 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -19.218 -33.035 1.574 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -20.621 -31.943 1.644 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -19.686 -32.095 0.138 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -16.928 -32.139 1.559 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -17.246 -31.145 0.117 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -16.637 -30.384 1.606 1.00 12.44 H new ATOM 1552 N ALA A 103 -21.295 -28.227 -1.553 1.00 35.13 N ATOM 1553 CA ALA A 103 -22.030 -27.051 -2.049 1.00 1.22 C ATOM 1554 C ALA A 103 -22.516 -27.292 -3.476 1.00 44.52 C ATOM 1555 O ALA A 103 -22.170 -28.297 -4.101 1.00 71.31 O ATOM 1556 CB ALA A 103 -21.159 -25.791 -2.030 1.00 34.24 C ATOM 0 H ALA A 103 -21.516 -29.086 -2.056 1.00 35.13 H new ATOM 0 HA ALA A 103 -22.880 -26.899 -1.384 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -21.736 -24.944 -2.403 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -20.835 -25.588 -1.009 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -20.286 -25.943 -2.664 1.00 34.24 H new ATOM 1562 N GLY A 104 -23.316 -26.358 -3.977 1.00 1.03 N ATOM 1563 CA GLY A 104 -23.769 -26.387 -5.361 1.00 34.40 C ATOM 1564 C GLY A 104 -24.083 -24.988 -5.844 1.00 2.44 C ATOM 1565 O GLY A 104 -25.124 -24.741 -6.454 1.00 60.53 O ATOM 0 H GLY A 104 -23.666 -25.565 -3.439 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -23.000 -26.832 -5.992 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -24.655 -27.015 -5.447 1.00 34.40 H new ATOM 1569 N VAL A 105 -23.164 -24.073 -5.547 1.00 75.25 N ATOM 1570 CA VAL A 105 -23.353 -22.658 -5.761 1.00 23.35 C ATOM 1571 C VAL A 105 -23.759 -22.286 -7.190 1.00 14.03 C ATOM 1572 O VAL A 105 -24.805 -21.670 -7.399 1.00 43.04 O ATOM 1573 CB VAL A 105 -22.076 -21.895 -5.335 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -21.888 -21.960 -3.820 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -20.830 -22.426 -6.052 1.00 71.45 C ATOM 0 H VAL A 105 -22.256 -24.307 -5.145 1.00 75.25 H new ATOM 0 HA VAL A 105 -24.197 -22.360 -5.139 1.00 23.35 H new ATOM 0 HB VAL A 105 -22.207 -20.853 -5.628 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -20.985 -21.417 -3.542 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -22.749 -21.508 -3.327 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -21.796 -23.001 -3.509 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -19.955 -21.864 -5.725 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -20.694 -23.481 -5.812 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -20.953 -22.312 -7.129 1.00 71.45 H new ATOM 1585 N ASP A 106 -22.953 -22.661 -8.166 1.00 34.34 N ATOM 1586 CA ASP A 106 -23.175 -22.197 -9.539 1.00 34.40 C ATOM 1587 C ASP A 106 -24.006 -23.192 -10.342 1.00 44.13 C ATOM 1588 O ASP A 106 -23.485 -24.164 -10.891 1.00 12.44 O ATOM 1589 CB ASP A 106 -21.850 -21.946 -10.270 1.00 3.44 C ATOM 1590 CG ASP A 106 -21.021 -20.822 -9.662 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -21.512 -19.672 -9.608 1.00 61.24 O ATOM 1592 OD2 ASP A 106 -19.864 -21.071 -9.262 1.00 25.55 O ATOM 0 H ASP A 106 -22.148 -23.276 -8.046 1.00 34.34 H new ATOM 0 HA ASP A 106 -23.723 -21.258 -9.461 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -21.262 -22.864 -10.264 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -22.060 -21.708 -11.313 1.00 3.44 H new ATOM 1597 N SER A 107 -25.308 -22.955 -10.374 1.00 25.45 N ATOM 1598 CA SER A 107 -26.199 -23.593 -11.335 1.00 20.22 C ATOM 1599 C SER A 107 -26.706 -22.545 -12.328 1.00 62.13 C ATOM 1600 O SER A 107 -27.010 -22.844 -13.483 1.00 71.25 O ATOM 1601 CB SER A 107 -27.369 -24.254 -10.605 1.00 31.03 C ATOM 1602 OG SER A 107 -27.937 -23.363 -9.656 1.00 63.21 O ATOM 0 H SER A 107 -25.779 -22.315 -9.735 1.00 25.45 H new ATOM 0 HA SER A 107 -25.656 -24.365 -11.880 1.00 20.22 H new ATOM 0 HB2 SER A 107 -28.128 -24.558 -11.325 1.00 31.03 H new ATOM 0 HB3 SER A 107 -27.026 -25.158 -10.102 1.00 31.03 H new ATOM 0 HG SER A 107 -28.685 -23.803 -9.201 1.00 63.21 H new ATOM 1608 N THR A 108 -26.774 -21.307 -11.851 1.00 52.43 N ATOM 1609 CA THR A 108 -27.348 -20.200 -12.610 1.00 65.30 C ATOM 1610 C THR A 108 -26.265 -19.197 -13.014 1.00 75.14 C ATOM 1611 O THR A 108 -26.512 -18.264 -13.783 1.00 15.14 O ATOM 1612 CB THR A 108 -28.445 -19.493 -11.774 1.00 33.03 C ATOM 1613 OG1 THR A 108 -29.029 -18.405 -12.508 1.00 25.35 O ATOM 1614 CG2 THR A 108 -27.878 -18.976 -10.454 1.00 32.14 C ATOM 0 H THR A 108 -26.433 -21.042 -10.927 1.00 52.43 H new ATOM 0 HA THR A 108 -27.797 -20.603 -13.518 1.00 65.30 H new ATOM 0 HB THR A 108 -29.219 -20.230 -11.560 1.00 33.03 H new ATOM 0 HG1 THR A 108 -28.405 -18.107 -13.202 1.00 25.35 H new ATOM 0 HG21 THR A 108 -28.668 -18.484 -9.886 1.00 32.14 H new ATOM 0 HG22 THR A 108 -27.482 -19.811 -9.876 1.00 32.14 H new ATOM 0 HG23 THR A 108 -27.079 -18.263 -10.656 1.00 32.14 H new ATOM 1622 N ALA A 109 -25.058 -19.413 -12.506 1.00 54.00 N ATOM 1623 CA ALA A 109 -23.930 -18.526 -12.765 1.00 24.21 C ATOM 1624 C ALA A 109 -22.748 -19.328 -13.304 1.00 11.04 C ATOM 1625 O ALA A 109 -21.590 -19.056 -12.981 1.00 23.33 O ATOM 1626 CB ALA A 109 -23.556 -17.783 -11.485 1.00 14.02 C ATOM 0 H ALA A 109 -24.833 -20.206 -11.904 1.00 54.00 H new ATOM 0 HA ALA A 109 -24.209 -17.790 -13.519 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -22.713 -17.121 -11.682 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -24.408 -17.194 -11.144 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -23.280 -18.502 -10.714 1.00 14.02 H new ATOM 1632 N LEU A 110 -23.057 -20.303 -14.155 1.00 1.22 N ATOM 1633 CA LEU A 110 -22.053 -21.212 -14.692 1.00 62.21 C ATOM 1634 C LEU A 110 -22.314 -21.406 -16.181 1.00 32.34 C ATOM 1635 O LEU A 110 -22.892 -22.411 -16.606 1.00 74.23 O ATOM 1636 CB LEU A 110 -22.100 -22.559 -13.950 1.00 35.40 C ATOM 1637 CG LEU A 110 -20.889 -23.482 -14.169 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -19.628 -22.863 -13.573 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -21.149 -24.862 -13.573 1.00 71.20 C ATOM 0 H LEU A 110 -24.004 -20.483 -14.489 1.00 1.22 H new ATOM 0 HA LEU A 110 -21.058 -20.789 -14.551 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -22.195 -22.362 -12.882 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -23.000 -23.091 -14.257 1.00 35.40 H new ATOM 0 HG LEU A 110 -20.737 -23.599 -15.242 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -18.782 -23.530 -13.738 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -19.432 -21.904 -14.052 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -19.768 -22.712 -12.503 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -20.280 -25.499 -13.739 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -21.331 -24.768 -12.502 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -22.022 -25.306 -14.051 1.00 71.20 H new ATOM 1651 N ASN A 111 -21.921 -20.410 -16.959 1.00 2.03 N ATOM 1652 CA ASN A 111 -22.253 -20.357 -18.375 1.00 51.20 C ATOM 1653 C ASN A 111 -21.071 -20.778 -19.245 1.00 3.43 C ATOM 1654 O ASN A 111 -21.251 -21.525 -20.208 1.00 20.31 O ATOM 1655 CB ASN A 111 -22.707 -18.942 -18.762 1.00 51.14 C ATOM 1656 CG ASN A 111 -23.763 -18.382 -17.825 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -24.956 -18.644 -17.989 1.00 64.14 O ATOM 1658 ND2 ASN A 111 -23.339 -17.591 -16.850 1.00 71.21 N ATOM 0 H ASN A 111 -21.366 -19.620 -16.630 1.00 2.03 H new ATOM 0 HA ASN A 111 -23.068 -21.060 -18.549 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -21.843 -18.277 -18.766 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -23.102 -18.958 -19.778 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -24.009 -17.175 -16.203 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -22.343 -17.398 -16.747 1.00 71.21 H new ATOM 1665 N ALA A 112 -19.870 -20.304 -18.895 1.00 65.35 N ATOM 1666 CA ALA A 112 -18.662 -20.554 -19.688 1.00 3.51 C ATOM 1667 C ALA A 112 -18.780 -19.896 -21.067 1.00 55.23 C ATOM 1668 O ALA A 112 -19.157 -20.587 -22.038 1.00 20.44 O ATOM 1669 CB ALA A 112 -18.384 -22.054 -19.807 1.00 24.13 C ATOM 1670 OXT ALA A 112 -18.527 -18.675 -21.159 1.00 0.00 O ATOM 0 H ALA A 112 -19.709 -19.740 -18.060 1.00 65.35 H new ATOM 0 HA ALA A 112 -17.813 -20.105 -19.172 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -17.483 -22.211 -20.400 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -18.243 -22.478 -18.813 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -19.228 -22.543 -20.293 1.00 24.13 H new TER 1676 ALA A 112