USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 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 7 HIS : no HD1:sc= 1.04 K(o=2.4,f=-5.7!) USER MOD Set 1.2: A 11 THR OG1 : rot 136:sc= 1.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0435 (180deg=-0.126) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 5 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.007) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 8 HIS : no HE2:sc= -0.352 X(o=-0.35,f=-0.85) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0593 X(o=-0.059,f=-0.05) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 28 THR OG1 : rot 94:sc= 0.92 USER MOD Single : A 40 THR OG1 : rot 34:sc= 0.221 USER MOD Single : A 42 THR OG1 : rot -93:sc= 0.816 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.418 K(o=-0.42,f=-3.6!) USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= 0.214 (180deg=-1.1!) USER MOD Single : A 54 THR OG1 : rot -80:sc= 1 USER MOD Single : A 58 SER OG : rot -78:sc= 0.72 USER MOD Single : A 59 SER OG : rot -92:sc= 0.774 USER MOD Single : A 61 GLN : amide:sc= -0.0271 X(o=-0.027,f=0.11) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 1.14 (180deg=1.01) USER MOD Single : A 73 LYS NZ :NH3+ 156:sc= 1.13 (180deg=0.53) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 152:sc= 0.865 (180deg=0.162) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 9:sc= 0.646 USER MOD Single : A 111 ASN : amide:sc= -0.495 X(o=-0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -66.117 3.151 -41.529 1.00 42.33 N ATOM 2 CA MET A 1 -65.227 2.330 -40.670 1.00 64.05 C ATOM 3 C MET A 1 -64.448 3.221 -39.708 1.00 13.42 C ATOM 4 O MET A 1 -64.249 4.408 -39.975 1.00 71.30 O ATOM 5 CB MET A 1 -64.258 1.501 -41.532 1.00 34.21 C ATOM 6 CG MET A 1 -63.385 2.334 -42.463 1.00 22.10 C ATOM 7 SD MET A 1 -62.268 1.324 -43.460 1.00 51.33 S ATOM 8 CE MET A 1 -61.549 2.573 -44.527 1.00 62.53 C ATOM 0 H1 MET A 1 -66.092 2.787 -42.503 1.00 42.33 H new ATOM 0 H2 MET A 1 -67.090 3.103 -41.166 1.00 42.33 H new ATOM 0 H3 MET A 1 -65.793 4.139 -41.521 1.00 42.33 H new ATOM 0 HA MET A 1 -65.845 1.646 -40.089 1.00 64.05 H new ATOM 0 HB2 MET A 1 -63.615 0.916 -40.875 1.00 34.21 H new ATOM 0 HB3 MET A 1 -64.834 0.793 -42.128 1.00 34.21 H new ATOM 0 HG2 MET A 1 -64.023 2.922 -43.123 1.00 22.10 H new ATOM 0 HG3 MET A 1 -62.801 3.039 -41.872 1.00 22.10 H new ATOM 0 HE1 MET A 1 -60.835 2.105 -45.205 1.00 62.53 H new ATOM 0 HE2 MET A 1 -62.337 3.054 -45.106 1.00 62.53 H new ATOM 0 HE3 MET A 1 -61.038 3.320 -43.920 1.00 62.53 H new ATOM 20 N ALA A 2 -64.008 2.646 -38.592 1.00 15.35 N ATOM 21 CA ALA A 2 -63.273 3.389 -37.575 1.00 62.22 C ATOM 22 C ALA A 2 -62.008 2.638 -37.168 1.00 54.21 C ATOM 23 O ALA A 2 -62.030 1.792 -36.273 1.00 13.45 O ATOM 24 CB ALA A 2 -64.169 3.650 -36.366 1.00 15.21 C ATOM 0 H ALA A 2 -64.150 1.661 -38.369 1.00 15.35 H new ATOM 0 HA ALA A 2 -62.970 4.349 -37.992 1.00 62.22 H new ATOM 0 HB1 ALA A 2 -63.611 4.205 -35.612 1.00 15.21 H new ATOM 0 HB2 ALA A 2 -65.038 4.231 -36.676 1.00 15.21 H new ATOM 0 HB3 ALA A 2 -64.499 2.700 -35.946 1.00 15.21 H new ATOM 30 N HIS A 3 -60.910 2.929 -37.858 1.00 62.30 N ATOM 31 CA HIS A 3 -59.626 2.286 -37.584 1.00 61.24 C ATOM 32 C HIS A 3 -58.601 3.320 -37.129 1.00 75.23 C ATOM 33 O HIS A 3 -58.322 4.282 -37.846 1.00 31.12 O ATOM 34 CB HIS A 3 -59.109 1.553 -38.833 1.00 53.45 C ATOM 35 CG HIS A 3 -60.007 0.450 -39.309 1.00 10.41 C ATOM 36 ND1 HIS A 3 -60.440 0.344 -40.614 1.00 44.13 N ATOM 37 CD2 HIS A 3 -60.544 -0.606 -38.651 1.00 54.24 C ATOM 38 CE1 HIS A 3 -61.205 -0.725 -40.736 1.00 44.22 C ATOM 39 NE2 HIS A 3 -61.284 -1.320 -39.560 1.00 52.33 N ATOM 0 H HIS A 3 -60.882 3.610 -38.616 1.00 62.30 H new ATOM 0 HA HIS A 3 -59.774 1.557 -36.787 1.00 61.24 H new ATOM 0 HB2 HIS A 3 -58.980 2.276 -39.639 1.00 53.45 H new ATOM 0 HB3 HIS A 3 -58.125 1.138 -38.617 1.00 53.45 H new ATOM 0 HD2 HIS A 3 -60.414 -0.842 -37.605 1.00 54.24 H new ATOM 0 HE1 HIS A 3 -61.685 -1.057 -41.645 1.00 44.22 H new ATOM 0 HE2 HIS A 3 -61.809 -2.171 -39.360 1.00 52.33 H new ATOM 48 N HIS A 4 -58.063 3.134 -35.928 1.00 45.44 N ATOM 49 CA HIS A 4 -56.991 3.982 -35.408 1.00 14.04 C ATOM 50 C HIS A 4 -56.043 3.149 -34.553 1.00 24.20 C ATOM 51 O HIS A 4 -56.336 1.991 -34.234 1.00 32.41 O ATOM 52 CB HIS A 4 -57.548 5.169 -34.600 1.00 31.14 C ATOM 53 CG HIS A 4 -58.140 6.252 -35.454 1.00 25.40 C ATOM 54 ND1 HIS A 4 -59.457 6.647 -35.372 1.00 41.35 N ATOM 55 CD2 HIS A 4 -57.578 7.032 -36.410 1.00 61.12 C ATOM 56 CE1 HIS A 4 -59.681 7.616 -36.238 1.00 25.52 C ATOM 57 NE2 HIS A 4 -58.557 7.870 -36.880 1.00 63.11 N ATOM 0 H HIS A 4 -58.355 2.395 -35.288 1.00 45.44 H new ATOM 0 HA HIS A 4 -56.443 4.395 -36.255 1.00 14.04 H new ATOM 0 HB2 HIS A 4 -58.310 4.803 -33.911 1.00 31.14 H new ATOM 0 HB3 HIS A 4 -56.747 5.593 -33.994 1.00 31.14 H new ATOM 0 HD2 HIS A 4 -56.550 7.000 -36.740 1.00 61.12 H new ATOM 0 HE1 HIS A 4 -60.625 8.117 -36.395 1.00 25.52 H new ATOM 0 HE2 HIS A 4 -58.436 8.575 -37.607 1.00 63.11 H new ATOM 66 N HIS A 5 -54.914 3.744 -34.174 1.00 43.15 N ATOM 67 CA HIS A 5 -53.860 3.024 -33.461 1.00 52.04 C ATOM 68 C HIS A 5 -53.187 3.915 -32.425 1.00 31.33 C ATOM 69 O HIS A 5 -52.917 5.089 -32.684 1.00 44.54 O ATOM 70 CB HIS A 5 -52.807 2.506 -34.455 1.00 13.13 C ATOM 71 CG HIS A 5 -52.179 3.590 -35.284 1.00 51.14 C ATOM 72 ND1 HIS A 5 -50.877 4.015 -35.120 1.00 45.22 N ATOM 73 CD2 HIS A 5 -52.687 4.338 -36.293 1.00 75.11 C ATOM 74 CE1 HIS A 5 -50.617 4.975 -35.988 1.00 22.22 C ATOM 75 NE2 HIS A 5 -51.697 5.188 -36.710 1.00 71.23 N ATOM 0 H HIS A 5 -54.705 4.727 -34.349 1.00 43.15 H new ATOM 0 HA HIS A 5 -54.321 2.182 -32.945 1.00 52.04 H new ATOM 0 HB2 HIS A 5 -52.026 1.983 -33.904 1.00 13.13 H new ATOM 0 HB3 HIS A 5 -53.273 1.777 -35.118 1.00 13.13 H new ATOM 0 HD2 HIS A 5 -53.688 4.276 -36.694 1.00 75.11 H new ATOM 0 HE1 HIS A 5 -49.677 5.497 -36.089 1.00 22.22 H new ATOM 0 HE2 HIS A 5 -51.783 5.875 -37.459 1.00 71.23 H new ATOM 84 N HIS A 6 -52.939 3.352 -31.248 1.00 45.44 N ATOM 85 CA HIS A 6 -52.156 4.009 -30.205 1.00 65.41 C ATOM 86 C HIS A 6 -50.957 3.138 -29.856 1.00 61.41 C ATOM 87 O HIS A 6 -51.069 1.911 -29.826 1.00 42.22 O ATOM 88 CB HIS A 6 -53.001 4.254 -28.944 1.00 63.14 C ATOM 89 CG HIS A 6 -54.098 5.260 -29.121 1.00 1.11 C ATOM 90 ND1 HIS A 6 -54.004 6.558 -28.671 1.00 42.22 N ATOM 91 CD2 HIS A 6 -55.327 5.148 -29.679 1.00 65.43 C ATOM 92 CE1 HIS A 6 -55.124 7.197 -28.942 1.00 42.01 C ATOM 93 NE2 HIS A 6 -55.946 6.366 -29.554 1.00 73.25 N ATOM 0 H HIS A 6 -53.276 2.425 -30.988 1.00 45.44 H new ATOM 0 HA HIS A 6 -51.822 4.976 -30.581 1.00 65.41 H new ATOM 0 HB2 HIS A 6 -53.439 3.308 -28.626 1.00 63.14 H new ATOM 0 HB3 HIS A 6 -52.345 4.588 -28.140 1.00 63.14 H new ATOM 0 HD2 HIS A 6 -55.743 4.263 -30.138 1.00 65.43 H new ATOM 0 HE1 HIS A 6 -55.334 8.229 -28.703 1.00 42.01 H new ATOM 0 HE2 HIS A 6 -56.886 6.592 -29.880 1.00 73.25 H new ATOM 102 N HIS A 7 -49.814 3.764 -29.599 1.00 41.25 N ATOM 103 CA HIS A 7 -48.602 3.031 -29.239 1.00 71.21 C ATOM 104 C HIS A 7 -48.748 2.437 -27.839 1.00 1.31 C ATOM 105 O HIS A 7 -48.512 3.118 -26.836 1.00 43.01 O ATOM 106 CB HIS A 7 -47.363 3.944 -29.300 1.00 4.24 C ATOM 107 CG HIS A 7 -47.001 4.400 -30.683 1.00 51.54 C ATOM 108 ND1 HIS A 7 -45.969 3.847 -31.411 1.00 41.15 N ATOM 109 CD2 HIS A 7 -47.529 5.370 -31.465 1.00 64.14 C ATOM 110 CE1 HIS A 7 -45.880 4.455 -32.578 1.00 54.14 C ATOM 111 NE2 HIS A 7 -46.817 5.382 -32.637 1.00 55.45 N ATOM 0 H HIS A 7 -49.699 4.777 -29.633 1.00 41.25 H new ATOM 0 HA HIS A 7 -48.464 2.225 -29.959 1.00 71.21 H new ATOM 0 HB2 HIS A 7 -47.540 4.820 -28.676 1.00 4.24 H new ATOM 0 HB3 HIS A 7 -46.513 3.413 -28.871 1.00 4.24 H new ATOM 0 HD2 HIS A 7 -48.358 6.015 -31.213 1.00 64.14 H new ATOM 0 HE1 HIS A 7 -45.162 4.232 -33.353 1.00 54.14 H new ATOM 0 HE2 HIS A 7 -46.985 6.006 -33.426 1.00 55.45 H new ATOM 120 N HIS A 8 -49.180 1.180 -27.777 1.00 21.43 N ATOM 121 CA HIS A 8 -49.356 0.487 -26.501 1.00 5.40 C ATOM 122 C HIS A 8 -48.044 -0.148 -26.049 1.00 12.40 C ATOM 123 O HIS A 8 -47.830 -1.348 -26.222 1.00 22.00 O ATOM 124 CB HIS A 8 -50.462 -0.577 -26.599 1.00 32.05 C ATOM 125 CG HIS A 8 -51.828 -0.008 -26.821 1.00 21.35 C ATOM 126 ND1 HIS A 8 -52.388 0.144 -28.070 1.00 12.31 N ATOM 127 CD2 HIS A 8 -52.753 0.443 -25.940 1.00 33.13 C ATOM 128 CE1 HIS A 8 -53.595 0.665 -27.947 1.00 71.32 C ATOM 129 NE2 HIS A 8 -53.841 0.856 -26.665 1.00 14.55 N ATOM 0 H HIS A 8 -49.415 0.619 -28.596 1.00 21.43 H new ATOM 0 HA HIS A 8 -49.659 1.224 -25.757 1.00 5.40 H new ATOM 0 HB2 HIS A 8 -50.226 -1.260 -27.415 1.00 32.05 H new ATOM 0 HB3 HIS A 8 -50.469 -1.167 -25.682 1.00 32.05 H new ATOM 0 HD1 HIS A 8 -51.941 -0.107 -28.952 1.00 12.31 H new ATOM 0 HD2 HIS A 8 -52.652 0.472 -24.865 1.00 33.13 H new ATOM 0 HE1 HIS A 8 -54.268 0.896 -28.760 1.00 71.32 H new ATOM 138 N MET A 9 -47.154 0.690 -25.512 1.00 14.33 N ATOM 139 CA MET A 9 -45.887 0.243 -24.919 1.00 10.20 C ATOM 140 C MET A 9 -44.980 -0.422 -25.959 1.00 4.43 C ATOM 141 O MET A 9 -44.001 -1.087 -25.609 1.00 62.05 O ATOM 142 CB MET A 9 -46.146 -0.717 -23.744 1.00 34.12 C ATOM 143 CG MET A 9 -47.164 -0.195 -22.737 1.00 74.25 C ATOM 144 SD MET A 9 -46.789 1.471 -22.154 1.00 10.14 S ATOM 145 CE MET A 9 -48.208 1.786 -21.103 1.00 71.55 C ATOM 0 H MET A 9 -47.290 1.700 -25.475 1.00 14.33 H new ATOM 0 HA MET A 9 -45.372 1.127 -24.544 1.00 10.20 H new ATOM 0 HB2 MET A 9 -46.494 -1.672 -24.137 1.00 34.12 H new ATOM 0 HB3 MET A 9 -45.205 -0.909 -23.229 1.00 34.12 H new ATOM 0 HG2 MET A 9 -48.154 -0.200 -23.194 1.00 74.25 H new ATOM 0 HG3 MET A 9 -47.203 -0.872 -21.884 1.00 74.25 H new ATOM 0 HE1 MET A 9 -48.124 2.781 -20.667 1.00 71.55 H new ATOM 0 HE2 MET A 9 -49.121 1.726 -21.696 1.00 71.55 H new ATOM 0 HE3 MET A 9 -48.243 1.042 -20.307 1.00 71.55 H new ATOM 155 N GLY A 10 -45.295 -0.213 -27.234 1.00 32.43 N ATOM 156 CA GLY A 10 -44.527 -0.811 -28.311 1.00 33.53 C ATOM 157 C GLY A 10 -43.548 0.169 -28.925 1.00 23.23 C ATOM 158 O GLY A 10 -43.291 1.234 -28.352 1.00 62.21 O ATOM 0 H GLY A 10 -46.076 0.366 -27.542 1.00 32.43 H new ATOM 0 HA2 GLY A 10 -43.983 -1.676 -27.931 1.00 33.53 H new ATOM 0 HA3 GLY A 10 -45.207 -1.175 -29.082 1.00 33.53 H new ATOM 162 N THR A 11 -42.996 -0.199 -30.082 1.00 34.53 N ATOM 163 CA THR A 11 -42.061 0.651 -30.820 1.00 13.23 C ATOM 164 C THR A 11 -40.736 0.806 -30.057 1.00 32.22 C ATOM 165 O THR A 11 -39.866 1.596 -30.433 1.00 32.32 O ATOM 166 CB THR A 11 -42.684 2.046 -31.108 1.00 72.22 C ATOM 167 OG1 THR A 11 -44.038 1.886 -31.561 1.00 34.23 O ATOM 168 CG2 THR A 11 -41.894 2.803 -32.170 1.00 74.25 C ATOM 0 H THR A 11 -43.184 -1.094 -30.534 1.00 34.53 H new ATOM 0 HA THR A 11 -41.854 0.164 -31.773 1.00 13.23 H new ATOM 0 HB THR A 11 -42.658 2.620 -30.182 1.00 72.22 H new ATOM 0 HG1 THR A 11 -44.614 2.537 -31.108 1.00 34.23 H new ATOM 0 HG21 THR A 11 -42.358 3.773 -32.346 1.00 74.25 H new ATOM 0 HG22 THR A 11 -40.869 2.947 -31.827 1.00 74.25 H new ATOM 0 HG23 THR A 11 -41.889 2.230 -33.097 1.00 74.25 H new ATOM 176 N LEU A 12 -40.564 0.007 -29.010 1.00 71.50 N ATOM 177 CA LEU A 12 -39.395 0.108 -28.145 1.00 51.12 C ATOM 178 C LEU A 12 -38.317 -0.887 -28.578 1.00 2.41 C ATOM 179 O LEU A 12 -38.601 -2.069 -28.785 1.00 51.53 O ATOM 180 CB LEU A 12 -39.797 -0.145 -26.685 1.00 41.54 C ATOM 181 CG LEU A 12 -38.660 -0.038 -25.653 1.00 1.12 C ATOM 182 CD1 LEU A 12 -38.046 1.361 -25.666 1.00 2.03 C ATOM 183 CD2 LEU A 12 -39.172 -0.393 -24.258 1.00 4.44 C ATOM 0 H LEU A 12 -41.224 -0.722 -28.739 1.00 71.50 H new ATOM 0 HA LEU A 12 -38.986 1.115 -28.230 1.00 51.12 H new ATOM 0 HB2 LEU A 12 -40.578 0.566 -26.414 1.00 41.54 H new ATOM 0 HB3 LEU A 12 -40.234 -1.141 -26.615 1.00 41.54 H new ATOM 0 HG LEU A 12 -37.881 -0.750 -25.925 1.00 1.12 H new ATOM 0 HD11 LEU A 12 -37.245 1.414 -24.929 1.00 2.03 H new ATOM 0 HD12 LEU A 12 -37.643 1.572 -26.656 1.00 2.03 H new ATOM 0 HD13 LEU A 12 -38.812 2.097 -25.422 1.00 2.03 H new ATOM 0 HD21 LEU A 12 -38.356 -0.313 -23.540 1.00 4.44 H new ATOM 0 HD22 LEU A 12 -39.971 0.294 -23.978 1.00 4.44 H new ATOM 0 HD23 LEU A 12 -39.555 -1.414 -24.260 1.00 4.44 H new ATOM 195 N GLU A 13 -37.089 -0.397 -28.728 1.00 71.43 N ATOM 196 CA GLU A 13 -35.949 -1.240 -29.086 1.00 21.04 C ATOM 197 C GLU A 13 -34.929 -1.237 -27.946 1.00 44.32 C ATOM 198 O GLU A 13 -35.246 -0.818 -26.829 1.00 71.34 O ATOM 199 CB GLU A 13 -35.311 -0.745 -30.393 1.00 3.43 C ATOM 200 CG GLU A 13 -34.710 0.658 -30.312 1.00 72.42 C ATOM 201 CD GLU A 13 -34.093 1.108 -31.629 1.00 50.02 C ATOM 202 OE1 GLU A 13 -32.970 0.661 -31.953 1.00 62.43 O ATOM 203 OE2 GLU A 13 -34.729 1.914 -32.345 1.00 21.45 O ATOM 0 H GLU A 13 -36.856 0.588 -28.606 1.00 71.43 H new ATOM 0 HA GLU A 13 -36.292 -2.262 -29.244 1.00 21.04 H new ATOM 0 HB2 GLU A 13 -34.530 -1.445 -30.689 1.00 3.43 H new ATOM 0 HB3 GLU A 13 -36.066 -0.759 -31.179 1.00 3.43 H new ATOM 0 HG2 GLU A 13 -35.486 1.365 -30.018 1.00 72.42 H new ATOM 0 HG3 GLU A 13 -33.948 0.678 -29.533 1.00 72.42 H new ATOM 210 N ALA A 14 -33.717 -1.711 -28.217 1.00 72.45 N ATOM 211 CA ALA A 14 -32.663 -1.754 -27.205 1.00 22.35 C ATOM 212 C ALA A 14 -31.872 -0.448 -27.203 1.00 63.12 C ATOM 213 O ALA A 14 -31.353 -0.033 -28.240 1.00 72.22 O ATOM 214 CB ALA A 14 -31.737 -2.943 -27.457 1.00 2.03 C ATOM 0 H ALA A 14 -33.439 -2.072 -29.130 1.00 72.45 H new ATOM 0 HA ALA A 14 -33.124 -1.876 -26.225 1.00 22.35 H new ATOM 0 HB1 ALA A 14 -30.956 -2.964 -26.697 1.00 2.03 H new ATOM 0 HB2 ALA A 14 -32.312 -3.868 -27.412 1.00 2.03 H new ATOM 0 HB3 ALA A 14 -31.281 -2.847 -28.442 1.00 2.03 H new ATOM 220 N GLN A 15 -31.796 0.203 -26.044 1.00 2.04 N ATOM 221 CA GLN A 15 -31.035 1.441 -25.909 1.00 24.44 C ATOM 222 C GLN A 15 -29.541 1.132 -25.972 1.00 22.42 C ATOM 223 O GLN A 15 -28.820 1.641 -26.836 1.00 65.33 O ATOM 224 CB GLN A 15 -31.387 2.152 -24.591 1.00 35.54 C ATOM 225 CG GLN A 15 -30.658 3.478 -24.386 1.00 1.34 C ATOM 226 CD GLN A 15 -30.902 4.466 -25.516 1.00 30.44 C ATOM 227 OE1 GLN A 15 -30.152 4.515 -26.494 1.00 73.05 O ATOM 228 NE2 GLN A 15 -31.957 5.252 -25.397 1.00 13.14 N ATOM 0 H GLN A 15 -32.252 -0.107 -25.186 1.00 2.04 H new ATOM 0 HA GLN A 15 -31.294 2.109 -26.730 1.00 24.44 H new ATOM 0 HB2 GLN A 15 -32.462 2.332 -24.563 1.00 35.54 H new ATOM 0 HB3 GLN A 15 -31.153 1.488 -23.759 1.00 35.54 H new ATOM 0 HG2 GLN A 15 -30.981 3.923 -23.445 1.00 1.34 H new ATOM 0 HG3 GLN A 15 -29.588 3.289 -24.299 1.00 1.34 H new ATOM 0 HE21 GLN A 15 -32.554 5.182 -24.573 1.00 13.14 H new ATOM 0 HE22 GLN A 15 -32.174 5.928 -26.129 1.00 13.14 H new ATOM 237 N THR A 16 -29.084 0.289 -25.052 1.00 51.14 N ATOM 238 CA THR A 16 -27.711 -0.186 -25.064 1.00 52.51 C ATOM 239 C THR A 16 -27.563 -1.262 -26.141 1.00 40.13 C ATOM 240 O THR A 16 -27.673 -2.458 -25.867 1.00 51.13 O ATOM 241 CB THR A 16 -27.293 -0.743 -23.682 1.00 11.31 C ATOM 242 OG1 THR A 16 -27.552 0.241 -22.666 1.00 65.40 O ATOM 243 CG2 THR A 16 -25.812 -1.122 -23.658 1.00 41.52 C ATOM 0 H THR A 16 -29.649 -0.079 -24.287 1.00 51.14 H new ATOM 0 HA THR A 16 -27.052 0.653 -25.289 1.00 52.51 H new ATOM 0 HB THR A 16 -27.878 -1.642 -23.489 1.00 11.31 H new ATOM 0 HG1 THR A 16 -27.288 -0.114 -21.792 1.00 65.40 H new ATOM 0 HG21 THR A 16 -25.552 -1.510 -22.673 1.00 41.52 H new ATOM 0 HG22 THR A 16 -25.620 -1.886 -24.411 1.00 41.52 H new ATOM 0 HG23 THR A 16 -25.207 -0.241 -23.873 1.00 41.52 H new ATOM 251 N GLN A 17 -27.375 -0.811 -27.378 1.00 32.42 N ATOM 252 CA GLN A 17 -27.276 -1.705 -28.525 1.00 51.23 C ATOM 253 C GLN A 17 -26.000 -2.542 -28.446 1.00 30.41 C ATOM 254 O GLN A 17 -24.911 -2.081 -28.795 1.00 31.24 O ATOM 255 CB GLN A 17 -27.336 -0.898 -29.829 1.00 54.23 C ATOM 256 CG GLN A 17 -28.638 -0.121 -29.990 1.00 74.01 C ATOM 257 CD GLN A 17 -28.683 0.720 -31.252 1.00 13.51 C ATOM 258 OE1 GLN A 17 -28.290 1.889 -31.251 1.00 30.33 O ATOM 259 NE2 GLN A 17 -29.166 0.131 -32.336 1.00 74.31 N ATOM 0 H GLN A 17 -27.288 0.178 -27.612 1.00 32.42 H new ATOM 0 HA GLN A 17 -28.122 -2.392 -28.512 1.00 51.23 H new ATOM 0 HB2 GLN A 17 -26.498 -0.202 -29.858 1.00 54.23 H new ATOM 0 HB3 GLN A 17 -27.217 -1.575 -30.675 1.00 54.23 H new ATOM 0 HG2 GLN A 17 -29.473 -0.822 -29.999 1.00 74.01 H new ATOM 0 HG3 GLN A 17 -28.776 0.527 -29.125 1.00 74.01 H new ATOM 0 HE21 GLN A 17 -29.480 -0.838 -32.293 1.00 74.31 H new ATOM 0 HE22 GLN A 17 -29.224 0.647 -33.214 1.00 74.31 H new ATOM 268 N GLY A 18 -26.155 -3.765 -27.954 1.00 45.01 N ATOM 269 CA GLY A 18 -25.037 -4.669 -27.774 1.00 32.05 C ATOM 270 C GLY A 18 -25.420 -5.841 -26.892 1.00 22.41 C ATOM 271 O GLY A 18 -26.613 -6.086 -26.683 1.00 30.02 O ATOM 0 H GLY A 18 -27.055 -4.152 -27.671 1.00 45.01 H new ATOM 0 HA2 GLY A 18 -24.701 -5.035 -28.744 1.00 32.05 H new ATOM 0 HA3 GLY A 18 -24.200 -4.132 -27.328 1.00 32.05 H new ATOM 275 N PRO A 19 -24.440 -6.588 -26.348 1.00 55.32 N ATOM 276 CA PRO A 19 -24.715 -7.724 -25.461 1.00 11.14 C ATOM 277 C PRO A 19 -25.460 -7.279 -24.202 1.00 0.34 C ATOM 278 O PRO A 19 -24.979 -6.413 -23.466 1.00 64.54 O ATOM 279 CB PRO A 19 -23.315 -8.267 -25.111 1.00 61.35 C ATOM 280 CG PRO A 19 -22.410 -7.710 -26.160 1.00 20.44 C ATOM 281 CD PRO A 19 -22.996 -6.381 -26.546 1.00 71.31 C ATOM 0 HA PRO A 19 -25.354 -8.473 -25.929 1.00 11.14 H new ATOM 0 HB2 PRO A 19 -23.007 -7.950 -24.115 1.00 61.35 H new ATOM 0 HB3 PRO A 19 -23.302 -9.357 -25.117 1.00 61.35 H new ATOM 0 HG2 PRO A 19 -21.395 -7.594 -25.779 1.00 20.44 H new ATOM 0 HG3 PRO A 19 -22.353 -8.376 -27.021 1.00 20.44 H new ATOM 0 HD2 PRO A 19 -22.614 -5.574 -25.921 1.00 71.31 H new ATOM 0 HD3 PRO A 19 -22.763 -6.121 -27.579 1.00 71.31 H new ATOM 289 N GLY A 20 -26.634 -7.861 -23.969 1.00 10.05 N ATOM 290 CA GLY A 20 -27.442 -7.495 -22.817 1.00 74.10 C ATOM 291 C GLY A 20 -26.915 -8.096 -21.528 1.00 65.13 C ATOM 292 O GLY A 20 -27.592 -8.895 -20.876 1.00 74.44 O ATOM 0 H GLY A 20 -27.042 -8.584 -24.561 1.00 10.05 H new ATOM 0 HA2 GLY A 20 -27.468 -6.409 -22.725 1.00 74.10 H new ATOM 0 HA3 GLY A 20 -28.468 -7.826 -22.976 1.00 74.10 H new ATOM 296 N SER A 21 -25.702 -7.702 -21.159 1.00 30.53 N ATOM 297 CA SER A 21 -25.053 -8.193 -19.947 1.00 4.43 C ATOM 298 C SER A 21 -24.140 -7.105 -19.352 1.00 25.13 C ATOM 299 O SER A 21 -24.319 -6.730 -18.192 1.00 5.22 O ATOM 300 CB SER A 21 -24.287 -9.499 -20.228 1.00 44.22 C ATOM 301 OG SER A 21 -25.135 -10.471 -20.819 1.00 33.34 O ATOM 0 H SER A 21 -25.141 -7.035 -21.689 1.00 30.53 H new ATOM 0 HA SER A 21 -25.818 -8.424 -19.205 1.00 4.43 H new ATOM 0 HB2 SER A 21 -23.445 -9.295 -20.890 1.00 44.22 H new ATOM 0 HB3 SER A 21 -23.874 -9.889 -19.298 1.00 44.22 H new ATOM 0 HG SER A 21 -24.625 -11.290 -20.989 1.00 33.34 H new ATOM 307 N PRO A 22 -23.147 -6.566 -20.111 1.00 74.53 N ATOM 308 CA PRO A 22 -22.373 -5.410 -19.646 1.00 53.05 C ATOM 309 C PRO A 22 -23.217 -4.134 -19.682 1.00 14.45 C ATOM 310 O PRO A 22 -23.099 -3.314 -20.595 1.00 2.32 O ATOM 311 CB PRO A 22 -21.197 -5.332 -20.632 1.00 32.50 C ATOM 312 CG PRO A 22 -21.718 -5.959 -21.882 1.00 73.23 C ATOM 313 CD PRO A 22 -22.672 -7.039 -21.436 1.00 50.00 C ATOM 0 HA PRO A 22 -22.043 -5.512 -18.612 1.00 53.05 H new ATOM 0 HB2 PRO A 22 -20.890 -4.300 -20.803 1.00 32.50 H new ATOM 0 HB3 PRO A 22 -20.325 -5.865 -20.253 1.00 32.50 H new ATOM 0 HG2 PRO A 22 -22.225 -5.223 -22.506 1.00 73.23 H new ATOM 0 HG3 PRO A 22 -20.906 -6.377 -22.477 1.00 73.23 H new ATOM 0 HD2 PRO A 22 -23.497 -7.158 -22.138 1.00 50.00 H new ATOM 0 HD3 PRO A 22 -22.175 -8.006 -21.361 1.00 50.00 H new ATOM 321 N GLU A 23 -24.101 -4.000 -18.700 1.00 31.13 N ATOM 322 CA GLU A 23 -25.003 -2.854 -18.614 1.00 2.43 C ATOM 323 C GLU A 23 -24.359 -1.715 -17.828 1.00 50.22 C ATOM 324 O GLU A 23 -23.577 -1.950 -16.900 1.00 63.33 O ATOM 325 CB GLU A 23 -26.325 -3.269 -17.958 1.00 32.34 C ATOM 326 CG GLU A 23 -27.066 -4.366 -18.716 1.00 31.05 C ATOM 327 CD GLU A 23 -28.377 -4.748 -18.051 1.00 11.01 C ATOM 328 OE1 GLU A 23 -28.370 -5.647 -17.182 1.00 31.24 O ATOM 329 OE2 GLU A 23 -29.419 -4.139 -18.380 1.00 72.13 O ATOM 0 H GLU A 23 -24.214 -4.677 -17.945 1.00 31.13 H new ATOM 0 HA GLU A 23 -25.205 -2.501 -19.625 1.00 2.43 H new ATOM 0 HB2 GLU A 23 -26.125 -3.612 -16.943 1.00 32.34 H new ATOM 0 HB3 GLU A 23 -26.971 -2.395 -17.878 1.00 32.34 H new ATOM 0 HG2 GLU A 23 -27.263 -4.030 -19.734 1.00 31.05 H new ATOM 0 HG3 GLU A 23 -26.429 -5.247 -18.789 1.00 31.05 H new ATOM 336 N GLY A 24 -24.700 -0.485 -18.203 1.00 33.14 N ATOM 337 CA GLY A 24 -24.149 0.685 -17.539 1.00 73.02 C ATOM 338 C GLY A 24 -22.707 0.947 -17.932 1.00 74.44 C ATOM 339 O GLY A 24 -21.937 1.530 -17.164 1.00 72.20 O ATOM 0 H GLY A 24 -25.352 -0.277 -18.959 1.00 33.14 H new ATOM 0 HA2 GLY A 24 -24.754 1.558 -17.785 1.00 73.02 H new ATOM 0 HA3 GLY A 24 -24.210 0.549 -16.459 1.00 73.02 H new ATOM 343 N VAL A 25 -22.337 0.505 -19.128 1.00 72.40 N ATOM 344 CA VAL A 25 -20.986 0.709 -19.648 1.00 22.33 C ATOM 345 C VAL A 25 -20.987 1.806 -20.712 1.00 61.30 C ATOM 346 O VAL A 25 -22.008 2.039 -21.365 1.00 30.12 O ATOM 347 CB VAL A 25 -20.405 -0.596 -20.257 1.00 54.23 C ATOM 348 CG1 VAL A 25 -20.358 -1.708 -19.210 1.00 44.42 C ATOM 349 CG2 VAL A 25 -21.202 -1.032 -21.487 1.00 24.31 C ATOM 0 H VAL A 25 -22.957 -0.000 -19.761 1.00 72.40 H new ATOM 0 HA VAL A 25 -20.356 1.009 -18.810 1.00 22.33 H new ATOM 0 HB VAL A 25 -19.384 -0.392 -20.579 1.00 54.23 H new ATOM 0 HG11 VAL A 25 -19.948 -2.613 -19.658 1.00 44.42 H new ATOM 0 HG12 VAL A 25 -19.727 -1.397 -18.377 1.00 44.42 H new ATOM 0 HG13 VAL A 25 -21.366 -1.908 -18.846 1.00 44.42 H new ATOM 0 HG21 VAL A 25 -20.773 -1.948 -21.893 1.00 24.31 H new ATOM 0 HG22 VAL A 25 -22.239 -1.211 -21.204 1.00 24.31 H new ATOM 0 HG23 VAL A 25 -21.163 -0.248 -22.243 1.00 24.31 H new ATOM 359 N PRO A 26 -19.864 2.530 -20.867 1.00 53.20 N ATOM 360 CA PRO A 26 -19.700 3.511 -21.937 1.00 53.23 C ATOM 361 C PRO A 26 -19.208 2.850 -23.228 1.00 63.22 C ATOM 362 O PRO A 26 -18.496 1.844 -23.176 1.00 4.41 O ATOM 363 CB PRO A 26 -18.636 4.453 -21.364 1.00 71.45 C ATOM 364 CG PRO A 26 -17.776 3.574 -20.515 1.00 61.30 C ATOM 365 CD PRO A 26 -18.669 2.467 -19.995 1.00 20.30 C ATOM 0 HA PRO A 26 -20.629 4.013 -22.208 1.00 53.23 H new ATOM 0 HB2 PRO A 26 -18.058 4.928 -22.157 1.00 71.45 H new ATOM 0 HB3 PRO A 26 -19.088 5.252 -20.777 1.00 71.45 H new ATOM 0 HG2 PRO A 26 -16.949 3.164 -21.095 1.00 61.30 H new ATOM 0 HG3 PRO A 26 -17.339 4.138 -19.691 1.00 61.30 H new ATOM 0 HD2 PRO A 26 -18.179 1.496 -20.059 1.00 20.30 H new ATOM 0 HD3 PRO A 26 -18.930 2.623 -18.948 1.00 20.30 H new ATOM 373 N PRO A 27 -19.600 3.382 -24.403 1.00 22.12 N ATOM 374 CA PRO A 27 -19.121 2.871 -25.695 1.00 12.14 C ATOM 375 C PRO A 27 -17.592 2.872 -25.770 1.00 32.44 C ATOM 376 O PRO A 27 -16.967 3.901 -26.044 1.00 51.44 O ATOM 377 CB PRO A 27 -19.729 3.841 -26.719 1.00 2.02 C ATOM 378 CG PRO A 27 -20.916 4.424 -26.028 1.00 33.14 C ATOM 379 CD PRO A 27 -20.543 4.503 -24.571 1.00 24.33 C ATOM 0 HA PRO A 27 -19.414 1.835 -25.868 1.00 12.14 H new ATOM 0 HB2 PRO A 27 -19.016 4.615 -27.003 1.00 2.02 H new ATOM 0 HB3 PRO A 27 -20.018 3.322 -27.633 1.00 2.02 H new ATOM 0 HG2 PRO A 27 -21.154 5.411 -26.425 1.00 33.14 H new ATOM 0 HG3 PRO A 27 -21.798 3.801 -26.173 1.00 33.14 H new ATOM 0 HD2 PRO A 27 -20.080 5.459 -24.325 1.00 24.33 H new ATOM 0 HD3 PRO A 27 -21.415 4.396 -23.926 1.00 24.33 H new ATOM 387 N THR A 28 -17.000 1.724 -25.476 1.00 45.53 N ATOM 388 CA THR A 28 -15.557 1.568 -25.490 1.00 23.35 C ATOM 389 C THR A 28 -15.046 1.282 -26.901 1.00 32.41 C ATOM 390 O THR A 28 -15.766 0.715 -27.730 1.00 52.34 O ATOM 391 CB THR A 28 -15.128 0.431 -24.533 1.00 42.45 C ATOM 392 OG1 THR A 28 -15.982 -0.709 -24.726 1.00 3.44 O ATOM 393 CG2 THR A 28 -15.194 0.878 -23.075 1.00 14.13 C ATOM 0 H THR A 28 -17.507 0.877 -25.222 1.00 45.53 H new ATOM 0 HA THR A 28 -15.117 2.506 -25.150 1.00 23.35 H new ATOM 0 HB THR A 28 -14.096 0.166 -24.761 1.00 42.45 H new ATOM 0 HG1 THR A 28 -15.567 -1.324 -25.367 1.00 3.44 H new ATOM 0 HG21 THR A 28 -14.886 0.056 -22.428 1.00 14.13 H new ATOM 0 HG22 THR A 28 -14.528 1.727 -22.924 1.00 14.13 H new ATOM 0 HG23 THR A 28 -16.215 1.170 -22.830 1.00 14.13 H new ATOM 401 N ASP A 29 -13.804 1.684 -27.168 1.00 43.22 N ATOM 402 CA ASP A 29 -13.169 1.435 -28.462 1.00 33.15 C ATOM 403 C ASP A 29 -12.876 -0.051 -28.635 1.00 10.15 C ATOM 404 O ASP A 29 -12.705 -0.541 -29.753 1.00 40.43 O ATOM 405 CB ASP A 29 -11.864 2.235 -28.593 1.00 41.45 C ATOM 406 CG ASP A 29 -12.092 3.738 -28.579 1.00 41.33 C ATOM 407 OD1 ASP A 29 -12.545 4.283 -29.609 1.00 53.41 O ATOM 408 OD2 ASP A 29 -11.825 4.381 -27.538 1.00 72.33 O ATOM 0 H ASP A 29 -13.215 2.185 -26.503 1.00 43.22 H new ATOM 0 HA ASP A 29 -13.859 1.758 -29.241 1.00 33.15 H new ATOM 0 HB2 ASP A 29 -11.194 1.966 -27.776 1.00 41.45 H new ATOM 0 HB3 ASP A 29 -11.364 1.956 -29.520 1.00 41.45 H new ATOM 413 N ARG A 30 -12.809 -0.759 -27.515 1.00 41.34 N ATOM 414 CA ARG A 30 -12.521 -2.191 -27.514 1.00 50.12 C ATOM 415 C ARG A 30 -13.782 -2.989 -27.197 1.00 1.41 C ATOM 416 O ARG A 30 -14.720 -2.463 -26.597 1.00 73.43 O ATOM 417 CB ARG A 30 -11.405 -2.503 -26.506 1.00 54.12 C ATOM 418 CG ARG A 30 -10.113 -1.744 -26.797 1.00 21.54 C ATOM 419 CD ARG A 30 -9.586 -2.054 -28.196 1.00 40.24 C ATOM 420 NE ARG A 30 -8.710 -0.995 -28.701 1.00 70.52 N ATOM 421 CZ ARG A 30 -8.908 -0.360 -29.858 1.00 52.34 C ATOM 422 NH1 ARG A 30 -9.942 -0.684 -30.629 1.00 32.25 N ATOM 423 NH2 ARG A 30 -8.078 0.601 -30.243 1.00 22.53 N ATOM 0 H ARG A 30 -12.951 -0.362 -26.586 1.00 41.34 H new ATOM 0 HA ARG A 30 -12.179 -2.483 -28.507 1.00 50.12 H new ATOM 0 HB2 ARG A 30 -11.749 -2.254 -25.502 1.00 54.12 H new ATOM 0 HB3 ARG A 30 -11.202 -3.574 -26.516 1.00 54.12 H new ATOM 0 HG2 ARG A 30 -10.290 -0.673 -26.703 1.00 21.54 H new ATOM 0 HG3 ARG A 30 -9.359 -2.009 -26.056 1.00 21.54 H new ATOM 0 HD2 ARG A 30 -9.040 -2.997 -28.177 1.00 40.24 H new ATOM 0 HD3 ARG A 30 -10.426 -2.186 -28.878 1.00 40.24 H new ATOM 0 HE ARG A 30 -7.903 -0.728 -28.137 1.00 70.52 H new ATOM 0 HH11 ARG A 30 -10.586 -1.419 -30.336 1.00 32.25 H new ATOM 0 HH12 ARG A 30 -10.091 -0.197 -31.513 1.00 32.25 H new ATOM 0 HH21 ARG A 30 -7.285 0.857 -29.654 1.00 22.53 H new ATOM 0 HH22 ARG A 30 -8.233 1.084 -31.128 1.00 22.53 H new ATOM 437 N PHE A 31 -13.798 -4.253 -27.610 1.00 5.02 N ATOM 438 CA PHE A 31 -14.970 -5.110 -27.441 1.00 30.21 C ATOM 439 C PHE A 31 -15.249 -5.371 -25.959 1.00 11.12 C ATOM 440 O PHE A 31 -14.319 -5.575 -25.177 1.00 60.42 O ATOM 441 CB PHE A 31 -14.769 -6.442 -28.180 1.00 54.15 C ATOM 442 CG PHE A 31 -14.495 -6.274 -29.655 1.00 41.22 C ATOM 443 CD1 PHE A 31 -15.466 -5.753 -30.500 1.00 64.33 C ATOM 444 CD2 PHE A 31 -13.265 -6.627 -30.195 1.00 24.24 C ATOM 445 CE1 PHE A 31 -15.215 -5.592 -31.851 1.00 34.10 C ATOM 446 CE2 PHE A 31 -13.011 -6.467 -31.544 1.00 62.10 C ATOM 447 CZ PHE A 31 -13.987 -5.950 -32.371 1.00 23.03 C ATOM 0 H PHE A 31 -13.008 -4.710 -28.067 1.00 5.02 H new ATOM 0 HA PHE A 31 -15.830 -4.593 -27.867 1.00 30.21 H new ATOM 0 HB2 PHE A 31 -13.939 -6.981 -27.723 1.00 54.15 H new ATOM 0 HB3 PHE A 31 -15.659 -7.058 -28.051 1.00 54.15 H new ATOM 0 HD1 PHE A 31 -16.428 -5.470 -30.098 1.00 64.33 H new ATOM 0 HD2 PHE A 31 -12.497 -7.032 -29.552 1.00 24.24 H new ATOM 0 HE1 PHE A 31 -15.979 -5.187 -32.498 1.00 34.10 H new ATOM 0 HE2 PHE A 31 -12.050 -6.746 -31.950 1.00 62.10 H new ATOM 0 HZ PHE A 31 -13.790 -5.825 -33.426 1.00 23.03 H new ATOM 457 N PRO A 32 -16.537 -5.371 -25.557 1.00 23.40 N ATOM 458 CA PRO A 32 -16.934 -5.628 -24.163 1.00 61.21 C ATOM 459 C PRO A 32 -16.709 -7.089 -23.753 1.00 12.12 C ATOM 460 O PRO A 32 -16.926 -7.461 -22.600 1.00 45.31 O ATOM 461 CB PRO A 32 -18.432 -5.276 -24.150 1.00 34.33 C ATOM 462 CG PRO A 32 -18.882 -5.472 -25.558 1.00 12.11 C ATOM 463 CD PRO A 32 -17.706 -5.104 -26.426 1.00 51.11 C ATOM 0 HA PRO A 32 -16.345 -5.047 -23.453 1.00 61.21 H new ATOM 0 HB2 PRO A 32 -18.984 -5.920 -23.465 1.00 34.33 H new ATOM 0 HB3 PRO A 32 -18.594 -4.249 -23.822 1.00 34.33 H new ATOM 0 HG2 PRO A 32 -19.186 -6.505 -25.730 1.00 12.11 H new ATOM 0 HG3 PRO A 32 -19.744 -4.844 -25.783 1.00 12.11 H new ATOM 0 HD2 PRO A 32 -17.675 -5.704 -27.335 1.00 51.11 H new ATOM 0 HD3 PRO A 32 -17.746 -4.059 -26.735 1.00 51.11 H new ATOM 471 N LEU A 33 -16.285 -7.911 -24.709 1.00 21.14 N ATOM 472 CA LEU A 33 -15.985 -9.315 -24.447 1.00 43.40 C ATOM 473 C LEU A 33 -14.529 -9.461 -24.007 1.00 31.24 C ATOM 474 O LEU A 33 -13.619 -8.946 -24.662 1.00 3.30 O ATOM 475 CB LEU A 33 -16.249 -10.179 -25.698 1.00 65.01 C ATOM 476 CG LEU A 33 -17.724 -10.294 -26.141 1.00 10.43 C ATOM 477 CD1 LEU A 33 -18.241 -8.970 -26.703 1.00 12.42 C ATOM 478 CD2 LEU A 33 -17.892 -11.415 -27.167 1.00 72.02 C ATOM 0 H LEU A 33 -16.141 -7.626 -25.678 1.00 21.14 H new ATOM 0 HA LEU A 33 -16.640 -9.664 -23.649 1.00 43.40 H new ATOM 0 HB2 LEU A 33 -15.672 -9.769 -26.527 1.00 65.01 H new ATOM 0 HB3 LEU A 33 -15.867 -11.182 -25.510 1.00 65.01 H new ATOM 0 HG LEU A 33 -18.318 -10.537 -25.260 1.00 10.43 H new ATOM 0 HD11 LEU A 33 -19.282 -9.085 -27.006 1.00 12.42 H new ATOM 0 HD12 LEU A 33 -18.169 -8.197 -25.938 1.00 12.42 H new ATOM 0 HD13 LEU A 33 -17.642 -8.683 -27.567 1.00 12.42 H new ATOM 0 HD21 LEU A 33 -18.938 -11.480 -27.467 1.00 72.02 H new ATOM 0 HD22 LEU A 33 -17.277 -11.203 -28.041 1.00 72.02 H new ATOM 0 HD23 LEU A 33 -17.581 -12.362 -26.725 1.00 72.02 H new ATOM 490 N LEU A 34 -14.310 -10.164 -22.901 1.00 14.54 N ATOM 491 CA LEU A 34 -12.967 -10.355 -22.355 1.00 1.15 C ATOM 492 C LEU A 34 -12.327 -11.618 -22.939 1.00 23.24 C ATOM 493 O LEU A 34 -11.513 -12.274 -22.291 1.00 75.43 O ATOM 494 CB LEU A 34 -13.018 -10.447 -20.816 1.00 54.33 C ATOM 495 CG LEU A 34 -13.533 -9.199 -20.071 1.00 63.34 C ATOM 496 CD1 LEU A 34 -12.791 -7.944 -20.533 1.00 52.15 C ATOM 497 CD2 LEU A 34 -15.047 -9.041 -20.231 1.00 55.35 C ATOM 0 H LEU A 34 -15.049 -10.614 -22.361 1.00 14.54 H new ATOM 0 HA LEU A 34 -12.358 -9.495 -22.632 1.00 1.15 H new ATOM 0 HB2 LEU A 34 -13.651 -11.292 -20.545 1.00 54.33 H new ATOM 0 HB3 LEU A 34 -12.015 -10.671 -20.454 1.00 54.33 H new ATOM 0 HG LEU A 34 -13.330 -9.336 -19.009 1.00 63.34 H new ATOM 0 HD11 LEU A 34 -13.172 -7.077 -19.993 1.00 52.15 H new ATOM 0 HD12 LEU A 34 -11.726 -8.057 -20.333 1.00 52.15 H new ATOM 0 HD13 LEU A 34 -12.946 -7.803 -21.603 1.00 52.15 H new ATOM 0 HD21 LEU A 34 -15.379 -8.152 -19.694 1.00 55.35 H new ATOM 0 HD22 LEU A 34 -15.293 -8.939 -21.288 1.00 55.35 H new ATOM 0 HD23 LEU A 34 -15.549 -9.919 -19.825 1.00 55.35 H new ATOM 509 N ALA A 35 -12.681 -11.931 -24.185 1.00 40.20 N ATOM 510 CA ALA A 35 -12.204 -13.144 -24.852 1.00 32.23 C ATOM 511 C ALA A 35 -10.887 -12.892 -25.587 1.00 54.11 C ATOM 512 O ALA A 35 -10.438 -13.723 -26.380 1.00 20.41 O ATOM 513 CB ALA A 35 -13.266 -13.661 -25.817 1.00 0.34 C ATOM 0 H ALA A 35 -13.301 -11.357 -24.757 1.00 40.20 H new ATOM 0 HA ALA A 35 -12.018 -13.901 -24.091 1.00 32.23 H new ATOM 0 HB1 ALA A 35 -12.903 -14.563 -26.309 1.00 0.34 H new ATOM 0 HB2 ALA A 35 -14.178 -13.890 -25.266 1.00 0.34 H new ATOM 0 HB3 ALA A 35 -13.478 -12.899 -26.567 1.00 0.34 H new ATOM 519 N LEU A 36 -10.275 -11.747 -25.323 1.00 11.44 N ATOM 520 CA LEU A 36 -8.992 -11.401 -25.930 1.00 70.21 C ATOM 521 C LEU A 36 -7.860 -11.704 -24.955 1.00 54.41 C ATOM 522 O LEU A 36 -8.010 -11.513 -23.747 1.00 32.22 O ATOM 523 CB LEU A 36 -8.955 -9.921 -26.353 1.00 21.24 C ATOM 524 CG LEU A 36 -9.867 -9.542 -27.538 1.00 12.54 C ATOM 525 CD1 LEU A 36 -11.345 -9.608 -27.155 1.00 32.02 C ATOM 526 CD2 LEU A 36 -9.506 -8.157 -28.073 1.00 4.31 C ATOM 0 H LEU A 36 -10.645 -11.038 -24.691 1.00 11.44 H new ATOM 0 HA LEU A 36 -8.864 -12.006 -26.828 1.00 70.21 H new ATOM 0 HB2 LEU A 36 -9.233 -9.310 -25.494 1.00 21.24 H new ATOM 0 HB3 LEU A 36 -7.928 -9.661 -26.611 1.00 21.24 H new ATOM 0 HG LEU A 36 -9.702 -10.273 -28.329 1.00 12.54 H new ATOM 0 HD11 LEU A 36 -11.956 -9.335 -28.015 1.00 32.02 H new ATOM 0 HD12 LEU A 36 -11.594 -10.621 -26.840 1.00 32.02 H new ATOM 0 HD13 LEU A 36 -11.540 -8.915 -26.336 1.00 32.02 H new ATOM 0 HD21 LEU A 36 -10.160 -7.908 -28.908 1.00 4.31 H new ATOM 0 HD22 LEU A 36 -9.630 -7.418 -27.282 1.00 4.31 H new ATOM 0 HD23 LEU A 36 -8.470 -8.156 -28.411 1.00 4.31 H new ATOM 538 N LEU A 37 -6.731 -12.177 -25.481 1.00 13.52 N ATOM 539 CA LEU A 37 -5.602 -12.576 -24.645 1.00 21.25 C ATOM 540 C LEU A 37 -5.035 -11.384 -23.871 1.00 14.11 C ATOM 541 O LEU A 37 -4.180 -10.647 -24.365 1.00 53.31 O ATOM 542 CB LEU A 37 -4.497 -13.255 -25.476 1.00 71.04 C ATOM 543 CG LEU A 37 -4.794 -14.701 -25.925 1.00 45.01 C ATOM 544 CD1 LEU A 37 -5.940 -14.752 -26.933 1.00 73.25 C ATOM 545 CD2 LEU A 37 -3.536 -15.353 -26.499 1.00 10.31 C ATOM 0 H LEU A 37 -6.575 -12.293 -26.482 1.00 13.52 H new ATOM 0 HA LEU A 37 -5.976 -13.303 -23.924 1.00 21.25 H new ATOM 0 HB2 LEU A 37 -4.310 -12.649 -26.363 1.00 71.04 H new ATOM 0 HB3 LEU A 37 -3.577 -13.257 -24.892 1.00 71.04 H new ATOM 0 HG LEU A 37 -5.107 -15.264 -25.046 1.00 45.01 H new ATOM 0 HD11 LEU A 37 -6.121 -15.786 -27.226 1.00 73.25 H new ATOM 0 HD12 LEU A 37 -6.842 -14.341 -26.480 1.00 73.25 H new ATOM 0 HD13 LEU A 37 -5.677 -14.166 -27.813 1.00 73.25 H new ATOM 0 HD21 LEU A 37 -3.764 -16.372 -26.810 1.00 10.31 H new ATOM 0 HD22 LEU A 37 -3.189 -14.780 -27.359 1.00 10.31 H new ATOM 0 HD23 LEU A 37 -2.756 -15.372 -25.737 1.00 10.31 H new ATOM 557 N ARG A 38 -5.556 -11.191 -22.669 1.00 2.14 N ATOM 558 CA ARG A 38 -5.067 -10.188 -21.728 1.00 45.54 C ATOM 559 C ARG A 38 -4.788 -10.880 -20.396 1.00 2.05 C ATOM 560 O ARG A 38 -4.606 -12.095 -20.366 1.00 21.04 O ATOM 561 CB ARG A 38 -6.115 -9.075 -21.550 1.00 41.41 C ATOM 562 CG ARG A 38 -6.370 -8.233 -22.801 1.00 14.00 C ATOM 563 CD ARG A 38 -5.261 -7.210 -23.060 1.00 71.31 C ATOM 564 NE ARG A 38 -3.974 -7.831 -23.402 1.00 2.14 N ATOM 565 CZ ARG A 38 -2.836 -7.148 -23.581 1.00 52.02 C ATOM 566 NH1 ARG A 38 -2.818 -5.825 -23.454 1.00 34.34 N ATOM 567 NH2 ARG A 38 -1.712 -7.792 -23.872 1.00 41.24 N ATOM 0 H ARG A 38 -6.342 -11.734 -22.312 1.00 2.14 H new ATOM 0 HA ARG A 38 -4.153 -9.730 -22.105 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -7.055 -9.527 -21.235 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -5.792 -8.416 -20.744 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -6.461 -8.891 -23.665 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -7.322 -7.712 -22.696 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -5.566 -6.549 -23.872 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -5.134 -6.588 -22.174 1.00 71.31 H new ATOM 0 HE ARG A 38 -3.946 -8.845 -23.510 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -3.675 -5.324 -23.219 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -1.948 -5.311 -23.592 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -1.714 -8.808 -23.960 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -0.846 -7.271 -24.008 1.00 41.24 H new ATOM 581 N ARG A 39 -4.739 -10.123 -19.305 1.00 13.43 N ATOM 582 CA ARG A 39 -4.647 -10.731 -17.978 1.00 31.22 C ATOM 583 C ARG A 39 -6.028 -11.185 -17.526 1.00 12.54 C ATOM 584 O ARG A 39 -6.171 -12.095 -16.715 1.00 64.51 O ATOM 585 CB ARG A 39 -4.116 -9.747 -16.937 1.00 71.22 C ATOM 586 CG ARG A 39 -2.734 -9.177 -17.215 1.00 25.23 C ATOM 587 CD ARG A 39 -2.247 -8.389 -16.004 1.00 12.21 C ATOM 588 NE ARG A 39 -0.874 -7.900 -16.134 1.00 64.14 N ATOM 589 CZ ARG A 39 -0.280 -7.124 -15.219 1.00 40.21 C ATOM 590 NH1 ARG A 39 -0.967 -6.702 -14.161 1.00 72.51 N ATOM 591 NH2 ARG A 39 0.985 -6.756 -15.369 1.00 72.23 N ATOM 0 H ARG A 39 -4.761 -9.103 -19.309 1.00 13.43 H new ATOM 0 HA ARG A 39 -3.959 -11.573 -18.056 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -4.820 -8.919 -16.853 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -4.095 -10.247 -15.969 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -2.036 -9.984 -17.440 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -2.767 -8.530 -18.092 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -2.912 -7.540 -15.842 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -2.316 -9.021 -15.119 1.00 12.21 H new ATOM 0 HE ARG A 39 -0.343 -8.164 -16.964 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -1.945 -6.970 -14.048 1.00 72.51 H new ATOM 0 HH12 ARG A 39 -0.516 -6.111 -13.463 1.00 72.51 H new ATOM 0 HH21 ARG A 39 1.512 -7.064 -16.186 1.00 72.23 H new ATOM 0 HH22 ARG A 39 1.431 -6.165 -14.668 1.00 72.23 H new ATOM 605 N THR A 40 -7.034 -10.507 -18.053 1.00 21.32 N ATOM 606 CA THR A 40 -8.412 -10.682 -17.618 1.00 31.44 C ATOM 607 C THR A 40 -8.929 -12.097 -17.870 1.00 32.23 C ATOM 608 O THR A 40 -9.129 -12.508 -19.017 1.00 70.14 O ATOM 609 CB THR A 40 -9.346 -9.676 -18.322 1.00 25.32 C ATOM 610 OG1 THR A 40 -9.126 -9.715 -19.741 1.00 2.42 O ATOM 611 CG2 THR A 40 -9.126 -8.256 -17.806 1.00 5.33 C ATOM 0 H THR A 40 -6.919 -9.818 -18.796 1.00 21.32 H new ATOM 0 HA THR A 40 -8.415 -10.502 -16.543 1.00 31.44 H new ATOM 0 HB THR A 40 -10.374 -9.962 -18.101 1.00 25.32 H new ATOM 0 HG1 THR A 40 -8.901 -10.629 -20.012 1.00 2.42 H new ATOM 0 HG21 THR A 40 -9.800 -7.573 -18.323 1.00 5.33 H new ATOM 0 HG22 THR A 40 -9.327 -8.223 -16.735 1.00 5.33 H new ATOM 0 HG23 THR A 40 -8.094 -7.957 -17.991 1.00 5.33 H new ATOM 619 N LEU A 41 -9.150 -12.828 -16.785 1.00 51.33 N ATOM 620 CA LEU A 41 -9.768 -14.144 -16.856 1.00 34.14 C ATOM 621 C LEU A 41 -11.279 -13.995 -16.992 1.00 43.22 C ATOM 622 O LEU A 41 -11.977 -13.771 -15.999 1.00 22.33 O ATOM 623 CB LEU A 41 -9.443 -14.997 -15.607 1.00 61.14 C ATOM 624 CG LEU A 41 -8.184 -15.879 -15.694 1.00 40.42 C ATOM 625 CD1 LEU A 41 -6.946 -15.038 -15.976 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.008 -16.687 -14.409 1.00 50.44 C ATOM 0 H LEU A 41 -8.908 -12.529 -15.840 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.362 -14.656 -17.728 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.334 -14.327 -14.754 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.298 -15.640 -15.400 1.00 61.14 H new ATOM 0 HG LEU A 41 -8.313 -16.574 -16.524 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -6.071 -15.686 -16.032 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -7.071 -14.513 -16.923 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -6.809 -14.312 -15.174 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -7.114 -17.305 -14.487 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -7.907 -16.007 -13.563 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -8.878 -17.326 -14.259 1.00 50.44 H new ATOM 638 N THR A 42 -11.773 -14.065 -18.222 1.00 31.45 N ATOM 639 CA THR A 42 -13.206 -14.158 -18.453 1.00 23.21 C ATOM 640 C THR A 42 -13.662 -15.533 -17.958 1.00 63.23 C ATOM 641 O THR A 42 -12.817 -16.407 -17.737 1.00 44.05 O ATOM 642 CB THR A 42 -13.551 -13.953 -19.955 1.00 20.41 C ATOM 643 OG1 THR A 42 -14.892 -13.478 -20.093 1.00 73.40 O ATOM 644 CG2 THR A 42 -13.385 -15.237 -20.765 1.00 34.51 C ATOM 0 H THR A 42 -11.205 -14.059 -19.069 1.00 31.45 H new ATOM 0 HA THR A 42 -13.728 -13.370 -17.910 1.00 23.21 H new ATOM 0 HB THR A 42 -12.851 -13.215 -20.346 1.00 20.41 H new ATOM 0 HG1 THR A 42 -15.497 -14.239 -20.216 1.00 73.40 H new ATOM 0 HG21 THR A 42 -13.637 -15.045 -21.808 1.00 34.51 H new ATOM 0 HG22 THR A 42 -12.352 -15.578 -20.699 1.00 34.51 H new ATOM 0 HG23 THR A 42 -14.047 -16.006 -20.368 1.00 34.51 H new ATOM 652 N GLU A 43 -14.964 -15.745 -17.779 1.00 15.15 N ATOM 653 CA GLU A 43 -15.440 -16.990 -17.171 1.00 71.31 C ATOM 654 C GLU A 43 -14.864 -18.202 -17.894 1.00 12.12 C ATOM 655 O GLU A 43 -14.396 -19.137 -17.260 1.00 32.21 O ATOM 656 CB GLU A 43 -16.969 -17.063 -17.159 1.00 43.41 C ATOM 657 CG GLU A 43 -17.528 -18.276 -16.420 1.00 4.44 C ATOM 658 CD GLU A 43 -16.964 -18.433 -15.013 1.00 44.01 C ATOM 659 OE1 GLU A 43 -16.951 -17.441 -14.250 1.00 43.34 O ATOM 660 OE2 GLU A 43 -16.542 -19.553 -14.659 1.00 20.13 O ATOM 0 H GLU A 43 -15.698 -15.086 -18.040 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.093 -16.998 -16.138 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -17.362 -16.157 -16.698 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.330 -17.079 -18.187 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -18.613 -18.190 -16.362 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -17.310 -19.176 -16.995 1.00 4.44 H new ATOM 667 N GLU A 44 -14.854 -18.154 -19.223 1.00 24.15 N ATOM 668 CA GLU A 44 -14.355 -19.268 -20.024 1.00 42.15 C ATOM 669 C GLU A 44 -12.915 -19.611 -19.621 1.00 51.42 C ATOM 670 O GLU A 44 -12.543 -20.784 -19.503 1.00 31.32 O ATOM 671 CB GLU A 44 -14.437 -18.924 -21.517 1.00 42.11 C ATOM 672 CG GLU A 44 -15.848 -18.581 -21.984 1.00 54.42 C ATOM 673 CD GLU A 44 -15.907 -18.245 -23.463 1.00 75.51 C ATOM 674 OE1 GLU A 44 -15.983 -19.181 -24.288 1.00 13.55 O ATOM 675 OE2 GLU A 44 -15.867 -17.047 -23.809 1.00 0.14 O ATOM 0 H GLU A 44 -15.185 -17.357 -19.767 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.978 -20.143 -19.839 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -13.779 -18.080 -21.724 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -14.066 -19.768 -22.098 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -16.509 -19.423 -21.780 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -16.222 -17.735 -21.408 1.00 54.42 H new ATOM 682 N GLN A 45 -12.126 -18.568 -19.374 1.00 31.04 N ATOM 683 CA GLN A 45 -10.747 -18.721 -18.915 1.00 14.15 C ATOM 684 C GLN A 45 -10.734 -19.397 -17.546 1.00 53.01 C ATOM 685 O GLN A 45 -9.966 -20.324 -17.305 1.00 14.13 O ATOM 686 CB GLN A 45 -10.068 -17.347 -18.827 1.00 51.21 C ATOM 687 CG GLN A 45 -10.013 -16.599 -20.154 1.00 30.54 C ATOM 688 CD GLN A 45 -8.899 -17.082 -21.065 1.00 41.25 C ATOM 689 OE1 GLN A 45 -7.789 -16.559 -21.036 1.00 64.40 O ATOM 690 NE2 GLN A 45 -9.183 -18.090 -21.870 1.00 1.34 N ATOM 0 H GLN A 45 -12.422 -17.598 -19.485 1.00 31.04 H new ATOM 0 HA GLN A 45 -10.199 -19.340 -19.626 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.600 -16.736 -18.098 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -9.053 -17.478 -18.452 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -10.968 -16.711 -20.667 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -9.879 -15.535 -19.959 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -10.118 -18.499 -21.865 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -8.468 -18.460 -22.496 1.00 1.34 H new ATOM 699 N VAL A 46 -11.614 -18.928 -16.667 1.00 64.44 N ATOM 700 CA VAL A 46 -11.759 -19.496 -15.329 1.00 2.55 C ATOM 701 C VAL A 46 -12.081 -20.988 -15.420 1.00 12.42 C ATOM 702 O VAL A 46 -11.541 -21.802 -14.667 1.00 73.15 O ATOM 703 CB VAL A 46 -12.877 -18.770 -14.532 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.086 -19.409 -13.160 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.561 -17.281 -14.394 1.00 15.10 C ATOM 0 H VAL A 46 -12.243 -18.149 -16.859 1.00 64.44 H new ATOM 0 HA VAL A 46 -10.814 -19.360 -14.803 1.00 2.55 H new ATOM 0 HB VAL A 46 -13.807 -18.874 -15.091 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -13.875 -18.878 -12.628 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.372 -20.453 -13.285 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.160 -19.352 -12.587 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.356 -16.791 -13.833 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -11.615 -17.157 -13.867 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.486 -16.832 -15.384 1.00 15.10 H new ATOM 715 N GLN A 47 -12.945 -21.336 -16.367 1.00 74.22 N ATOM 716 CA GLN A 47 -13.379 -22.718 -16.549 1.00 73.34 C ATOM 717 C GLN A 47 -12.242 -23.574 -17.074 1.00 25.01 C ATOM 718 O GLN A 47 -12.110 -24.736 -16.703 1.00 54.32 O ATOM 719 CB GLN A 47 -14.570 -22.793 -17.506 1.00 71.34 C ATOM 720 CG GLN A 47 -15.665 -21.804 -17.158 1.00 23.23 C ATOM 721 CD GLN A 47 -17.004 -22.130 -17.788 1.00 21.44 C ATOM 722 OE1 GLN A 47 -17.075 -22.734 -18.861 1.00 4.54 O ATOM 723 NE2 GLN A 47 -18.071 -21.709 -17.130 1.00 3.44 N ATOM 0 H GLN A 47 -13.361 -20.677 -17.024 1.00 74.22 H new ATOM 0 HA GLN A 47 -13.687 -23.101 -15.576 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.226 -22.604 -18.523 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -14.980 -23.803 -17.490 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.782 -21.771 -16.075 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -15.357 -20.808 -17.476 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -17.962 -21.213 -16.245 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -19.003 -21.880 -17.507 1.00 3.44 H new ATOM 732 N GLU A 48 -11.426 -23.002 -17.946 1.00 35.04 N ATOM 733 CA GLU A 48 -10.244 -23.711 -18.444 1.00 64.51 C ATOM 734 C GLU A 48 -9.285 -23.984 -17.282 1.00 55.04 C ATOM 735 O GLU A 48 -8.752 -25.098 -17.134 1.00 73.40 O ATOM 736 CB GLU A 48 -9.539 -22.926 -19.567 1.00 43.20 C ATOM 737 CG GLU A 48 -8.306 -22.153 -19.127 1.00 42.23 C ATOM 738 CD GLU A 48 -7.515 -21.588 -20.291 1.00 41.42 C ATOM 739 OE1 GLU A 48 -8.066 -20.762 -21.049 1.00 51.14 O ATOM 740 OE2 GLU A 48 -6.338 -21.983 -20.456 1.00 52.21 O ATOM 0 H GLU A 48 -11.552 -22.063 -18.323 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.567 -24.659 -18.874 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -9.252 -23.624 -20.354 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -10.252 -22.227 -20.005 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -8.610 -21.337 -18.471 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.662 -22.809 -18.542 1.00 42.23 H new ATOM 747 N VAL A 49 -9.081 -22.955 -16.457 1.00 34.21 N ATOM 748 CA VAL A 49 -8.261 -23.077 -15.254 1.00 32.22 C ATOM 749 C VAL A 49 -8.727 -24.259 -14.413 1.00 34.13 C ATOM 750 O VAL A 49 -7.945 -25.155 -14.111 1.00 25.13 O ATOM 751 CB VAL A 49 -8.311 -21.784 -14.392 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.562 -21.970 -13.073 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.744 -20.597 -15.162 1.00 71.11 C ATOM 0 H VAL A 49 -9.475 -22.025 -16.603 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.232 -23.236 -15.578 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.357 -21.580 -14.162 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.614 -21.049 -12.492 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -8.018 -22.783 -12.507 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.519 -22.211 -13.278 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -7.789 -19.704 -14.539 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.707 -20.799 -15.431 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.329 -20.438 -16.068 1.00 71.11 H new ATOM 763 N VAL A 50 -10.013 -24.268 -14.072 1.00 60.22 N ATOM 764 CA VAL A 50 -10.593 -25.327 -13.246 1.00 11.40 C ATOM 765 C VAL A 50 -10.606 -26.667 -13.982 1.00 72.34 C ATOM 766 O VAL A 50 -10.467 -27.722 -13.363 1.00 53.42 O ATOM 767 CB VAL A 50 -12.028 -24.964 -12.786 1.00 41.25 C ATOM 768 CG1 VAL A 50 -12.051 -23.557 -12.199 1.00 15.52 C ATOM 769 CG2 VAL A 50 -13.048 -25.111 -13.913 1.00 15.52 C ATOM 0 H VAL A 50 -10.678 -23.549 -14.357 1.00 60.22 H new ATOM 0 HA VAL A 50 -9.960 -25.423 -12.364 1.00 11.40 H new ATOM 0 HB VAL A 50 -12.318 -25.672 -12.010 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -13.064 -23.313 -11.879 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -11.379 -23.509 -11.342 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -11.727 -22.842 -12.955 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -14.039 -24.846 -13.544 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -12.779 -24.449 -14.736 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -13.056 -26.143 -14.264 1.00 15.52 H new ATOM 779 N ALA A 51 -10.768 -26.613 -15.301 1.00 31.45 N ATOM 780 CA ALA A 51 -10.767 -27.817 -16.133 1.00 42.34 C ATOM 781 C ALA A 51 -9.454 -28.570 -15.976 1.00 31.41 C ATOM 782 O ALA A 51 -9.436 -29.794 -15.841 1.00 25.24 O ATOM 783 CB ALA A 51 -11.007 -27.465 -17.598 1.00 44.10 C ATOM 0 H ALA A 51 -10.902 -25.745 -15.820 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.580 -28.462 -15.800 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -11.002 -28.376 -18.197 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -11.972 -26.969 -17.700 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -10.218 -26.798 -17.946 1.00 44.10 H new ATOM 789 N LYS A 52 -8.352 -27.825 -16.000 1.00 53.45 N ATOM 790 CA LYS A 52 -7.032 -28.403 -15.747 1.00 42.14 C ATOM 791 C LYS A 52 -6.836 -28.652 -14.246 1.00 3.33 C ATOM 792 O LYS A 52 -6.329 -29.698 -13.830 1.00 33.40 O ATOM 793 CB LYS A 52 -5.932 -27.470 -16.289 1.00 40.33 C ATOM 794 CG LYS A 52 -5.908 -27.368 -17.817 1.00 30.34 C ATOM 795 CD LYS A 52 -4.754 -26.495 -18.321 1.00 44.14 C ATOM 796 CE LYS A 52 -5.043 -24.998 -18.189 1.00 31.32 C ATOM 797 NZ LYS A 52 -5.992 -24.518 -19.232 1.00 11.24 N ATOM 0 H LYS A 52 -8.345 -26.823 -16.191 1.00 53.45 H new ATOM 0 HA LYS A 52 -6.963 -29.360 -16.265 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -6.074 -26.474 -15.870 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -4.962 -27.827 -15.942 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -5.819 -28.367 -18.245 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -6.854 -26.954 -18.167 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -3.850 -26.737 -17.762 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -4.555 -26.731 -19.366 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -5.457 -24.795 -17.201 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -4.109 -24.441 -18.264 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -5.846 -23.501 -19.392 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -5.824 -25.035 -20.118 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -6.969 -24.682 -18.915 1.00 11.24 H new ATOM 811 N LEU A 53 -7.286 -27.691 -13.446 1.00 5.45 N ATOM 812 CA LEU A 53 -7.093 -27.691 -11.991 1.00 72.44 C ATOM 813 C LEU A 53 -7.694 -28.948 -11.350 1.00 43.14 C ATOM 814 O LEU A 53 -7.152 -29.482 -10.381 1.00 30.51 O ATOM 815 CB LEU A 53 -7.727 -26.407 -11.407 1.00 61.32 C ATOM 816 CG LEU A 53 -7.347 -26.011 -9.963 1.00 62.23 C ATOM 817 CD1 LEU A 53 -8.045 -26.895 -8.930 1.00 3.31 C ATOM 818 CD2 LEU A 53 -5.833 -26.048 -9.767 1.00 15.34 C ATOM 0 H LEU A 53 -7.801 -26.880 -13.788 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.026 -27.703 -11.767 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -7.466 -25.576 -12.062 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.810 -26.518 -11.450 1.00 61.32 H new ATOM 0 HG LEU A 53 -7.691 -24.988 -9.808 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -7.751 -26.584 -7.927 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -9.125 -26.798 -9.038 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -7.757 -27.935 -9.087 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.592 -25.765 -8.742 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -5.465 -27.056 -9.961 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.360 -25.350 -10.457 1.00 15.34 H new ATOM 830 N THR A 54 -8.795 -29.435 -11.917 1.00 2.31 N ATOM 831 CA THR A 54 -9.510 -30.574 -11.348 1.00 74.25 C ATOM 832 C THR A 54 -8.791 -31.898 -11.624 1.00 12.24 C ATOM 833 O THR A 54 -9.303 -32.968 -11.281 1.00 11.50 O ATOM 834 CB THR A 54 -10.973 -30.642 -11.854 1.00 54.25 C ATOM 835 OG1 THR A 54 -11.015 -30.452 -13.275 1.00 2.43 O ATOM 836 CG2 THR A 54 -11.843 -29.590 -11.172 1.00 33.32 C ATOM 0 H THR A 54 -9.211 -29.059 -12.769 1.00 2.31 H new ATOM 0 HA THR A 54 -9.528 -30.420 -10.269 1.00 74.25 H new ATOM 0 HB THR A 54 -11.366 -31.628 -11.606 1.00 54.25 H new ATOM 0 HG1 THR A 54 -10.949 -29.496 -13.479 1.00 2.43 H new ATOM 0 HG21 THR A 54 -12.864 -29.663 -11.548 1.00 33.32 H new ATOM 0 HG22 THR A 54 -11.840 -29.758 -10.095 1.00 33.32 H new ATOM 0 HG23 THR A 54 -11.448 -28.597 -11.385 1.00 33.32 H new ATOM 844 N ASP A 55 -7.612 -31.833 -12.248 1.00 13.25 N ATOM 845 CA ASP A 55 -6.751 -33.009 -12.369 1.00 1.54 C ATOM 846 C ASP A 55 -5.740 -33.005 -11.221 1.00 20.51 C ATOM 847 O ASP A 55 -4.731 -32.298 -11.277 1.00 75.23 O ATOM 848 CB ASP A 55 -6.022 -33.041 -13.721 1.00 3.22 C ATOM 849 CG ASP A 55 -5.147 -34.281 -13.873 1.00 40.30 C ATOM 850 OD1 ASP A 55 -5.680 -35.353 -14.230 1.00 74.12 O ATOM 851 OD2 ASP A 55 -3.925 -34.195 -13.632 1.00 52.23 O ATOM 0 H ASP A 55 -7.235 -30.986 -12.673 1.00 13.25 H new ATOM 0 HA ASP A 55 -7.373 -33.903 -12.316 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -6.754 -33.014 -14.528 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -5.405 -32.148 -13.821 1.00 3.22 H new ATOM 856 N PRO A 56 -5.999 -33.794 -10.158 1.00 62.43 N ATOM 857 CA PRO A 56 -5.209 -33.746 -8.915 1.00 43.13 C ATOM 858 C PRO A 56 -3.781 -34.250 -9.101 1.00 2.34 C ATOM 859 O PRO A 56 -2.926 -34.066 -8.232 1.00 53.10 O ATOM 860 CB PRO A 56 -5.985 -34.666 -7.962 1.00 74.10 C ATOM 861 CG PRO A 56 -6.712 -35.609 -8.862 1.00 74.41 C ATOM 862 CD PRO A 56 -7.071 -34.810 -10.088 1.00 55.11 C ATOM 0 HA PRO A 56 -5.097 -32.725 -8.549 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -5.313 -35.198 -7.289 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -6.677 -34.099 -7.339 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -6.086 -36.463 -9.121 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.605 -36.003 -8.377 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -7.093 -35.433 -10.982 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -8.055 -34.351 -9.995 1.00 55.11 H new ATOM 870 N GLU A 57 -3.531 -34.882 -10.238 1.00 53.21 N ATOM 871 CA GLU A 57 -2.229 -35.457 -10.528 1.00 31.20 C ATOM 872 C GLU A 57 -1.251 -34.363 -10.953 1.00 11.32 C ATOM 873 O GLU A 57 -0.203 -34.176 -10.331 1.00 40.10 O ATOM 874 CB GLU A 57 -2.366 -36.525 -11.621 1.00 11.23 C ATOM 875 CG GLU A 57 -1.098 -37.332 -11.874 1.00 74.52 C ATOM 876 CD GLU A 57 -1.328 -38.477 -12.844 1.00 43.42 C ATOM 877 OE1 GLU A 57 -1.821 -39.544 -12.413 1.00 10.41 O ATOM 878 OE2 GLU A 57 -1.024 -38.324 -14.045 1.00 15.41 O ATOM 0 H GLU A 57 -4.220 -35.009 -10.979 1.00 53.21 H new ATOM 0 HA GLU A 57 -1.836 -35.930 -9.628 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -3.169 -37.209 -11.345 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -2.665 -36.040 -12.550 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -0.324 -36.674 -12.269 1.00 74.52 H new ATOM 0 HG3 GLU A 57 -0.728 -37.728 -10.929 1.00 74.52 H new ATOM 885 N SER A 58 -1.618 -33.623 -11.993 1.00 43.04 N ATOM 886 CA SER A 58 -0.767 -32.562 -12.521 1.00 14.11 C ATOM 887 C SER A 58 -0.665 -31.398 -11.532 1.00 64.34 C ATOM 888 O SER A 58 0.431 -30.903 -11.261 1.00 15.34 O ATOM 889 CB SER A 58 -1.305 -32.073 -13.874 1.00 53.34 C ATOM 890 OG SER A 58 -2.643 -31.616 -13.764 1.00 0.11 O ATOM 0 H SER A 58 -2.502 -33.738 -12.489 1.00 43.04 H new ATOM 0 HA SER A 58 0.234 -32.968 -12.668 1.00 14.11 H new ATOM 0 HB2 SER A 58 -0.673 -31.268 -14.249 1.00 53.34 H new ATOM 0 HB3 SER A 58 -1.254 -32.883 -14.602 1.00 53.34 H new ATOM 0 HG SER A 58 -3.250 -32.385 -13.739 1.00 0.11 H new ATOM 896 N SER A 59 -1.804 -30.984 -10.980 1.00 11.31 N ATOM 897 CA SER A 59 -1.851 -29.857 -10.050 1.00 64.13 C ATOM 898 C SER A 59 -0.929 -30.096 -8.851 1.00 74.10 C ATOM 899 O SER A 59 -0.155 -29.220 -8.464 1.00 53.43 O ATOM 900 CB SER A 59 -3.293 -29.618 -9.589 1.00 5.10 C ATOM 901 OG SER A 59 -3.908 -30.830 -9.190 1.00 31.55 O ATOM 0 H SER A 59 -2.711 -31.414 -11.162 1.00 11.31 H new ATOM 0 HA SER A 59 -1.497 -28.966 -10.568 1.00 64.13 H new ATOM 0 HB2 SER A 59 -3.300 -28.912 -8.758 1.00 5.10 H new ATOM 0 HB3 SER A 59 -3.866 -29.165 -10.398 1.00 5.10 H new ATOM 0 HG SER A 59 -4.373 -31.228 -9.955 1.00 31.55 H new ATOM 907 N ALA A 60 -1.001 -31.297 -8.283 1.00 52.35 N ATOM 908 CA ALA A 60 -0.143 -31.663 -7.160 1.00 44.05 C ATOM 909 C ALA A 60 1.324 -31.675 -7.584 1.00 65.01 C ATOM 910 O ALA A 60 2.205 -31.288 -6.818 1.00 55.43 O ATOM 911 CB ALA A 60 -0.542 -33.022 -6.595 1.00 33.33 C ATOM 0 H ALA A 60 -1.643 -32.031 -8.581 1.00 52.35 H new ATOM 0 HA ALA A 60 -0.272 -30.914 -6.379 1.00 44.05 H new ATOM 0 HB1 ALA A 60 0.111 -33.274 -5.759 1.00 33.33 H new ATOM 0 HB2 ALA A 60 -1.575 -32.983 -6.250 1.00 33.33 H new ATOM 0 HB3 ALA A 60 -0.447 -33.781 -7.372 1.00 33.33 H new ATOM 917 N GLN A 61 1.571 -32.092 -8.823 1.00 51.35 N ATOM 918 CA GLN A 61 2.929 -32.239 -9.343 1.00 31.01 C ATOM 919 C GLN A 61 3.602 -30.874 -9.522 1.00 42.21 C ATOM 920 O GLN A 61 4.829 -30.776 -9.505 1.00 61.11 O ATOM 921 CB GLN A 61 2.899 -32.997 -10.682 1.00 62.35 C ATOM 922 CG GLN A 61 4.278 -33.279 -11.284 1.00 12.53 C ATOM 923 CD GLN A 61 5.142 -34.166 -10.399 1.00 33.44 C ATOM 924 OE1 GLN A 61 5.894 -33.678 -9.553 1.00 35.13 O ATOM 925 NE2 GLN A 61 5.039 -35.474 -10.585 1.00 62.21 N ATOM 0 H GLN A 61 0.841 -32.336 -9.492 1.00 51.35 H new ATOM 0 HA GLN A 61 3.512 -32.810 -8.621 1.00 31.01 H new ATOM 0 HB2 GLN A 61 2.379 -33.944 -10.537 1.00 62.35 H new ATOM 0 HB3 GLN A 61 2.315 -32.420 -11.399 1.00 62.35 H new ATOM 0 HG2 GLN A 61 4.154 -33.756 -12.256 1.00 12.53 H new ATOM 0 HG3 GLN A 61 4.794 -32.334 -11.456 1.00 12.53 H new ATOM 0 HE21 GLN A 61 4.405 -35.840 -11.296 1.00 62.21 H new ATOM 0 HE22 GLN A 61 5.594 -36.115 -10.018 1.00 62.21 H new ATOM 934 N ILE A 62 2.793 -29.826 -9.687 1.00 4.23 N ATOM 935 CA ILE A 62 3.312 -28.475 -9.911 1.00 32.12 C ATOM 936 C ILE A 62 4.248 -28.050 -8.776 1.00 0.54 C ATOM 937 O ILE A 62 5.376 -27.610 -9.015 1.00 12.44 O ATOM 938 CB ILE A 62 2.165 -27.433 -10.033 1.00 60.44 C ATOM 939 CG1 ILE A 62 1.186 -27.820 -11.156 1.00 42.11 C ATOM 940 CG2 ILE A 62 2.726 -26.028 -10.264 1.00 4.10 C ATOM 941 CD1 ILE A 62 1.818 -27.917 -12.530 1.00 43.34 C ATOM 0 H ILE A 62 1.775 -29.887 -9.670 1.00 4.23 H new ATOM 0 HA ILE A 62 3.866 -28.504 -10.850 1.00 32.12 H new ATOM 0 HB ILE A 62 1.615 -27.429 -9.092 1.00 60.44 H new ATOM 0 HG12 ILE A 62 0.731 -28.779 -10.910 1.00 42.11 H new ATOM 0 HG13 ILE A 62 0.382 -27.085 -11.190 1.00 42.11 H new ATOM 0 HG21 ILE A 62 1.904 -25.317 -10.346 1.00 4.10 H new ATOM 0 HG22 ILE A 62 3.365 -25.749 -9.426 1.00 4.10 H new ATOM 0 HG23 ILE A 62 3.309 -26.016 -11.185 1.00 4.10 H new ATOM 0 HD11 ILE A 62 1.059 -28.194 -13.261 1.00 43.34 H new ATOM 0 HD12 ILE A 62 2.248 -26.953 -12.801 1.00 43.34 H new ATOM 0 HD13 ILE A 62 2.602 -28.674 -12.517 1.00 43.34 H new ATOM 953 N ASP A 63 3.782 -28.211 -7.541 1.00 4.21 N ATOM 954 CA ASP A 63 4.556 -27.821 -6.355 1.00 24.12 C ATOM 955 C ASP A 63 5.047 -29.042 -5.588 1.00 32.11 C ATOM 956 O ASP A 63 5.920 -28.932 -4.723 1.00 51.03 O ATOM 957 CB ASP A 63 3.704 -26.947 -5.419 1.00 63.41 C ATOM 958 CG ASP A 63 3.627 -25.495 -5.860 1.00 3.22 C ATOM 959 OD1 ASP A 63 2.811 -25.170 -6.744 1.00 51.45 O ATOM 960 OD2 ASP A 63 4.373 -24.659 -5.298 1.00 1.22 O ATOM 0 H ASP A 63 2.868 -28.611 -7.329 1.00 4.21 H new ATOM 0 HA ASP A 63 5.419 -27.253 -6.702 1.00 24.12 H new ATOM 0 HB2 ASP A 63 2.696 -27.358 -5.367 1.00 63.41 H new ATOM 0 HB3 ASP A 63 4.119 -26.993 -4.412 1.00 63.41 H new ATOM 965 N GLY A 64 4.487 -30.201 -5.907 1.00 4.34 N ATOM 966 CA GLY A 64 4.788 -31.412 -5.164 1.00 4.15 C ATOM 967 C GLY A 64 3.941 -31.521 -3.910 1.00 21.32 C ATOM 968 O GLY A 64 3.997 -32.520 -3.192 1.00 74.55 O ATOM 0 H GLY A 64 3.825 -30.326 -6.673 1.00 4.34 H new ATOM 0 HA2 GLY A 64 4.614 -32.281 -5.798 1.00 4.15 H new ATOM 0 HA3 GLY A 64 5.844 -31.421 -4.893 1.00 4.15 H new ATOM 972 N VAL A 65 3.147 -30.481 -3.654 1.00 53.23 N ATOM 973 CA VAL A 65 2.260 -30.424 -2.497 1.00 5.12 C ATOM 974 C VAL A 65 0.891 -29.912 -2.934 1.00 22.24 C ATOM 975 O VAL A 65 0.783 -28.813 -3.484 1.00 34.45 O ATOM 976 CB VAL A 65 2.823 -29.491 -1.389 1.00 20.52 C ATOM 977 CG1 VAL A 65 1.868 -29.421 -0.197 1.00 63.22 C ATOM 978 CG2 VAL A 65 4.215 -29.944 -0.946 1.00 11.54 C ATOM 0 H VAL A 65 3.102 -29.652 -4.247 1.00 53.23 H new ATOM 0 HA VAL A 65 2.178 -31.430 -2.086 1.00 5.12 H new ATOM 0 HB VAL A 65 2.913 -28.489 -1.809 1.00 20.52 H new ATOM 0 HG11 VAL A 65 2.285 -28.762 0.565 1.00 63.22 H new ATOM 0 HG12 VAL A 65 0.904 -29.032 -0.525 1.00 63.22 H new ATOM 0 HG13 VAL A 65 1.734 -30.419 0.221 1.00 63.22 H new ATOM 0 HG21 VAL A 65 4.586 -29.274 -0.170 1.00 11.54 H new ATOM 0 HG22 VAL A 65 4.159 -30.959 -0.553 1.00 11.54 H new ATOM 0 HG23 VAL A 65 4.893 -29.922 -1.799 1.00 11.54 H new ATOM 988 N VAL A 66 -0.146 -30.706 -2.697 1.00 30.32 N ATOM 989 CA VAL A 66 -1.496 -30.350 -3.122 1.00 1.42 C ATOM 990 C VAL A 66 -2.204 -29.508 -2.054 1.00 32.13 C ATOM 991 O VAL A 66 -2.677 -30.019 -1.036 1.00 51.15 O ATOM 992 CB VAL A 66 -2.340 -31.608 -3.488 1.00 14.41 C ATOM 993 CG1 VAL A 66 -2.410 -32.600 -2.328 1.00 5.23 C ATOM 994 CG2 VAL A 66 -3.742 -31.212 -3.952 1.00 34.45 C ATOM 0 H VAL A 66 -0.079 -31.601 -2.213 1.00 30.32 H new ATOM 0 HA VAL A 66 -1.402 -29.748 -4.026 1.00 1.42 H new ATOM 0 HB VAL A 66 -1.835 -32.107 -4.315 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -3.007 -33.463 -2.623 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -1.403 -32.927 -2.068 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -2.870 -32.119 -1.465 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -4.310 -32.109 -4.201 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -4.250 -30.671 -3.154 1.00 34.45 H new ATOM 0 HG23 VAL A 66 -3.667 -30.574 -4.832 1.00 34.45 H new ATOM 1004 N SER A 67 -2.237 -28.202 -2.290 1.00 53.53 N ATOM 1005 CA SER A 67 -2.930 -27.259 -1.419 1.00 63.30 C ATOM 1006 C SER A 67 -3.663 -26.226 -2.278 1.00 25.11 C ATOM 1007 O SER A 67 -3.412 -26.136 -3.479 1.00 45.11 O ATOM 1008 CB SER A 67 -1.938 -26.579 -0.471 1.00 44.10 C ATOM 1009 OG SER A 67 -1.189 -27.537 0.265 1.00 1.41 O ATOM 0 H SER A 67 -1.783 -27.766 -3.092 1.00 53.53 H new ATOM 0 HA SER A 67 -3.658 -27.794 -0.809 1.00 63.30 H new ATOM 0 HB2 SER A 67 -1.260 -25.946 -1.043 1.00 44.10 H new ATOM 0 HB3 SER A 67 -2.477 -25.928 0.218 1.00 44.10 H new ATOM 0 HG SER A 67 -0.563 -27.075 0.861 1.00 1.41 H new ATOM 1015 N LYS A 68 -4.543 -25.439 -1.666 1.00 41.35 N ATOM 1016 CA LYS A 68 -5.445 -24.563 -2.416 1.00 53.40 C ATOM 1017 C LYS A 68 -4.690 -23.485 -3.200 1.00 61.41 C ATOM 1018 O LYS A 68 -5.222 -22.930 -4.163 1.00 72.23 O ATOM 1019 CB LYS A 68 -6.506 -23.937 -1.501 1.00 10.32 C ATOM 1020 CG LYS A 68 -7.285 -24.959 -0.665 1.00 71.13 C ATOM 1021 CD LYS A 68 -7.628 -26.229 -1.454 1.00 22.42 C ATOM 1022 CE LYS A 68 -8.522 -25.961 -2.662 1.00 22.41 C ATOM 1023 NZ LYS A 68 -8.635 -27.164 -3.534 1.00 5.02 N ATOM 0 H LYS A 68 -4.653 -25.388 -0.653 1.00 41.35 H new ATOM 0 HA LYS A 68 -5.956 -25.191 -3.146 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -6.021 -23.228 -0.830 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -7.209 -23.370 -2.111 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -6.697 -25.229 0.212 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -8.206 -24.501 -0.303 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -6.705 -26.701 -1.790 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -8.125 -26.938 -0.792 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -9.514 -25.661 -2.323 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -8.117 -25.129 -3.238 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -9.399 -27.021 -4.225 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -7.737 -27.314 -4.036 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -8.849 -27.997 -2.950 1.00 5.02 H new ATOM 1037 N ASP A 69 -3.461 -23.177 -2.779 1.00 15.13 N ATOM 1038 CA ASP A 69 -2.598 -22.243 -3.521 1.00 73.13 C ATOM 1039 C ASP A 69 -2.455 -22.668 -4.989 1.00 2.11 C ATOM 1040 O ASP A 69 -2.084 -21.860 -5.845 1.00 71.50 O ATOM 1041 CB ASP A 69 -1.212 -22.123 -2.867 1.00 3.14 C ATOM 1042 CG ASP A 69 -0.456 -23.443 -2.809 1.00 33.44 C ATOM 1043 OD1 ASP A 69 0.206 -23.809 -3.804 1.00 3.03 O ATOM 1044 OD2 ASP A 69 -0.513 -24.114 -1.757 1.00 53.11 O ATOM 0 H ASP A 69 -3.039 -23.557 -1.932 1.00 15.13 H new ATOM 0 HA ASP A 69 -3.078 -21.265 -3.489 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -0.618 -21.396 -3.422 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -1.328 -21.734 -1.855 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.801 -23.926 -5.270 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.780 -24.481 -6.625 1.00 21.21 C ATOM 1051 C GLU A 70 -3.578 -23.585 -7.576 1.00 20.22 C ATOM 1052 O GLU A 70 -3.199 -23.373 -8.735 1.00 62.31 O ATOM 1053 CB GLU A 70 -3.416 -25.882 -6.592 1.00 43.43 C ATOM 1054 CG GLU A 70 -4.892 -25.857 -6.173 1.00 54.45 C ATOM 1055 CD GLU A 70 -5.477 -27.227 -5.876 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -5.348 -28.135 -6.716 1.00 33.23 O ATOM 1057 OE2 GLU A 70 -6.098 -27.395 -4.799 1.00 53.25 O ATOM 0 H GLU A 70 -3.105 -24.592 -4.560 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.750 -24.539 -6.978 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -3.331 -26.338 -7.579 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -2.858 -26.513 -5.900 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.996 -25.230 -5.288 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -5.476 -25.389 -6.966 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.663 -23.027 -7.044 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.551 -22.167 -7.800 1.00 21.42 C ATOM 1066 C ILE A 71 -4.772 -20.973 -8.332 1.00 5.33 C ATOM 1067 O ILE A 71 -4.814 -20.666 -9.522 1.00 63.22 O ATOM 1068 CB ILE A 71 -6.717 -21.679 -6.904 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.551 -22.874 -6.412 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -7.596 -20.675 -7.641 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.659 -22.496 -5.449 1.00 41.44 C ATOM 0 H ILE A 71 -4.946 -23.163 -6.074 1.00 21.23 H new ATOM 0 HA ILE A 71 -5.966 -22.731 -8.636 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.290 -21.173 -6.038 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -7.988 -23.378 -7.274 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.889 -23.590 -5.926 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.405 -20.351 -6.987 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -6.997 -19.812 -7.932 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.015 -21.143 -8.532 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -9.201 -23.392 -5.148 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.229 -22.019 -4.568 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.345 -21.804 -5.937 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.033 -20.334 -7.431 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.231 -19.164 -7.759 1.00 53.51 C ATOM 1085 C GLU A 72 -2.195 -19.503 -8.831 1.00 55.15 C ATOM 1086 O GLU A 72 -1.945 -18.707 -9.741 1.00 64.43 O ATOM 1087 CB GLU A 72 -2.541 -18.640 -6.493 1.00 52.51 C ATOM 1088 CG GLU A 72 -3.482 -18.534 -5.298 1.00 33.15 C ATOM 1089 CD GLU A 72 -2.834 -17.894 -4.082 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -2.714 -16.652 -4.049 1.00 52.10 O ATOM 1091 OE2 GLU A 72 -2.457 -18.627 -3.147 1.00 15.35 O ATOM 0 H GLU A 72 -3.974 -20.614 -6.452 1.00 15.22 H new ATOM 0 HA GLU A 72 -3.885 -18.388 -8.156 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -1.713 -19.301 -6.238 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -2.114 -17.659 -6.699 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -4.358 -17.952 -5.584 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -3.835 -19.530 -5.032 1.00 33.15 H new ATOM 1098 N LYS A 73 -1.611 -20.698 -8.726 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.602 -21.156 -9.683 1.00 45.24 C ATOM 1100 C LYS A 73 -1.198 -21.273 -11.085 1.00 24.45 C ATOM 1101 O LYS A 73 -0.604 -20.803 -12.063 1.00 4.23 O ATOM 1102 CB LYS A 73 0.006 -22.503 -9.243 1.00 73.41 C ATOM 1103 CG LYS A 73 1.135 -22.380 -8.215 1.00 61.01 C ATOM 1104 CD LYS A 73 0.688 -21.667 -6.941 1.00 25.10 C ATOM 1105 CE LYS A 73 1.818 -21.547 -5.924 1.00 44.05 C ATOM 1106 NZ LYS A 73 2.254 -22.871 -5.411 1.00 4.13 N ATOM 0 H LYS A 73 -1.820 -21.368 -7.986 1.00 41.33 H new ATOM 0 HA LYS A 73 0.196 -20.414 -9.708 1.00 45.24 H new ATOM 0 HB2 LYS A 73 -0.785 -23.125 -8.824 1.00 73.41 H new ATOM 0 HB3 LYS A 73 0.387 -23.021 -10.123 1.00 73.41 H new ATOM 0 HG2 LYS A 73 1.502 -23.375 -7.962 1.00 61.01 H new ATOM 0 HG3 LYS A 73 1.969 -21.836 -8.659 1.00 61.01 H new ATOM 0 HD2 LYS A 73 0.320 -20.672 -7.193 1.00 25.10 H new ATOM 0 HD3 LYS A 73 -0.145 -22.211 -6.495 1.00 25.10 H new ATOM 0 HE2 LYS A 73 2.666 -21.040 -6.384 1.00 44.05 H new ATOM 0 HE3 LYS A 73 1.490 -20.926 -5.090 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 3.233 -22.805 -5.067 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 1.632 -23.163 -4.631 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 2.203 -23.574 -6.176 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.375 -21.892 -11.182 1.00 11.22 N ATOM 1121 CA PHE A 74 -3.042 -22.060 -12.475 1.00 22.20 C ATOM 1122 C PHE A 74 -3.565 -20.727 -13.020 1.00 73.02 C ATOM 1123 O PHE A 74 -3.570 -20.507 -14.230 1.00 45.14 O ATOM 1124 CB PHE A 74 -4.175 -23.092 -12.372 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.687 -24.520 -12.384 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -2.852 -24.994 -11.383 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -4.060 -25.385 -13.405 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -2.401 -26.300 -11.397 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -3.612 -26.692 -13.422 1.00 73.32 C ATOM 1130 CZ PHE A 74 -2.781 -27.150 -12.418 1.00 62.40 C ATOM 0 H PHE A 74 -2.883 -22.283 -10.389 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.300 -22.432 -13.182 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.736 -22.915 -11.454 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -4.867 -22.945 -13.201 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.551 -24.334 -10.583 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -4.707 -25.032 -14.194 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -1.752 -26.656 -10.611 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -3.911 -27.355 -14.220 1.00 73.32 H new ATOM 0 HZ PHE A 74 -2.429 -28.171 -12.431 1.00 62.40 H new ATOM 1140 N ILE A 75 -3.989 -19.834 -12.130 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.490 -18.518 -12.543 1.00 31.44 C ATOM 1142 C ILE A 75 -3.362 -17.673 -13.135 1.00 22.43 C ATOM 1143 O ILE A 75 -3.508 -17.084 -14.210 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.143 -17.758 -11.360 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.380 -18.515 -10.857 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -5.518 -16.333 -11.766 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -6.980 -17.930 -9.599 1.00 30.54 C ATOM 0 H ILE A 75 -3.998 -19.992 -11.122 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.252 -18.687 -13.304 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.415 -17.699 -10.550 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.136 -18.519 -11.642 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.108 -19.554 -10.670 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -5.974 -15.821 -10.919 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -4.622 -15.795 -12.075 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.226 -16.365 -12.594 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -7.850 -18.517 -9.304 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.240 -17.951 -8.799 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.284 -16.900 -9.786 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.230 -17.636 -12.435 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.068 -16.869 -12.883 1.00 4.04 C ATOM 1161 C ALA A 76 -0.624 -17.326 -14.271 1.00 21.11 C ATOM 1162 O ALA A 76 -0.139 -16.529 -15.076 1.00 25.25 O ATOM 1163 CB ALA A 76 0.075 -17.008 -11.884 1.00 5.44 C ATOM 0 H ALA A 76 -2.092 -18.129 -11.553 1.00 52.44 H new ATOM 0 HA ALA A 76 -1.351 -15.818 -12.944 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.933 -16.432 -12.230 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -0.244 -16.634 -10.911 1.00 5.44 H new ATOM 0 HB3 ALA A 76 0.355 -18.058 -11.795 1.00 5.44 H new ATOM 1169 N ASP A 77 -0.824 -18.612 -14.541 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.457 -19.216 -15.822 1.00 42.01 C ATOM 1171 C ASP A 77 -1.240 -18.581 -16.973 1.00 61.43 C ATOM 1172 O ASP A 77 -0.752 -18.508 -18.103 1.00 2.14 O ATOM 1173 CB ASP A 77 -0.718 -20.726 -15.778 1.00 63.45 C ATOM 1174 CG ASP A 77 -0.323 -21.438 -17.064 1.00 43.21 C ATOM 1175 OD1 ASP A 77 0.868 -21.787 -17.215 1.00 31.32 O ATOM 1176 OD2 ASP A 77 -1.203 -21.665 -17.924 1.00 14.33 O ATOM 0 H ASP A 77 -1.244 -19.266 -13.881 1.00 61.03 H new ATOM 0 HA ASP A 77 0.604 -19.037 -15.995 1.00 42.01 H new ATOM 0 HB2 ASP A 77 -0.165 -21.160 -14.945 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -1.776 -20.900 -15.584 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.442 -18.094 -16.672 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.324 -17.506 -17.683 1.00 54.41 C ATOM 1183 C VAL A 78 -3.060 -15.996 -17.811 1.00 22.23 C ATOM 1184 O VAL A 78 -3.958 -15.208 -18.102 1.00 42.11 O ATOM 1185 CB VAL A 78 -4.814 -17.770 -17.333 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.732 -17.463 -18.521 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -4.999 -19.211 -16.863 1.00 24.11 C ATOM 0 H VAL A 78 -2.831 -18.094 -15.729 1.00 0.21 H new ATOM 0 HA VAL A 78 -3.110 -17.979 -18.642 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.094 -17.098 -16.521 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.767 -17.659 -18.241 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.624 -16.416 -18.803 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.459 -18.096 -19.365 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -6.048 -19.383 -16.621 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.693 -19.894 -17.655 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.389 -19.386 -15.977 1.00 24.11 H new ATOM 1197 N THR A 79 -1.801 -15.615 -17.591 1.00 30.41 N ATOM 1198 CA THR A 79 -1.338 -14.233 -17.764 1.00 54.12 C ATOM 1199 C THR A 79 -1.977 -13.283 -16.747 1.00 71.50 C ATOM 1200 O THR A 79 -1.877 -12.064 -16.883 1.00 33.50 O ATOM 1201 CB THR A 79 -1.652 -13.720 -19.196 1.00 72.30 C ATOM 1202 OG1 THR A 79 -1.392 -14.757 -20.156 1.00 53.21 O ATOM 1203 CG2 THR A 79 -0.819 -12.491 -19.557 1.00 22.22 C ATOM 0 H THR A 79 -1.069 -16.257 -17.287 1.00 30.41 H new ATOM 0 HA THR A 79 -0.260 -14.243 -17.603 1.00 54.12 H new ATOM 0 HB THR A 79 -2.705 -13.439 -19.216 1.00 72.30 H new ATOM 0 HG1 THR A 79 -1.594 -14.427 -21.057 1.00 53.21 H new ATOM 0 HG21 THR A 79 -1.070 -12.165 -20.566 1.00 22.22 H new ATOM 0 HG22 THR A 79 -1.032 -11.687 -18.853 1.00 22.22 H new ATOM 0 HG23 THR A 79 0.240 -12.743 -19.510 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.575 -13.826 -15.690 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.262 -12.979 -14.716 1.00 2.22 C ATOM 1213 C LYS A 80 -2.249 -12.190 -13.891 1.00 73.41 C ATOM 1214 O LYS A 80 -2.547 -11.099 -13.402 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.179 -13.801 -13.798 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.064 -12.929 -12.905 1.00 21.24 C ATOM 1217 CD LYS A 80 -5.956 -11.999 -13.737 1.00 33.52 C ATOM 1218 CE LYS A 80 -6.309 -10.708 -13.006 1.00 30.34 C ATOM 1219 NZ LYS A 80 -7.123 -10.938 -11.790 1.00 71.14 N ATOM 0 H LYS A 80 -2.599 -14.825 -15.487 1.00 61.35 H new ATOM 0 HA LYS A 80 -3.890 -12.280 -15.268 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -4.811 -14.447 -14.408 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.569 -14.452 -13.172 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.686 -13.565 -12.275 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -4.438 -12.335 -12.239 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.448 -11.755 -14.670 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -6.874 -12.524 -14.001 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -5.391 -10.190 -12.730 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -6.854 -10.050 -13.683 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -6.946 -10.176 -11.104 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -8.131 -10.948 -12.044 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -6.864 -11.852 -11.367 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.047 -12.757 -13.767 1.00 15.43 N ATOM 1234 CA ASP A 81 0.060 -12.155 -13.013 1.00 70.42 C ATOM 1235 C ASP A 81 -0.255 -12.151 -11.514 1.00 63.31 C ATOM 1236 O ASP A 81 0.390 -12.858 -10.738 1.00 51.31 O ATOM 1237 CB ASP A 81 0.369 -10.730 -13.510 1.00 15.35 C ATOM 1238 CG ASP A 81 1.787 -10.290 -13.171 1.00 71.41 C ATOM 1239 OD1 ASP A 81 2.084 -10.073 -11.980 1.00 21.22 O ATOM 1240 OD2 ASP A 81 2.614 -10.161 -14.101 1.00 53.32 O ATOM 0 H ASP A 81 -0.810 -13.655 -14.190 1.00 15.43 H new ATOM 0 HA ASP A 81 0.950 -12.762 -13.180 1.00 70.42 H new ATOM 0 HB2 ASP A 81 0.227 -10.686 -14.590 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -0.341 -10.032 -13.066 1.00 15.35 H new ATOM 1245 N GLU A 82 -1.255 -11.362 -11.117 1.00 51.11 N ATOM 1246 CA GLU A 82 -1.729 -11.341 -9.737 1.00 23.24 C ATOM 1247 C GLU A 82 -3.086 -12.038 -9.634 1.00 62.30 C ATOM 1248 O GLU A 82 -4.113 -11.480 -10.035 1.00 24.41 O ATOM 1249 CB GLU A 82 -1.863 -9.908 -9.212 1.00 2.34 C ATOM 1250 CG GLU A 82 -2.370 -9.839 -7.770 1.00 51.23 C ATOM 1251 CD GLU A 82 -2.746 -8.435 -7.334 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -3.862 -7.982 -7.672 1.00 21.23 O ATOM 1253 OE2 GLU A 82 -1.941 -7.780 -6.640 1.00 14.04 O ATOM 0 H GLU A 82 -1.754 -10.726 -11.739 1.00 51.11 H new ATOM 0 HA GLU A 82 -0.993 -11.868 -9.130 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -0.894 -9.413 -9.273 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -2.545 -9.354 -9.857 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -3.238 -10.489 -7.666 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -1.600 -10.226 -7.102 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.104 -13.278 -9.131 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.343 -13.990 -8.821 1.00 1.43 C ATOM 1262 C PRO A 83 -5.056 -13.350 -7.627 1.00 63.44 C ATOM 1263 O PRO A 83 -4.662 -13.556 -6.476 1.00 23.54 O ATOM 1264 CB PRO A 83 -3.878 -15.422 -8.479 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.443 -15.491 -8.893 1.00 51.24 C ATOM 1266 CD PRO A 83 -1.916 -14.085 -8.833 1.00 42.23 C ATOM 0 HA PRO A 83 -5.056 -13.967 -9.645 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -3.988 -15.626 -7.414 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -4.475 -16.164 -9.009 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -1.878 -16.146 -8.229 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -2.348 -15.899 -9.899 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.503 -13.850 -7.852 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.122 -13.920 -9.561 1.00 42.23 H new ATOM 1274 N THR A 84 -6.080 -12.551 -7.904 1.00 62.44 N ATOM 1275 CA THR A 84 -6.798 -11.828 -6.860 1.00 64.50 C ATOM 1276 C THR A 84 -7.910 -12.689 -6.258 1.00 62.30 C ATOM 1277 O THR A 84 -8.301 -13.718 -6.828 1.00 22.53 O ATOM 1278 CB THR A 84 -7.397 -10.498 -7.393 1.00 74.30 C ATOM 1279 OG1 THR A 84 -7.958 -9.736 -6.313 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.470 -10.746 -8.446 1.00 32.20 C ATOM 0 H THR A 84 -6.433 -12.387 -8.847 1.00 62.44 H new ATOM 0 HA THR A 84 -6.072 -11.592 -6.082 1.00 64.50 H new ATOM 0 HB THR A 84 -6.584 -9.938 -7.856 1.00 74.30 H new ATOM 0 HG1 THR A 84 -8.331 -8.899 -6.662 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.865 -9.792 -8.795 1.00 32.20 H new ATOM 0 HG22 THR A 84 -8.037 -11.288 -9.286 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.277 -11.336 -8.011 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.410 -12.258 -5.099 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.479 -12.960 -4.396 1.00 53.25 C ATOM 1290 C ALA A 85 -10.656 -13.253 -5.324 1.00 55.44 C ATOM 1291 O ALA A 85 -11.306 -14.288 -5.200 1.00 52.34 O ATOM 1292 CB ALA A 85 -9.937 -12.148 -3.190 1.00 13.24 C ATOM 0 H ALA A 85 -8.085 -11.415 -4.625 1.00 11.33 H new ATOM 0 HA ALA A 85 -9.085 -13.915 -4.049 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -10.735 -12.682 -2.674 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -9.098 -12.002 -2.509 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -10.306 -11.178 -3.523 1.00 13.24 H new ATOM 1298 N GLN A 86 -10.919 -12.337 -6.257 1.00 34.21 N ATOM 1299 CA GLN A 86 -11.972 -12.533 -7.251 1.00 11.51 C ATOM 1300 C GLN A 86 -11.714 -13.801 -8.060 1.00 50.40 C ATOM 1301 O GLN A 86 -12.587 -14.672 -8.174 1.00 71.31 O ATOM 1302 CB GLN A 86 -12.059 -11.327 -8.195 1.00 50.03 C ATOM 1303 CG GLN A 86 -13.078 -11.498 -9.317 1.00 41.24 C ATOM 1304 CD GLN A 86 -13.132 -10.302 -10.250 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -12.420 -10.246 -11.254 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -13.978 -9.336 -9.927 1.00 55.22 N ATOM 0 H GLN A 86 -10.417 -11.453 -6.344 1.00 34.21 H new ATOM 0 HA GLN A 86 -12.919 -12.635 -6.722 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.316 -10.441 -7.615 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -11.077 -11.148 -8.633 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -12.832 -12.391 -9.892 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -14.065 -11.660 -8.884 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -14.551 -9.419 -9.087 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -14.057 -8.508 -10.518 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.504 -13.903 -8.608 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.133 -15.044 -9.439 1.00 32.24 C ATOM 1317 C ASP A 87 -10.258 -16.321 -8.625 1.00 42.21 C ATOM 1318 O ASP A 87 -10.938 -17.267 -9.030 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.694 -14.927 -9.964 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.389 -13.614 -10.660 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -9.195 -13.164 -11.498 1.00 21.13 O ATOM 1322 OD2 ASP A 87 -7.332 -13.021 -10.364 1.00 14.52 O ATOM 0 H ASP A 87 -9.765 -13.209 -8.491 1.00 24.32 H new ATOM 0 HA ASP A 87 -10.807 -15.064 -10.296 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -8.004 -15.051 -9.130 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.505 -15.746 -10.659 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.622 -16.327 -7.450 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.644 -17.505 -6.584 1.00 12.41 C ATOM 1329 C ILE A 88 -11.079 -17.859 -6.197 1.00 62.53 C ATOM 1330 O ILE A 88 -11.431 -19.031 -6.147 1.00 0.14 O ATOM 1331 CB ILE A 88 -8.768 -17.333 -5.301 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.266 -17.435 -5.643 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -9.136 -18.371 -4.234 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.709 -16.238 -6.377 1.00 42.04 C ATOM 0 H ILE A 88 -9.092 -15.538 -7.081 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.209 -18.322 -7.160 1.00 12.41 H new ATOM 0 HB ILE A 88 -8.969 -16.340 -4.898 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -6.704 -17.573 -4.719 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -7.104 -18.326 -6.250 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.510 -18.226 -3.354 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.184 -18.253 -3.957 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -8.977 -19.373 -4.631 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.649 -16.395 -6.577 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.241 -16.109 -7.320 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -6.835 -15.345 -5.765 1.00 42.04 H new ATOM 1346 N SER A 89 -11.912 -16.849 -5.966 1.00 54.03 N ATOM 1347 CA SER A 89 -13.302 -17.075 -5.576 1.00 31.54 C ATOM 1348 C SER A 89 -14.056 -17.819 -6.679 1.00 63.41 C ATOM 1349 O SER A 89 -14.690 -18.850 -6.431 1.00 50.42 O ATOM 1350 CB SER A 89 -13.996 -15.742 -5.271 1.00 55.52 C ATOM 1351 OG SER A 89 -15.355 -15.936 -4.914 1.00 41.44 O ATOM 0 H SER A 89 -11.650 -15.866 -6.042 1.00 54.03 H new ATOM 0 HA SER A 89 -13.308 -17.688 -4.675 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.474 -15.235 -4.459 1.00 55.52 H new ATOM 0 HB3 SER A 89 -13.937 -15.091 -6.143 1.00 55.52 H new ATOM 0 HG SER A 89 -15.770 -15.069 -4.724 1.00 41.44 H new ATOM 1357 N ARG A 90 -13.956 -17.305 -7.905 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.650 -17.906 -9.043 1.00 54.03 C ATOM 1359 C ARG A 90 -14.128 -19.320 -9.280 1.00 24.50 C ATOM 1360 O ARG A 90 -14.891 -20.296 -9.262 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.462 -17.044 -10.300 1.00 2.20 C ATOM 1362 CG ARG A 90 -14.987 -15.617 -10.142 1.00 50.34 C ATOM 1363 CD ARG A 90 -14.686 -14.744 -11.358 1.00 62.12 C ATOM 1364 NE ARG A 90 -15.435 -15.158 -12.551 1.00 24.24 N ATOM 1365 CZ ARG A 90 -15.891 -14.311 -13.480 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -15.728 -13.000 -13.331 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -16.534 -14.779 -14.541 1.00 40.20 N ATOM 0 H ARG A 90 -13.404 -16.478 -8.134 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.716 -17.958 -8.821 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.402 -17.007 -10.551 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -14.972 -17.520 -11.138 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -16.064 -15.646 -9.978 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -14.541 -15.166 -9.256 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -14.927 -13.707 -11.124 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -13.618 -14.783 -11.573 1.00 62.12 H new ATOM 0 HE ARG A 90 -15.619 -16.153 -12.679 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -15.253 -12.636 -12.505 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -16.078 -12.358 -14.043 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -16.680 -15.783 -14.647 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -16.883 -14.135 -15.251 1.00 40.20 H new ATOM 1381 N VAL A 91 -12.813 -19.424 -9.454 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.163 -20.705 -9.701 1.00 73.33 C ATOM 1383 C VAL A 91 -12.528 -21.713 -8.608 1.00 11.43 C ATOM 1384 O VAL A 91 -12.993 -22.816 -8.904 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.620 -20.553 -9.778 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -9.942 -21.902 -9.997 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.225 -19.574 -10.882 1.00 44.15 C ATOM 0 H VAL A 91 -12.174 -18.629 -9.428 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.520 -21.072 -10.663 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.280 -20.154 -8.823 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -8.862 -21.763 -10.047 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.184 -22.569 -9.170 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.295 -22.339 -10.931 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.139 -19.484 -10.917 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.590 -19.941 -11.841 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.664 -18.598 -10.677 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.347 -21.311 -7.348 1.00 14.51 N ATOM 1398 CA ALA A 92 -12.613 -22.186 -6.207 1.00 51.41 C ATOM 1399 C ALA A 92 -14.070 -22.627 -6.176 1.00 45.24 C ATOM 1400 O ALA A 92 -14.378 -23.757 -5.797 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.236 -21.509 -4.895 1.00 45.23 C ATOM 0 H ALA A 92 -12.016 -20.381 -7.093 1.00 14.51 H new ATOM 0 HA ALA A 92 -11.991 -23.073 -6.326 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -12.445 -22.183 -4.064 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.174 -21.263 -4.905 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -12.819 -20.596 -4.776 1.00 45.23 H new ATOM 1407 N SER A 93 -14.962 -21.727 -6.571 1.00 15.05 N ATOM 1408 CA SER A 93 -16.383 -22.039 -6.646 1.00 62.23 C ATOM 1409 C SER A 93 -16.624 -23.138 -7.683 1.00 73.41 C ATOM 1410 O SER A 93 -17.376 -24.086 -7.438 1.00 13.21 O ATOM 1411 CB SER A 93 -17.177 -20.780 -7.010 1.00 70.15 C ATOM 1412 OG SER A 93 -18.575 -20.969 -6.854 1.00 11.51 O ATOM 0 H SER A 93 -14.725 -20.773 -6.845 1.00 15.05 H new ATOM 0 HA SER A 93 -16.721 -22.397 -5.673 1.00 62.23 H new ATOM 0 HB2 SER A 93 -16.851 -19.951 -6.381 1.00 70.15 H new ATOM 0 HB3 SER A 93 -16.962 -20.501 -8.042 1.00 70.15 H new ATOM 0 HG SER A 93 -19.046 -20.144 -7.094 1.00 11.51 H new ATOM 1418 N ARG A 94 -15.971 -23.010 -8.841 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.141 -23.981 -9.925 1.00 3.43 C ATOM 1420 C ARG A 94 -15.665 -25.360 -9.489 1.00 32.51 C ATOM 1421 O ARG A 94 -16.410 -26.334 -9.557 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.356 -23.566 -11.174 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.492 -22.101 -11.552 1.00 61.23 C ATOM 1424 CD ARG A 94 -16.953 -21.656 -11.588 1.00 13.22 C ATOM 1425 NE ARG A 94 -17.089 -20.256 -11.987 1.00 3.54 N ATOM 1426 CZ ARG A 94 -17.758 -19.332 -11.294 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -18.384 -19.655 -10.171 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -17.819 -18.088 -11.747 1.00 21.02 N ATOM 0 H ARG A 94 -15.324 -22.250 -9.051 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.204 -24.012 -10.164 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.301 -23.789 -11.014 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -15.687 -24.176 -12.014 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -14.943 -21.489 -10.836 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -15.037 -21.934 -12.529 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.507 -22.287 -12.283 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.400 -21.798 -10.604 1.00 13.22 H new ATOM 0 HE ARG A 94 -16.641 -19.965 -12.856 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -18.357 -20.616 -9.830 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -18.893 -18.943 -9.648 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -17.356 -17.840 -12.621 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -18.329 -17.378 -11.221 1.00 21.02 H new ATOM 1442 N LEU A 95 -14.420 -25.427 -9.026 1.00 55.01 N ATOM 1443 CA LEU A 95 -13.814 -26.694 -8.615 1.00 15.52 C ATOM 1444 C LEU A 95 -14.524 -27.271 -7.391 1.00 70.41 C ATOM 1445 O LEU A 95 -14.548 -28.489 -7.200 1.00 61.13 O ATOM 1446 CB LEU A 95 -12.309 -26.524 -8.369 1.00 62.31 C ATOM 1447 CG LEU A 95 -11.913 -25.442 -7.349 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -11.601 -26.045 -5.980 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -10.739 -24.620 -7.872 1.00 73.21 C ATOM 0 H LEU A 95 -13.808 -24.617 -8.925 1.00 55.01 H new ATOM 0 HA LEU A 95 -13.936 -27.410 -9.428 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -11.905 -27.479 -8.032 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -11.829 -26.293 -9.320 1.00 62.31 H new ATOM 0 HG LEU A 95 -12.766 -24.776 -7.218 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.325 -25.250 -5.287 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -12.481 -26.567 -5.603 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -10.774 -26.749 -6.072 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -10.472 -23.859 -7.138 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -9.884 -25.274 -8.044 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.021 -24.138 -8.808 1.00 73.21 H new ATOM 1461 N ALA A 96 -15.094 -26.398 -6.559 1.00 40.45 N ATOM 1462 CA ALA A 96 -15.933 -26.839 -5.447 1.00 52.43 C ATOM 1463 C ALA A 96 -17.061 -27.719 -5.979 1.00 51.03 C ATOM 1464 O ALA A 96 -17.329 -28.799 -5.451 1.00 52.32 O ATOM 1465 CB ALA A 96 -16.498 -25.644 -4.683 1.00 5.15 C ATOM 0 H ALA A 96 -14.990 -25.386 -6.634 1.00 40.45 H new ATOM 0 HA ALA A 96 -15.324 -27.418 -4.753 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -17.119 -25.999 -3.860 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -15.678 -25.045 -4.287 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -17.101 -25.034 -5.356 1.00 5.15 H new ATOM 1471 N ALA A 97 -17.707 -27.248 -7.046 1.00 43.02 N ATOM 1472 CA ALA A 97 -18.734 -28.033 -7.735 1.00 4.04 C ATOM 1473 C ALA A 97 -18.087 -29.068 -8.661 1.00 60.22 C ATOM 1474 O ALA A 97 -18.729 -30.030 -9.089 1.00 2.12 O ATOM 1475 CB ALA A 97 -19.668 -27.115 -8.521 1.00 52.53 C ATOM 0 H ALA A 97 -17.538 -26.328 -7.452 1.00 43.02 H new ATOM 0 HA ALA A 97 -19.324 -28.564 -6.988 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -20.425 -27.714 -9.027 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.153 -26.418 -7.838 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -19.093 -26.557 -9.260 1.00 52.53 H new ATOM 1481 N GLY A 98 -16.803 -28.857 -8.948 1.00 10.24 N ATOM 1482 CA GLY A 98 -16.050 -29.727 -9.838 1.00 71.13 C ATOM 1483 C GLY A 98 -15.717 -31.074 -9.226 1.00 75.14 C ATOM 1484 O GLY A 98 -15.108 -31.922 -9.879 1.00 24.30 O ATOM 0 H GLY A 98 -16.261 -28.080 -8.570 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -16.623 -29.883 -10.752 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -15.124 -29.228 -10.124 1.00 71.13 H new ATOM 1488 N GLY A 99 -16.088 -31.271 -7.964 1.00 44.44 N ATOM 1489 CA GLY A 99 -15.987 -32.587 -7.356 1.00 11.31 C ATOM 1490 C GLY A 99 -17.079 -33.485 -7.892 1.00 2.41 C ATOM 1491 O GLY A 99 -17.939 -33.941 -7.137 1.00 24.34 O ATOM 0 H GLY A 99 -16.457 -30.543 -7.351 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -15.010 -33.021 -7.568 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -16.071 -32.504 -6.272 1.00 11.31 H new ATOM 1495 N TRP A 100 -16.996 -33.761 -9.199 1.00 33.12 N ATOM 1496 CA TRP A 100 -18.108 -34.270 -10.013 1.00 54.53 C ATOM 1497 C TRP A 100 -19.006 -35.287 -9.300 1.00 63.43 C ATOM 1498 O TRP A 100 -18.658 -36.465 -9.173 1.00 14.14 O ATOM 1499 CB TRP A 100 -17.570 -34.903 -11.307 1.00 53.11 C ATOM 1500 CG TRP A 100 -17.002 -33.911 -12.282 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -15.717 -33.453 -12.339 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -17.707 -33.265 -13.350 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -15.580 -32.557 -13.371 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -16.787 -32.426 -14.009 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -19.026 -33.315 -13.812 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -17.148 -31.643 -15.105 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -19.383 -32.539 -14.898 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -18.446 -31.714 -15.535 1.00 25.43 C ATOM 0 H TRP A 100 -16.136 -33.634 -9.732 1.00 33.12 H new ATOM 0 HA TRP A 100 -18.730 -33.400 -10.225 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -16.798 -35.628 -11.051 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -18.376 -35.454 -11.792 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -14.924 -33.752 -11.670 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -14.720 -32.069 -13.622 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -19.754 -33.950 -13.328 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -16.430 -31.004 -15.597 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -20.400 -32.569 -15.262 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -18.755 -31.121 -16.384 1.00 25.43 H new ATOM 1519 N PRO A 101 -20.159 -34.817 -8.781 1.00 54.45 N ATOM 1520 CA PRO A 101 -21.286 -35.655 -8.411 1.00 61.44 C ATOM 1521 C PRO A 101 -22.433 -35.483 -9.415 1.00 74.42 C ATOM 1522 O PRO A 101 -23.497 -36.094 -9.288 1.00 34.13 O ATOM 1523 CB PRO A 101 -21.663 -35.047 -7.058 1.00 45.13 C ATOM 1524 CG PRO A 101 -21.376 -33.574 -7.213 1.00 52.13 C ATOM 1525 CD PRO A 101 -20.445 -33.419 -8.408 1.00 25.12 C ATOM 0 HA PRO A 101 -21.072 -36.723 -8.386 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -22.712 -35.224 -6.822 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -21.076 -35.483 -6.250 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -22.300 -33.017 -7.370 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -20.913 -33.175 -6.310 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -20.920 -32.872 -9.223 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -19.537 -32.876 -8.146 1.00 25.12 H new ATOM 1533 N LEU A 102 -22.175 -34.649 -10.422 1.00 10.31 N ATOM 1534 CA LEU A 102 -23.201 -34.130 -11.318 1.00 74.21 C ATOM 1535 C LEU A 102 -23.216 -34.870 -12.651 1.00 33.31 C ATOM 1536 O LEU A 102 -22.188 -35.369 -13.114 1.00 3.42 O ATOM 1537 CB LEU A 102 -22.942 -32.630 -11.559 1.00 54.21 C ATOM 1538 CG LEU A 102 -23.917 -31.918 -12.517 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -25.331 -31.913 -11.947 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -23.443 -30.493 -12.810 1.00 12.44 C ATOM 0 H LEU A 102 -21.237 -34.313 -10.639 1.00 10.31 H new ATOM 0 HA LEU A 102 -24.173 -34.279 -10.849 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -22.971 -32.118 -10.597 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -21.931 -32.515 -11.951 1.00 54.21 H new ATOM 0 HG LEU A 102 -23.934 -32.470 -13.457 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -26.001 -31.405 -12.641 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -25.669 -32.939 -11.802 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -25.336 -31.391 -10.990 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -24.145 -30.008 -13.488 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -23.389 -29.929 -11.879 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -22.456 -30.526 -13.272 1.00 12.44 H new ATOM 1552 N ALA A 103 -24.395 -34.930 -13.256 1.00 35.13 N ATOM 1553 CA ALA A 103 -24.574 -35.485 -14.586 1.00 1.22 C ATOM 1554 C ALA A 103 -25.669 -34.711 -15.312 1.00 44.52 C ATOM 1555 O ALA A 103 -26.770 -34.550 -14.782 1.00 71.31 O ATOM 1556 CB ALA A 103 -24.923 -36.964 -14.502 1.00 34.24 C ATOM 0 H ALA A 103 -25.259 -34.592 -12.832 1.00 35.13 H new ATOM 0 HA ALA A 103 -23.643 -35.392 -15.145 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -25.054 -37.365 -15.507 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -24.118 -37.500 -14.000 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -25.848 -37.088 -13.939 1.00 34.24 H new ATOM 1562 N GLY A 104 -25.364 -34.214 -16.506 1.00 1.03 N ATOM 1563 CA GLY A 104 -26.332 -33.426 -17.253 1.00 34.40 C ATOM 1564 C GLY A 104 -25.672 -32.438 -18.188 1.00 2.44 C ATOM 1565 O GLY A 104 -25.971 -32.418 -19.383 1.00 60.53 O ATOM 0 H GLY A 104 -24.465 -34.342 -16.971 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -26.974 -34.094 -17.828 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -26.975 -32.889 -16.556 1.00 34.40 H new ATOM 1569 N VAL A 105 -24.769 -31.626 -17.630 1.00 75.25 N ATOM 1570 CA VAL A 105 -24.048 -30.596 -18.378 1.00 23.35 C ATOM 1571 C VAL A 105 -24.973 -29.455 -18.834 1.00 14.03 C ATOM 1572 O VAL A 105 -26.132 -29.675 -19.192 1.00 43.04 O ATOM 1573 CB VAL A 105 -23.315 -31.219 -19.592 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -22.769 -30.147 -20.533 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -22.196 -32.151 -19.124 1.00 71.45 C ATOM 0 H VAL A 105 -24.518 -31.666 -16.642 1.00 75.25 H new ATOM 0 HA VAL A 105 -23.310 -30.163 -17.702 1.00 23.35 H new ATOM 0 HB VAL A 105 -24.044 -31.805 -20.152 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -22.262 -30.623 -21.372 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -23.592 -29.537 -20.906 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -22.063 -29.515 -19.994 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -21.693 -32.579 -19.991 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -21.478 -31.587 -18.529 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -22.619 -32.952 -18.518 1.00 71.45 H new ATOM 1585 N ASP A 106 -24.450 -28.230 -18.801 1.00 34.34 N ATOM 1586 CA ASP A 106 -25.182 -27.048 -19.263 1.00 34.40 C ATOM 1587 C ASP A 106 -24.333 -26.310 -20.295 1.00 44.13 C ATOM 1588 O ASP A 106 -23.120 -26.513 -20.354 1.00 12.44 O ATOM 1589 CB ASP A 106 -25.518 -26.123 -18.079 1.00 3.44 C ATOM 1590 CG ASP A 106 -26.429 -24.959 -18.466 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -27.669 -25.128 -18.439 1.00 61.24 O ATOM 1592 OD2 ASP A 106 -25.912 -23.867 -18.792 1.00 25.55 O ATOM 0 H ASP A 106 -23.512 -28.028 -18.455 1.00 34.34 H new ATOM 0 HA ASP A 106 -26.121 -27.359 -19.721 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -25.999 -26.707 -17.295 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -24.592 -25.728 -17.660 1.00 3.44 H new ATOM 1597 N SER A 107 -24.960 -25.470 -21.111 1.00 25.45 N ATOM 1598 CA SER A 107 -24.254 -24.777 -22.185 1.00 20.22 C ATOM 1599 C SER A 107 -24.139 -23.278 -21.893 1.00 62.13 C ATOM 1600 O SER A 107 -23.070 -22.686 -22.056 1.00 71.25 O ATOM 1601 CB SER A 107 -24.979 -25.008 -23.519 1.00 31.03 C ATOM 1602 OG SER A 107 -24.271 -24.437 -24.610 1.00 63.21 O ATOM 0 H SER A 107 -25.955 -25.252 -21.050 1.00 25.45 H new ATOM 0 HA SER A 107 -23.244 -25.183 -22.251 1.00 20.22 H new ATOM 0 HB2 SER A 107 -25.102 -26.078 -23.685 1.00 31.03 H new ATOM 0 HB3 SER A 107 -25.979 -24.577 -23.469 1.00 31.03 H new ATOM 0 HG SER A 107 -24.761 -24.605 -25.442 1.00 63.21 H new ATOM 1608 N THR A 108 -25.236 -22.673 -21.446 1.00 52.43 N ATOM 1609 CA THR A 108 -25.284 -21.229 -21.220 1.00 65.30 C ATOM 1610 C THR A 108 -24.311 -20.792 -20.120 1.00 75.14 C ATOM 1611 O THR A 108 -23.787 -19.676 -20.148 1.00 15.14 O ATOM 1612 CB THR A 108 -26.722 -20.773 -20.863 1.00 33.03 C ATOM 1613 OG1 THR A 108 -27.282 -21.643 -19.868 1.00 25.35 O ATOM 1614 CG2 THR A 108 -27.621 -20.769 -22.096 1.00 32.14 C ATOM 0 H THR A 108 -26.106 -23.160 -21.232 1.00 52.43 H new ATOM 0 HA THR A 108 -24.979 -20.750 -22.151 1.00 65.30 H new ATOM 0 HB THR A 108 -26.664 -19.757 -20.472 1.00 33.03 H new ATOM 0 HG1 THR A 108 -26.585 -22.243 -19.529 1.00 25.35 H new ATOM 0 HG21 THR A 108 -28.623 -20.445 -21.815 1.00 32.14 H new ATOM 0 HG22 THR A 108 -27.214 -20.085 -22.841 1.00 32.14 H new ATOM 0 HG23 THR A 108 -27.669 -21.774 -22.515 1.00 32.14 H new ATOM 1622 N ALA A 109 -24.050 -21.686 -19.169 1.00 54.00 N ATOM 1623 CA ALA A 109 -23.180 -21.371 -18.035 1.00 24.21 C ATOM 1624 C ALA A 109 -21.703 -21.513 -18.400 1.00 11.04 C ATOM 1625 O ALA A 109 -20.826 -21.331 -17.556 1.00 23.33 O ATOM 1626 CB ALA A 109 -23.528 -22.258 -16.844 1.00 14.02 C ATOM 0 H ALA A 109 -24.427 -22.634 -19.160 1.00 54.00 H new ATOM 0 HA ALA A 109 -23.349 -20.329 -17.762 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -22.875 -22.015 -16.006 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -24.566 -22.089 -16.556 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -23.393 -23.304 -17.118 1.00 14.02 H new ATOM 1632 N LEU A 110 -21.434 -21.835 -19.658 1.00 1.22 N ATOM 1633 CA LEU A 110 -20.066 -22.032 -20.133 1.00 62.21 C ATOM 1634 C LEU A 110 -19.623 -20.871 -21.023 1.00 32.34 C ATOM 1635 O LEU A 110 -18.578 -20.937 -21.669 1.00 74.23 O ATOM 1636 CB LEU A 110 -19.965 -23.362 -20.896 1.00 35.40 C ATOM 1637 CG LEU A 110 -19.759 -24.623 -20.028 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -20.895 -24.805 -19.025 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -19.612 -25.863 -20.910 1.00 71.20 C ATOM 0 H LEU A 110 -22.148 -21.967 -20.374 1.00 1.22 H new ATOM 0 HA LEU A 110 -19.401 -22.065 -19.270 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -20.875 -23.492 -21.482 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -19.138 -23.292 -21.602 1.00 35.40 H new ATOM 0 HG LEU A 110 -18.838 -24.489 -19.460 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -20.716 -25.702 -18.432 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -20.941 -23.938 -18.366 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -21.840 -24.906 -19.559 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -19.468 -26.742 -20.281 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -20.512 -25.991 -21.511 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -18.751 -25.742 -21.567 1.00 71.20 H new ATOM 1651 N ASN A 111 -20.419 -19.804 -21.046 1.00 2.03 N ATOM 1652 CA ASN A 111 -20.113 -18.632 -21.865 1.00 51.20 C ATOM 1653 C ASN A 111 -20.317 -17.346 -21.066 1.00 3.43 C ATOM 1654 O ASN A 111 -21.452 -16.892 -20.879 1.00 20.31 O ATOM 1655 CB ASN A 111 -20.987 -18.607 -23.129 1.00 51.14 C ATOM 1656 CG ASN A 111 -20.731 -17.385 -24.009 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -21.652 -16.859 -24.636 1.00 64.14 O ATOM 1658 ND2 ASN A 111 -19.483 -16.941 -24.085 1.00 71.21 N ATOM 0 H ASN A 111 -21.281 -19.726 -20.507 1.00 2.03 H new ATOM 0 HA ASN A 111 -19.067 -18.697 -22.164 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -20.802 -19.511 -23.710 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -22.037 -18.624 -22.838 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -19.262 -16.140 -24.676 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -18.745 -17.401 -23.552 1.00 71.21 H new ATOM 1665 N ALA A 112 -19.213 -16.786 -20.578 1.00 65.35 N ATOM 1666 CA ALA A 112 -19.221 -15.510 -19.868 1.00 3.51 C ATOM 1667 C ALA A 112 -17.782 -15.055 -19.619 1.00 55.23 C ATOM 1668 O ALA A 112 -17.542 -14.292 -18.660 1.00 20.44 O ATOM 1669 CB ALA A 112 -19.996 -15.628 -18.554 1.00 24.13 C ATOM 1670 OXT ALA A 112 -16.886 -15.495 -20.373 1.00 0.00 O ATOM 0 H ALA A 112 -18.287 -17.205 -20.664 1.00 65.35 H new ATOM 0 HA ALA A 112 -19.724 -14.762 -20.481 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -19.990 -14.667 -18.040 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -21.025 -15.921 -18.763 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -19.526 -16.381 -17.921 1.00 24.13 H new TER 1676 ALA A 112