USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 914 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 63 TYR OH : rot -38:sc= 1.34 USER MOD Set 1.2: A 65 CYS SG : rot 180:sc= 0.72 USER MOD Set 1.3: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 ASN : amide:sc= 0.642 K(o=1.4,f=-0.86) USER MOD Set 2.2: A 19 LYS NZ :NH3+ -151:sc= 0.73 (180deg=0) USER MOD Set 3.1: A 1 MET N :NH3+ 166:sc= -0.0281 (180deg=-0.41) USER MOD Set 3.2: A 5 MET CE :methyl -139:sc= -1.19 (180deg=-2.94!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.5!) USER MOD Single : A 11 CYS SG : rot -78:sc= -0.137 USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= 0.391 (180deg=0.086) USER MOD Single : A 23 THR OG1 : rot 61:sc= 0.645 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -145:sc= -0.739 (180deg=-2.78!) USER MOD Single : A 33 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= -0.463 (180deg=-0.492) USER MOD Single : A 43 LYS NZ :NH3+ -112:sc= -0.541 (180deg=-3.72!) USER MOD Single : A 45 ASN : amide:sc= -0.026 K(o=-0.026,f=-1.3) USER MOD Single : A 56 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.4) USER MOD Single : A 58 CYS SG : rot 170:sc= -0.52 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -1.21 K(o=-1.2,f=-4.9!) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.58) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 81:sc= 0.875 USER MOD Single : A 87 TYR OH : rot -170:sc= 0.614 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 42:sc= -2.68 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -124:sc= -0.139 (180deg=-0.376) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 109 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-0.72) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.247 0.265 1.367 1.00 44.03 N ATOM 2 CA MET A 1 2.521 0.437 -0.055 1.00 53.53 C ATOM 3 C MET A 1 3.289 -0.758 -0.610 1.00 53.02 C ATOM 4 O MET A 1 4.055 -0.627 -1.564 1.00 54.34 O ATOM 5 CB MET A 1 3.315 1.723 -0.292 1.00 4.24 C ATOM 6 CG MET A 1 4.554 1.841 0.582 1.00 41.14 C ATOM 7 SD MET A 1 5.605 3.229 0.113 1.00 52.43 S ATOM 8 CE MET A 1 7.207 2.432 0.040 1.00 71.12 C ATOM 0 H1 MET A 1 1.942 1.172 1.774 1.00 44.03 H new ATOM 0 H2 MET A 1 1.494 -0.441 1.493 1.00 44.03 H new ATOM 0 H3 MET A 1 3.109 -0.059 1.850 1.00 44.03 H new ATOM 0 HA MET A 1 1.567 0.507 -0.577 1.00 53.53 H new ATOM 0 HB2 MET A 1 3.613 1.769 -1.339 1.00 4.24 H new ATOM 0 HB3 MET A 1 2.667 2.580 -0.108 1.00 4.24 H new ATOM 0 HG2 MET A 1 4.250 1.956 1.623 1.00 41.14 H new ATOM 0 HG3 MET A 1 5.129 0.917 0.518 1.00 41.14 H new ATOM 0 HE1 MET A 1 7.965 3.164 -0.239 1.00 71.12 H new ATOM 0 HE2 MET A 1 7.449 2.012 1.016 1.00 71.12 H new ATOM 0 HE3 MET A 1 7.183 1.634 -0.702 1.00 71.12 H new ATOM 18 N ALA A 2 3.078 -1.923 -0.006 1.00 5.10 N ATOM 19 CA ALA A 2 3.750 -3.141 -0.441 1.00 72.32 C ATOM 20 C ALA A 2 3.071 -4.378 0.137 1.00 61.53 C ATOM 21 O ALA A 2 2.126 -4.272 0.918 1.00 52.31 O ATOM 22 CB ALA A 2 5.217 -3.107 -0.041 1.00 45.25 C ATOM 0 H ALA A 2 2.447 -2.049 0.786 1.00 5.10 H new ATOM 0 HA ALA A 2 3.683 -3.195 -1.528 1.00 72.32 H new ATOM 0 HB1 ALA A 2 5.706 -4.023 -0.372 1.00 45.25 H new ATOM 0 HB2 ALA A 2 5.701 -2.248 -0.506 1.00 45.25 H new ATOM 0 HB3 ALA A 2 5.297 -3.025 1.043 1.00 45.25 H new ATOM 28 N SER A 3 3.559 -5.552 -0.253 1.00 11.11 N ATOM 29 CA SER A 3 2.996 -6.810 0.223 1.00 0.03 C ATOM 30 C SER A 3 1.484 -6.839 0.022 1.00 70.30 C ATOM 31 O SER A 3 0.921 -5.988 -0.665 1.00 2.32 O ATOM 32 CB SER A 3 3.329 -7.015 1.702 1.00 0.45 C ATOM 33 OG SER A 3 4.690 -6.718 1.965 1.00 53.13 O ATOM 0 H SER A 3 4.343 -5.658 -0.897 1.00 11.11 H new ATOM 0 HA SER A 3 3.438 -7.620 -0.357 1.00 0.03 H new ATOM 0 HB2 SER A 3 2.690 -6.378 2.313 1.00 0.45 H new ATOM 0 HB3 SER A 3 3.117 -8.046 1.986 1.00 0.45 H new ATOM 0 HG SER A 3 4.877 -6.855 2.917 1.00 53.13 H new ATOM 39 N GLY A 4 0.832 -7.828 0.627 1.00 54.51 N ATOM 40 CA GLY A 4 -0.609 -7.951 0.502 1.00 0.24 C ATOM 41 C GLY A 4 -1.332 -6.658 0.825 1.00 44.12 C ATOM 42 O GLY A 4 -1.488 -6.301 1.992 1.00 31.21 O ATOM 0 H GLY A 4 1.276 -8.545 1.201 1.00 54.51 H new ATOM 0 HA2 GLY A 4 -0.857 -8.259 -0.514 1.00 0.24 H new ATOM 0 HA3 GLY A 4 -0.963 -8.738 1.169 1.00 0.24 H new ATOM 46 N MET A 5 -1.772 -5.953 -0.213 1.00 24.34 N ATOM 47 CA MET A 5 -2.481 -4.692 -0.033 1.00 51.14 C ATOM 48 C MET A 5 -3.734 -4.889 0.814 1.00 10.42 C ATOM 49 O MET A 5 -4.239 -6.003 0.943 1.00 12.13 O ATOM 50 CB MET A 5 -2.858 -4.097 -1.391 1.00 52.24 C ATOM 51 CG MET A 5 -2.071 -2.846 -1.747 1.00 23.05 C ATOM 52 SD MET A 5 -2.344 -1.499 -0.580 1.00 10.41 S ATOM 53 CE MET A 5 -0.753 -0.678 -0.632 1.00 1.20 C ATOM 0 H MET A 5 -1.650 -6.234 -1.186 1.00 24.34 H new ATOM 0 HA MET A 5 -1.817 -4.001 0.487 1.00 51.14 H new ATOM 0 HB2 MET A 5 -2.699 -4.849 -2.164 1.00 52.24 H new ATOM 0 HB3 MET A 5 -3.922 -3.859 -1.391 1.00 52.24 H new ATOM 0 HG2 MET A 5 -1.008 -3.086 -1.777 1.00 23.05 H new ATOM 0 HG3 MET A 5 -2.352 -2.517 -2.748 1.00 23.05 H new ATOM 0 HE1 MET A 5 -0.463 -0.381 0.376 1.00 1.20 H new ATOM 0 HE2 MET A 5 -0.005 -1.359 -1.039 1.00 1.20 H new ATOM 0 HE3 MET A 5 -0.821 0.207 -1.265 1.00 1.20 H new ATOM 63 N GLY A 6 -4.231 -3.798 1.391 1.00 63.13 N ATOM 64 CA GLY A 6 -5.420 -3.873 2.219 1.00 70.11 C ATOM 65 C GLY A 6 -6.662 -4.217 1.420 1.00 23.15 C ATOM 66 O GLY A 6 -7.178 -3.386 0.673 1.00 33.13 O ATOM 0 H GLY A 6 -3.831 -2.864 1.299 1.00 63.13 H new ATOM 0 HA2 GLY A 6 -5.272 -4.624 2.995 1.00 70.11 H new ATOM 0 HA3 GLY A 6 -5.569 -2.918 2.723 1.00 70.11 H new ATOM 70 N VAL A 7 -7.142 -5.447 1.577 1.00 51.34 N ATOM 71 CA VAL A 7 -8.331 -5.899 0.864 1.00 62.31 C ATOM 72 C VAL A 7 -9.594 -5.286 1.458 1.00 72.55 C ATOM 73 O VAL A 7 -9.969 -5.587 2.591 1.00 70.41 O ATOM 74 CB VAL A 7 -8.454 -7.434 0.896 1.00 60.30 C ATOM 75 CG1 VAL A 7 -7.374 -8.075 0.037 1.00 13.21 C ATOM 76 CG2 VAL A 7 -8.381 -7.944 2.327 1.00 23.42 C ATOM 0 H VAL A 7 -6.726 -6.147 2.191 1.00 51.34 H new ATOM 0 HA VAL A 7 -8.224 -5.572 -0.170 1.00 62.31 H new ATOM 0 HB VAL A 7 -9.424 -7.712 0.484 1.00 60.30 H new ATOM 0 HG11 VAL A 7 -7.477 -9.160 0.072 1.00 13.21 H new ATOM 0 HG12 VAL A 7 -7.478 -7.734 -0.993 1.00 13.21 H new ATOM 0 HG13 VAL A 7 -6.392 -7.791 0.416 1.00 13.21 H new ATOM 0 HG21 VAL A 7 -8.470 -9.030 2.331 1.00 23.42 H new ATOM 0 HG22 VAL A 7 -7.427 -7.656 2.768 1.00 23.42 H new ATOM 0 HG23 VAL A 7 -9.195 -7.512 2.909 1.00 23.42 H new ATOM 86 N ASP A 8 -10.247 -4.426 0.684 1.00 11.24 N ATOM 87 CA ASP A 8 -11.470 -3.771 1.133 1.00 55.12 C ATOM 88 C ASP A 8 -12.696 -4.402 0.479 1.00 22.31 C ATOM 89 O ASP A 8 -12.576 -5.156 -0.486 1.00 33.20 O ATOM 90 CB ASP A 8 -11.420 -2.276 0.814 1.00 53.11 C ATOM 91 CG ASP A 8 -12.287 -1.455 1.749 1.00 71.25 C ATOM 92 OD1 ASP A 8 -12.227 -1.691 2.973 1.00 30.21 O ATOM 93 OD2 ASP A 8 -13.026 -0.577 1.255 1.00 32.43 O ATOM 0 H ASP A 8 -9.950 -4.166 -0.257 1.00 11.24 H new ATOM 0 HA ASP A 8 -11.548 -3.902 2.212 1.00 55.12 H new ATOM 0 HB2 ASP A 8 -10.389 -1.928 0.879 1.00 53.11 H new ATOM 0 HB3 ASP A 8 -11.746 -2.116 -0.214 1.00 53.11 H new ATOM 98 N GLU A 9 -13.872 -4.089 1.013 1.00 34.50 N ATOM 99 CA GLU A 9 -15.119 -4.628 0.482 1.00 61.30 C ATOM 100 C GLU A 9 -15.365 -4.131 -0.940 1.00 23.14 C ATOM 101 O GLU A 9 -16.209 -4.665 -1.658 1.00 23.11 O ATOM 102 CB GLU A 9 -16.294 -4.237 1.381 1.00 24.11 C ATOM 103 CG GLU A 9 -16.319 -2.761 1.741 1.00 30.35 C ATOM 104 CD GLU A 9 -17.682 -2.132 1.528 1.00 40.03 C ATOM 105 OE1 GLU A 9 -18.187 -2.182 0.387 1.00 71.51 O ATOM 106 OE2 GLU A 9 -18.243 -1.589 2.502 1.00 35.03 O ATOM 0 H GLU A 9 -13.988 -3.466 1.812 1.00 34.50 H new ATOM 0 HA GLU A 9 -15.034 -5.714 0.459 1.00 61.30 H new ATOM 0 HB2 GLU A 9 -17.226 -4.496 0.879 1.00 24.11 H new ATOM 0 HB3 GLU A 9 -16.251 -4.825 2.298 1.00 24.11 H new ATOM 0 HG2 GLU A 9 -16.026 -2.640 2.784 1.00 30.35 H new ATOM 0 HG3 GLU A 9 -15.580 -2.231 1.139 1.00 30.35 H new ATOM 113 N ASN A 10 -14.621 -3.104 -1.338 1.00 21.11 N ATOM 114 CA ASN A 10 -14.758 -2.533 -2.673 1.00 33.12 C ATOM 115 C ASN A 10 -14.175 -3.469 -3.727 1.00 41.23 C ATOM 116 O ASN A 10 -14.767 -3.672 -4.788 1.00 14.22 O ATOM 117 CB ASN A 10 -14.063 -1.172 -2.742 1.00 11.10 C ATOM 118 CG ASN A 10 -14.909 -0.060 -2.152 1.00 71.03 C ATOM 119 OD1 ASN A 10 -14.466 0.668 -1.264 1.00 44.01 O ATOM 120 ND2 ASN A 10 -16.135 0.075 -2.645 1.00 43.52 N ATOM 0 H ASN A 10 -13.917 -2.650 -0.755 1.00 21.11 H new ATOM 0 HA ASN A 10 -15.820 -2.401 -2.878 1.00 33.12 H new ATOM 0 HB2 ASN A 10 -13.114 -1.224 -2.209 1.00 11.10 H new ATOM 0 HB3 ASN A 10 -13.832 -0.937 -3.781 1.00 11.10 H new ATOM 0 HD21 ASN A 10 -16.751 0.805 -2.287 1.00 43.52 H new ATOM 0 HD22 ASN A 10 -16.460 -0.551 -3.381 1.00 43.52 H new ATOM 127 N CYS A 11 -13.012 -4.036 -3.428 1.00 45.23 N ATOM 128 CA CYS A 11 -12.347 -4.950 -4.350 1.00 73.34 C ATOM 129 C CYS A 11 -13.301 -6.050 -4.807 1.00 24.04 C ATOM 130 O CYS A 11 -13.154 -6.600 -5.898 1.00 62.30 O ATOM 131 CB CYS A 11 -11.115 -5.569 -3.689 1.00 11.13 C ATOM 132 SG CYS A 11 -11.479 -6.995 -2.638 1.00 62.04 S ATOM 0 H CYS A 11 -12.510 -3.879 -2.554 1.00 45.23 H new ATOM 0 HA CYS A 11 -12.032 -4.380 -5.224 1.00 73.34 H new ATOM 0 HB2 CYS A 11 -10.414 -5.873 -4.466 1.00 11.13 H new ATOM 0 HB3 CYS A 11 -10.616 -4.807 -3.090 1.00 11.13 H new ATOM 0 HG CYS A 11 -11.946 -6.585 -1.496 1.00 62.04 H new ATOM 138 N VAL A 12 -14.278 -6.367 -3.963 1.00 5.14 N ATOM 139 CA VAL A 12 -15.255 -7.402 -4.278 1.00 51.54 C ATOM 140 C VAL A 12 -16.444 -6.822 -5.037 1.00 5.51 C ATOM 141 O VAL A 12 -16.995 -7.462 -5.931 1.00 64.34 O ATOM 142 CB VAL A 12 -15.765 -8.100 -3.004 1.00 1.23 C ATOM 143 CG1 VAL A 12 -16.718 -9.231 -3.359 1.00 64.11 C ATOM 144 CG2 VAL A 12 -14.597 -8.615 -2.176 1.00 34.31 C ATOM 0 H VAL A 12 -14.414 -5.921 -3.056 1.00 5.14 H new ATOM 0 HA VAL A 12 -14.748 -8.135 -4.906 1.00 51.54 H new ATOM 0 HB VAL A 12 -16.312 -7.372 -2.405 1.00 1.23 H new ATOM 0 HG11 VAL A 12 -17.068 -9.712 -2.446 1.00 64.11 H new ATOM 0 HG12 VAL A 12 -17.570 -8.830 -3.907 1.00 64.11 H new ATOM 0 HG13 VAL A 12 -16.200 -9.963 -3.979 1.00 64.11 H new ATOM 0 HG21 VAL A 12 -14.975 -9.106 -1.279 1.00 34.31 H new ATOM 0 HG22 VAL A 12 -14.021 -9.329 -2.764 1.00 34.31 H new ATOM 0 HG23 VAL A 12 -13.957 -7.780 -1.890 1.00 34.31 H new ATOM 154 N ALA A 13 -16.833 -5.604 -4.674 1.00 33.04 N ATOM 155 CA ALA A 13 -17.955 -4.936 -5.322 1.00 10.15 C ATOM 156 C ALA A 13 -17.749 -4.855 -6.830 1.00 44.22 C ATOM 157 O ALA A 13 -18.710 -4.874 -7.600 1.00 4.45 O ATOM 158 CB ALA A 13 -18.149 -3.544 -4.738 1.00 30.21 C ATOM 0 H ALA A 13 -16.388 -5.060 -3.935 1.00 33.04 H new ATOM 0 HA ALA A 13 -18.853 -5.525 -5.136 1.00 10.15 H new ATOM 0 HB1 ALA A 13 -18.990 -3.057 -5.231 1.00 30.21 H new ATOM 0 HB2 ALA A 13 -18.350 -3.622 -3.670 1.00 30.21 H new ATOM 0 HB3 ALA A 13 -17.246 -2.955 -4.894 1.00 30.21 H new ATOM 164 N ARG A 14 -16.490 -4.764 -7.247 1.00 2.05 N ATOM 165 CA ARG A 14 -16.158 -4.678 -8.664 1.00 11.04 C ATOM 166 C ARG A 14 -16.056 -6.069 -9.284 1.00 13.45 C ATOM 167 O ARG A 14 -16.446 -6.278 -10.432 1.00 55.34 O ATOM 168 CB ARG A 14 -14.841 -3.925 -8.856 1.00 43.50 C ATOM 169 CG ARG A 14 -13.712 -4.438 -7.977 1.00 43.51 C ATOM 170 CD ARG A 14 -12.405 -4.534 -8.749 1.00 21.13 C ATOM 171 NE ARG A 14 -11.287 -4.910 -7.887 1.00 71.13 N ATOM 172 CZ ARG A 14 -10.948 -6.168 -7.630 1.00 73.52 C ATOM 173 NH1 ARG A 14 -11.637 -7.167 -8.166 1.00 11.31 N ATOM 174 NH2 ARG A 14 -9.918 -6.430 -6.836 1.00 30.40 N ATOM 0 H ARG A 14 -15.683 -4.748 -6.623 1.00 2.05 H new ATOM 0 HA ARG A 14 -16.957 -4.133 -9.166 1.00 11.04 H new ATOM 0 HB2 ARG A 14 -14.539 -3.999 -9.901 1.00 43.50 H new ATOM 0 HB3 ARG A 14 -15.003 -2.868 -8.645 1.00 43.50 H new ATOM 0 HG2 ARG A 14 -13.583 -3.773 -7.123 1.00 43.51 H new ATOM 0 HG3 ARG A 14 -13.975 -5.419 -7.581 1.00 43.51 H new ATOM 0 HD2 ARG A 14 -12.509 -5.268 -9.548 1.00 21.13 H new ATOM 0 HD3 ARG A 14 -12.192 -3.575 -9.222 1.00 21.13 H new ATOM 0 HE ARG A 14 -10.737 -4.165 -7.459 1.00 71.13 H new ATOM 0 HH11 ARG A 14 -12.429 -6.970 -8.777 1.00 11.31 H new ATOM 0 HH12 ARG A 14 -11.374 -8.132 -7.967 1.00 11.31 H new ATOM 0 HH21 ARG A 14 -9.386 -5.665 -6.422 1.00 30.40 H new ATOM 0 HH22 ARG A 14 -9.659 -7.397 -6.639 1.00 30.40 H new ATOM 188 N PHE A 15 -15.529 -7.016 -8.515 1.00 71.12 N ATOM 189 CA PHE A 15 -15.374 -8.386 -8.989 1.00 74.51 C ATOM 190 C PHE A 15 -16.728 -9.083 -9.091 1.00 13.04 C ATOM 191 O PHE A 15 -16.877 -10.072 -9.806 1.00 70.34 O ATOM 192 CB PHE A 15 -14.453 -9.171 -8.053 1.00 33.41 C ATOM 193 CG PHE A 15 -15.050 -10.461 -7.567 1.00 35.01 C ATOM 194 CD1 PHE A 15 -14.914 -11.625 -8.306 1.00 22.10 C ATOM 195 CD2 PHE A 15 -15.748 -10.509 -6.371 1.00 30.53 C ATOM 196 CE1 PHE A 15 -15.463 -12.813 -7.861 1.00 51.23 C ATOM 197 CE2 PHE A 15 -16.299 -11.694 -5.921 1.00 32.53 C ATOM 198 CZ PHE A 15 -16.156 -12.848 -6.667 1.00 4.23 C ATOM 0 H PHE A 15 -15.202 -6.860 -7.561 1.00 71.12 H new ATOM 0 HA PHE A 15 -14.927 -8.352 -9.983 1.00 74.51 H new ATOM 0 HB2 PHE A 15 -13.518 -9.385 -8.571 1.00 33.41 H new ATOM 0 HB3 PHE A 15 -14.205 -8.548 -7.194 1.00 33.41 H new ATOM 0 HD1 PHE A 15 -14.373 -11.604 -9.240 1.00 22.10 H new ATOM 0 HD2 PHE A 15 -15.863 -9.610 -5.784 1.00 30.53 H new ATOM 0 HE1 PHE A 15 -15.350 -13.713 -8.447 1.00 51.23 H new ATOM 0 HE2 PHE A 15 -16.841 -11.718 -4.987 1.00 32.53 H new ATOM 0 HZ PHE A 15 -16.585 -13.775 -6.317 1.00 4.23 H new ATOM 208 N ASN A 16 -17.712 -8.558 -8.368 1.00 35.33 N ATOM 209 CA ASN A 16 -19.054 -9.130 -8.375 1.00 13.43 C ATOM 210 C ASN A 16 -19.842 -8.653 -9.591 1.00 71.02 C ATOM 211 O ASN A 16 -20.877 -9.223 -9.935 1.00 21.44 O ATOM 212 CB ASN A 16 -19.798 -8.753 -7.092 1.00 32.12 C ATOM 213 CG ASN A 16 -20.909 -9.731 -6.759 1.00 41.34 C ATOM 214 OD1 ASN A 16 -20.652 -10.862 -6.347 1.00 54.10 O ATOM 215 ND2 ASN A 16 -22.151 -9.297 -6.938 1.00 74.43 N ATOM 0 H ASN A 16 -17.606 -7.738 -7.770 1.00 35.33 H new ATOM 0 HA ASN A 16 -18.960 -10.215 -8.428 1.00 13.43 H new ATOM 0 HB2 ASN A 16 -19.091 -8.715 -6.263 1.00 32.12 H new ATOM 0 HB3 ASN A 16 -20.218 -7.753 -7.199 1.00 32.12 H new ATOM 0 HD21 ASN A 16 -22.940 -9.910 -6.732 1.00 74.43 H new ATOM 0 HD22 ASN A 16 -22.316 -8.351 -7.282 1.00 74.43 H new ATOM 222 N GLU A 17 -19.344 -7.604 -10.238 1.00 63.25 N ATOM 223 CA GLU A 17 -20.002 -7.051 -11.417 1.00 24.35 C ATOM 224 C GLU A 17 -19.758 -7.932 -12.639 1.00 52.51 C ATOM 225 O GLU A 17 -20.683 -8.235 -13.394 1.00 32.33 O ATOM 226 CB GLU A 17 -19.500 -5.631 -11.689 1.00 32.52 C ATOM 227 CG GLU A 17 -19.324 -4.797 -10.431 1.00 42.35 C ATOM 228 CD GLU A 17 -20.601 -4.686 -9.621 1.00 44.20 C ATOM 229 OE1 GLU A 17 -20.952 -5.666 -8.932 1.00 32.30 O ATOM 230 OE2 GLU A 17 -21.248 -3.620 -9.676 1.00 10.52 O ATOM 0 H GLU A 17 -18.488 -7.120 -9.966 1.00 63.25 H new ATOM 0 HA GLU A 17 -21.074 -7.018 -11.222 1.00 24.35 H new ATOM 0 HB2 GLU A 17 -18.547 -5.686 -12.215 1.00 32.52 H new ATOM 0 HB3 GLU A 17 -20.202 -5.127 -12.354 1.00 32.52 H new ATOM 0 HG2 GLU A 17 -18.543 -5.240 -9.812 1.00 42.35 H new ATOM 0 HG3 GLU A 17 -18.985 -3.798 -10.706 1.00 42.35 H new ATOM 237 N LEU A 18 -18.508 -8.338 -12.829 1.00 3.53 N ATOM 238 CA LEU A 18 -18.141 -9.183 -13.960 1.00 2.23 C ATOM 239 C LEU A 18 -18.671 -10.601 -13.774 1.00 41.12 C ATOM 240 O LEU A 18 -18.813 -11.354 -14.738 1.00 42.41 O ATOM 241 CB LEU A 18 -16.621 -9.212 -14.128 1.00 23.23 C ATOM 242 CG LEU A 18 -15.814 -9.570 -12.879 1.00 32.50 C ATOM 243 CD1 LEU A 18 -15.098 -10.899 -13.069 1.00 11.42 C ATOM 244 CD2 LEU A 18 -14.818 -8.467 -12.553 1.00 30.32 C ATOM 0 H LEU A 18 -17.731 -8.096 -12.214 1.00 3.53 H new ATOM 0 HA LEU A 18 -18.591 -8.761 -14.859 1.00 2.23 H new ATOM 0 HB2 LEU A 18 -16.376 -9.928 -14.912 1.00 23.23 H new ATOM 0 HB3 LEU A 18 -16.295 -8.232 -14.478 1.00 23.23 H new ATOM 0 HG LEU A 18 -16.503 -9.669 -12.040 1.00 32.50 H new ATOM 0 HD11 LEU A 18 -14.529 -11.137 -12.170 1.00 11.42 H new ATOM 0 HD12 LEU A 18 -15.831 -11.684 -13.253 1.00 11.42 H new ATOM 0 HD13 LEU A 18 -14.420 -10.829 -13.920 1.00 11.42 H new ATOM 0 HD21 LEU A 18 -14.253 -8.739 -11.662 1.00 30.32 H new ATOM 0 HD22 LEU A 18 -14.133 -8.336 -13.391 1.00 30.32 H new ATOM 0 HD23 LEU A 18 -15.353 -7.535 -12.373 1.00 30.32 H new ATOM 256 N LYS A 19 -18.964 -10.959 -12.529 1.00 34.13 N ATOM 257 CA LYS A 19 -19.483 -12.285 -12.215 1.00 63.45 C ATOM 258 C LYS A 19 -20.975 -12.373 -12.520 1.00 43.45 C ATOM 259 O LYS A 19 -21.473 -13.421 -12.932 1.00 13.25 O ATOM 260 CB LYS A 19 -19.232 -12.619 -10.743 1.00 40.21 C ATOM 261 CG LYS A 19 -19.763 -13.980 -10.329 1.00 33.04 C ATOM 262 CD LYS A 19 -19.483 -14.265 -8.863 1.00 21.42 C ATOM 263 CE LYS A 19 -20.758 -14.229 -8.034 1.00 62.41 C ATOM 264 NZ LYS A 19 -20.494 -13.817 -6.628 1.00 24.54 N ATOM 0 H LYS A 19 -18.851 -10.349 -11.720 1.00 34.13 H new ATOM 0 HA LYS A 19 -18.960 -13.009 -12.840 1.00 63.45 H new ATOM 0 HB2 LYS A 19 -18.160 -12.582 -10.548 1.00 40.21 H new ATOM 0 HB3 LYS A 19 -19.695 -11.853 -10.121 1.00 40.21 H new ATOM 0 HG2 LYS A 19 -20.837 -14.023 -10.510 1.00 33.04 H new ATOM 0 HG3 LYS A 19 -19.304 -14.753 -10.945 1.00 33.04 H new ATOM 0 HD2 LYS A 19 -19.012 -15.243 -8.765 1.00 21.42 H new ATOM 0 HD3 LYS A 19 -18.776 -13.530 -8.477 1.00 21.42 H new ATOM 0 HE2 LYS A 19 -21.467 -13.537 -8.488 1.00 62.41 H new ATOM 0 HE3 LYS A 19 -21.224 -15.214 -8.042 1.00 62.41 H new ATOM 0 HZ1 LYS A 19 -21.202 -14.249 -6.001 1.00 24.54 H new ATOM 0 HZ2 LYS A 19 -19.544 -14.132 -6.347 1.00 24.54 H new ATOM 0 HZ3 LYS A 19 -20.552 -12.781 -6.553 1.00 24.54 H new ATOM 278 N ILE A 20 -21.681 -11.266 -12.318 1.00 40.50 N ATOM 279 CA ILE A 20 -23.115 -11.217 -12.574 1.00 71.42 C ATOM 280 C ILE A 20 -23.402 -10.958 -14.049 1.00 64.33 C ATOM 281 O ILE A 20 -24.390 -11.448 -14.595 1.00 55.14 O ATOM 282 CB ILE A 20 -23.801 -10.127 -11.730 1.00 74.03 C ATOM 283 CG1 ILE A 20 -25.308 -10.120 -11.994 1.00 74.15 C ATOM 284 CG2 ILE A 20 -23.198 -8.764 -12.035 1.00 15.22 C ATOM 285 CD1 ILE A 20 -26.133 -9.754 -10.780 1.00 71.23 C ATOM 0 H ILE A 20 -21.283 -10.391 -11.978 1.00 40.50 H new ATOM 0 HA ILE A 20 -23.519 -12.190 -12.293 1.00 71.42 H new ATOM 0 HB ILE A 20 -23.637 -10.348 -10.675 1.00 74.03 H new ATOM 0 HG12 ILE A 20 -25.525 -9.415 -12.796 1.00 74.15 H new ATOM 0 HG13 ILE A 20 -25.612 -11.106 -12.346 1.00 74.15 H new ATOM 0 HG21 ILE A 20 -23.693 -8.004 -11.431 1.00 15.22 H new ATOM 0 HG22 ILE A 20 -22.133 -8.777 -11.801 1.00 15.22 H new ATOM 0 HG23 ILE A 20 -23.335 -8.534 -13.092 1.00 15.22 H new ATOM 0 HD11 ILE A 20 -27.191 -9.769 -11.041 1.00 71.23 H new ATOM 0 HD12 ILE A 20 -25.946 -10.473 -9.983 1.00 71.23 H new ATOM 0 HD13 ILE A 20 -25.857 -8.756 -10.440 1.00 71.23 H new ATOM 297 N ARG A 21 -22.529 -10.187 -14.689 1.00 40.14 N ATOM 298 CA ARG A 21 -22.688 -9.863 -16.102 1.00 63.20 C ATOM 299 C ARG A 21 -22.078 -10.951 -16.981 1.00 20.30 C ATOM 300 O ARG A 21 -22.641 -11.320 -18.012 1.00 43.33 O ATOM 301 CB ARG A 21 -22.036 -8.515 -16.415 1.00 25.23 C ATOM 302 CG ARG A 21 -22.754 -7.331 -15.789 1.00 33.12 C ATOM 303 CD ARG A 21 -24.139 -7.139 -16.388 1.00 64.42 C ATOM 304 NE ARG A 21 -25.186 -7.176 -15.371 1.00 24.33 N ATOM 305 CZ ARG A 21 -26.471 -6.962 -15.630 1.00 45.23 C ATOM 306 NH1 ARG A 21 -26.865 -6.697 -16.868 1.00 70.21 N ATOM 307 NH2 ARG A 21 -27.364 -7.013 -14.651 1.00 10.54 N ATOM 0 H ARG A 21 -21.705 -9.775 -14.252 1.00 40.14 H new ATOM 0 HA ARG A 21 -23.755 -9.801 -16.317 1.00 63.20 H new ATOM 0 HB2 ARG A 21 -21.004 -8.530 -16.064 1.00 25.23 H new ATOM 0 HB3 ARG A 21 -22.003 -8.379 -17.496 1.00 25.23 H new ATOM 0 HG2 ARG A 21 -22.840 -7.483 -14.713 1.00 33.12 H new ATOM 0 HG3 ARG A 21 -22.164 -6.427 -15.937 1.00 33.12 H new ATOM 0 HD2 ARG A 21 -24.178 -6.185 -16.913 1.00 64.42 H new ATOM 0 HD3 ARG A 21 -24.325 -7.918 -17.128 1.00 64.42 H new ATOM 0 HE ARG A 21 -24.916 -7.377 -14.408 1.00 24.33 H new ATOM 0 HH11 ARG A 21 -26.181 -6.657 -17.623 1.00 70.21 H new ATOM 0 HH12 ARG A 21 -27.852 -6.533 -17.065 1.00 70.21 H new ATOM 0 HH21 ARG A 21 -27.064 -7.217 -13.698 1.00 10.54 H new ATOM 0 HH22 ARG A 21 -28.350 -6.848 -14.851 1.00 10.54 H new ATOM 321 N LYS A 22 -20.924 -11.462 -16.566 1.00 44.01 N ATOM 322 CA LYS A 22 -20.237 -12.508 -17.314 1.00 24.32 C ATOM 323 C LYS A 22 -19.962 -12.063 -18.747 1.00 13.45 C ATOM 324 O LYS A 22 -19.676 -12.883 -19.619 1.00 42.24 O ATOM 325 CB LYS A 22 -21.070 -13.792 -17.318 1.00 52.34 C ATOM 326 CG LYS A 22 -21.420 -14.295 -15.929 1.00 0.24 C ATOM 327 CD LYS A 22 -22.426 -15.432 -15.984 1.00 62.42 C ATOM 328 CE LYS A 22 -23.072 -15.672 -14.628 1.00 41.22 C ATOM 329 NZ LYS A 22 -22.107 -16.239 -13.646 1.00 44.31 N ATOM 0 H LYS A 22 -20.445 -11.168 -15.715 1.00 44.01 H new ATOM 0 HA LYS A 22 -19.283 -12.702 -16.824 1.00 24.32 H new ATOM 0 HB2 LYS A 22 -21.991 -13.616 -17.874 1.00 52.34 H new ATOM 0 HB3 LYS A 22 -20.521 -14.570 -17.849 1.00 52.34 H new ATOM 0 HG2 LYS A 22 -20.515 -14.633 -15.425 1.00 0.24 H new ATOM 0 HG3 LYS A 22 -21.828 -13.476 -15.337 1.00 0.24 H new ATOM 0 HD2 LYS A 22 -23.197 -15.202 -16.720 1.00 62.42 H new ATOM 0 HD3 LYS A 22 -21.929 -16.343 -16.318 1.00 62.42 H new ATOM 0 HE2 LYS A 22 -23.471 -14.733 -14.244 1.00 41.22 H new ATOM 0 HE3 LYS A 22 -23.915 -16.353 -14.743 1.00 41.22 H new ATOM 0 HZ1 LYS A 22 -22.616 -16.839 -12.966 1.00 44.31 H new ATOM 0 HZ2 LYS A 22 -21.397 -16.810 -14.147 1.00 44.31 H new ATOM 0 HZ3 LYS A 22 -21.633 -15.465 -13.138 1.00 44.31 H new ATOM 343 N THR A 23 -20.050 -10.757 -18.983 1.00 33.23 N ATOM 344 CA THR A 23 -19.811 -10.203 -20.309 1.00 53.41 C ATOM 345 C THR A 23 -18.629 -9.240 -20.298 1.00 31.41 C ATOM 346 O THR A 23 -17.625 -9.467 -20.973 1.00 23.23 O ATOM 347 CB THR A 23 -21.054 -9.465 -20.842 1.00 11.33 C ATOM 348 OG1 THR A 23 -22.221 -10.273 -20.655 1.00 33.10 O ATOM 349 CG2 THR A 23 -20.894 -9.130 -22.317 1.00 3.21 C ATOM 0 H THR A 23 -20.285 -10.064 -18.272 1.00 33.23 H new ATOM 0 HA THR A 23 -19.586 -11.043 -20.966 1.00 53.41 H new ATOM 0 HB THR A 23 -21.163 -8.535 -20.285 1.00 11.33 H new ATOM 0 HG1 THR A 23 -22.351 -10.443 -19.699 1.00 33.10 H new ATOM 0 HG21 THR A 23 -21.784 -8.609 -22.671 1.00 3.21 H new ATOM 0 HG22 THR A 23 -20.022 -8.490 -22.452 1.00 3.21 H new ATOM 0 HG23 THR A 23 -20.761 -10.050 -22.887 1.00 3.21 H new ATOM 357 N VAL A 24 -18.754 -8.165 -19.527 1.00 34.03 N ATOM 358 CA VAL A 24 -17.695 -7.169 -19.426 1.00 42.42 C ATOM 359 C VAL A 24 -18.211 -5.879 -18.797 1.00 25.54 C ATOM 360 O VAL A 24 -18.608 -4.948 -19.498 1.00 24.45 O ATOM 361 CB VAL A 24 -17.093 -6.848 -20.807 1.00 54.44 C ATOM 362 CG1 VAL A 24 -18.196 -6.603 -21.826 1.00 70.54 C ATOM 363 CG2 VAL A 24 -16.164 -5.647 -20.717 1.00 40.33 C ATOM 0 H VAL A 24 -19.579 -7.962 -18.963 1.00 34.03 H new ATOM 0 HA VAL A 24 -16.920 -7.595 -18.790 1.00 42.42 H new ATOM 0 HB VAL A 24 -16.509 -7.707 -21.138 1.00 54.44 H new ATOM 0 HG11 VAL A 24 -17.752 -6.378 -22.796 1.00 70.54 H new ATOM 0 HG12 VAL A 24 -18.818 -7.494 -21.910 1.00 70.54 H new ATOM 0 HG13 VAL A 24 -18.809 -5.761 -21.503 1.00 70.54 H new ATOM 0 HG21 VAL A 24 -15.748 -5.434 -21.702 1.00 40.33 H new ATOM 0 HG22 VAL A 24 -16.723 -4.780 -20.365 1.00 40.33 H new ATOM 0 HG23 VAL A 24 -15.355 -5.865 -20.020 1.00 40.33 H new ATOM 373 N LYS A 25 -18.202 -5.831 -17.469 1.00 24.32 N ATOM 374 CA LYS A 25 -18.667 -4.656 -16.742 1.00 44.22 C ATOM 375 C LYS A 25 -17.586 -3.580 -16.700 1.00 12.14 C ATOM 376 O LYS A 25 -17.856 -2.430 -16.354 1.00 12.31 O ATOM 377 CB LYS A 25 -19.076 -5.040 -15.318 1.00 45.43 C ATOM 378 CG LYS A 25 -19.745 -3.912 -14.553 1.00 14.41 C ATOM 379 CD LYS A 25 -21.245 -4.130 -14.437 1.00 3.12 C ATOM 380 CE LYS A 25 -21.865 -3.202 -13.404 1.00 3.51 C ATOM 381 NZ LYS A 25 -23.339 -3.082 -13.579 1.00 63.31 N ATOM 0 H LYS A 25 -17.877 -6.593 -16.874 1.00 24.32 H new ATOM 0 HA LYS A 25 -19.534 -4.255 -17.266 1.00 44.22 H new ATOM 0 HB2 LYS A 25 -19.755 -5.891 -15.361 1.00 45.43 H new ATOM 0 HB3 LYS A 25 -18.192 -5.365 -14.770 1.00 45.43 H new ATOM 0 HG2 LYS A 25 -19.309 -3.838 -13.557 1.00 14.41 H new ATOM 0 HG3 LYS A 25 -19.552 -2.965 -15.057 1.00 14.41 H new ATOM 0 HD2 LYS A 25 -21.714 -3.962 -15.406 1.00 3.12 H new ATOM 0 HD3 LYS A 25 -21.443 -5.166 -14.162 1.00 3.12 H new ATOM 0 HE2 LYS A 25 -21.647 -3.576 -12.403 1.00 3.51 H new ATOM 0 HE3 LYS A 25 -21.409 -2.215 -13.482 1.00 3.51 H new ATOM 0 HZ1 LYS A 25 -23.723 -2.441 -12.856 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 -23.547 -2.702 -14.524 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 -23.778 -4.020 -13.479 1.00 63.31 H new ATOM 395 N TRP A 26 -16.364 -3.961 -17.054 1.00 55.22 N ATOM 396 CA TRP A 26 -15.244 -3.027 -17.058 1.00 22.24 C ATOM 397 C TRP A 26 -15.211 -2.212 -15.770 1.00 2.23 C ATOM 398 O TRP A 26 -15.762 -1.113 -15.706 1.00 53.32 O ATOM 399 CB TRP A 26 -15.335 -2.093 -18.265 1.00 54.02 C ATOM 400 CG TRP A 26 -14.419 -0.910 -18.172 1.00 34.30 C ATOM 401 CD1 TRP A 26 -13.066 -0.905 -18.356 1.00 72.23 C ATOM 402 CD2 TRP A 26 -14.790 0.439 -17.870 1.00 12.13 C ATOM 403 NE1 TRP A 26 -12.573 0.366 -18.187 1.00 15.22 N ATOM 404 CE2 TRP A 26 -13.611 1.209 -17.889 1.00 0.44 C ATOM 405 CE3 TRP A 26 -16.004 1.072 -17.587 1.00 44.12 C ATOM 406 CZ2 TRP A 26 -13.612 2.578 -17.634 1.00 53.33 C ATOM 407 CZ3 TRP A 26 -16.003 2.431 -17.335 1.00 31.33 C ATOM 408 CH2 TRP A 26 -14.814 3.172 -17.360 1.00 53.03 C ATOM 0 H TRP A 26 -16.124 -4.910 -17.342 1.00 55.22 H new ATOM 0 HA TRP A 26 -14.322 -3.605 -17.124 1.00 22.24 H new ATOM 0 HB2 TRP A 26 -15.100 -2.655 -19.169 1.00 54.02 H new ATOM 0 HB3 TRP A 26 -16.362 -1.741 -18.366 1.00 54.02 H new ATOM 0 HD1 TRP A 26 -12.471 -1.773 -18.599 1.00 72.23 H new ATOM 0 HE1 TRP A 26 -11.593 0.638 -18.270 1.00 15.22 H new ATOM 0 HE3 TRP A 26 -16.926 0.509 -17.566 1.00 44.12 H new ATOM 0 HZ2 TRP A 26 -12.697 3.151 -17.652 1.00 53.33 H new ATOM 0 HZ3 TRP A 26 -16.935 2.930 -17.115 1.00 31.33 H new ATOM 0 HH2 TRP A 26 -14.847 4.233 -17.159 1.00 53.03 H new ATOM 419 N ILE A 27 -14.561 -2.756 -14.746 1.00 74.23 N ATOM 420 CA ILE A 27 -14.456 -2.077 -13.461 1.00 31.32 C ATOM 421 C ILE A 27 -13.006 -1.736 -13.137 1.00 2.44 C ATOM 422 O ILE A 27 -12.142 -2.612 -13.106 1.00 20.20 O ATOM 423 CB ILE A 27 -15.036 -2.936 -12.321 1.00 54.15 C ATOM 424 CG1 ILE A 27 -16.130 -3.862 -12.858 1.00 12.24 C ATOM 425 CG2 ILE A 27 -15.583 -2.047 -11.214 1.00 70.22 C ATOM 426 CD1 ILE A 27 -15.630 -5.244 -13.216 1.00 41.41 C ATOM 0 H ILE A 27 -14.099 -3.665 -14.782 1.00 74.23 H new ATOM 0 HA ILE A 27 -15.034 -1.157 -13.542 1.00 31.32 H new ATOM 0 HB ILE A 27 -14.237 -3.550 -11.905 1.00 54.15 H new ATOM 0 HG12 ILE A 27 -16.918 -3.952 -12.110 1.00 12.24 H new ATOM 0 HG13 ILE A 27 -16.579 -3.407 -13.741 1.00 12.24 H new ATOM 0 HG21 ILE A 27 -15.989 -2.668 -10.416 1.00 70.22 H new ATOM 0 HG22 ILE A 27 -14.781 -1.425 -10.817 1.00 70.22 H new ATOM 0 HG23 ILE A 27 -16.371 -1.410 -11.615 1.00 70.22 H new ATOM 0 HD11 ILE A 27 -16.459 -5.845 -13.589 1.00 41.41 H new ATOM 0 HD12 ILE A 27 -14.863 -5.165 -13.986 1.00 41.41 H new ATOM 0 HD13 ILE A 27 -15.207 -5.719 -12.331 1.00 41.41 H new ATOM 438 N VAL A 28 -12.745 -0.455 -12.893 1.00 54.03 N ATOM 439 CA VAL A 28 -11.400 0.003 -12.568 1.00 40.20 C ATOM 440 C VAL A 28 -11.253 0.258 -11.072 1.00 63.41 C ATOM 441 O VAL A 28 -11.914 1.132 -10.512 1.00 42.31 O ATOM 442 CB VAL A 28 -11.045 1.291 -13.334 1.00 52.50 C ATOM 443 CG1 VAL A 28 -9.576 1.638 -13.145 1.00 14.23 C ATOM 444 CG2 VAL A 28 -11.380 1.142 -14.810 1.00 54.44 C ATOM 0 H VAL A 28 -13.448 0.284 -12.914 1.00 54.03 H new ATOM 0 HA VAL A 28 -10.715 -0.790 -12.868 1.00 40.20 H new ATOM 0 HB VAL A 28 -11.641 2.109 -12.930 1.00 52.50 H new ATOM 0 HG11 VAL A 28 -9.344 2.551 -13.694 1.00 14.23 H new ATOM 0 HG12 VAL A 28 -9.371 1.790 -12.085 1.00 14.23 H new ATOM 0 HG13 VAL A 28 -8.958 0.822 -13.521 1.00 14.23 H new ATOM 0 HG21 VAL A 28 -11.123 2.061 -15.336 1.00 54.44 H new ATOM 0 HG22 VAL A 28 -10.812 0.312 -15.230 1.00 54.44 H new ATOM 0 HG23 VAL A 28 -12.446 0.945 -14.923 1.00 54.44 H new ATOM 454 N PHE A 29 -10.381 -0.512 -10.430 1.00 22.54 N ATOM 455 CA PHE A 29 -10.146 -0.371 -8.997 1.00 73.22 C ATOM 456 C PHE A 29 -8.796 0.286 -8.729 1.00 44.25 C ATOM 457 O PHE A 29 -7.784 -0.082 -9.326 1.00 45.43 O ATOM 458 CB PHE A 29 -10.206 -1.738 -8.312 1.00 3.00 C ATOM 459 CG PHE A 29 -9.321 -2.769 -8.953 1.00 53.10 C ATOM 460 CD1 PHE A 29 -9.748 -3.468 -10.071 1.00 5.11 C ATOM 461 CD2 PHE A 29 -8.064 -3.039 -8.438 1.00 44.42 C ATOM 462 CE1 PHE A 29 -8.936 -4.418 -10.662 1.00 41.41 C ATOM 463 CE2 PHE A 29 -7.247 -3.987 -9.025 1.00 53.04 C ATOM 464 CZ PHE A 29 -7.684 -4.677 -10.140 1.00 2.45 C ATOM 0 H PHE A 29 -9.825 -1.240 -10.879 1.00 22.54 H new ATOM 0 HA PHE A 29 -10.928 0.268 -8.587 1.00 73.22 H new ATOM 0 HB2 PHE A 29 -9.920 -1.624 -7.266 1.00 3.00 H new ATOM 0 HB3 PHE A 29 -11.235 -2.096 -8.324 1.00 3.00 H new ATOM 0 HD1 PHE A 29 -10.725 -3.268 -10.485 1.00 5.11 H new ATOM 0 HD2 PHE A 29 -7.718 -2.502 -7.567 1.00 44.42 H new ATOM 0 HE1 PHE A 29 -9.281 -4.958 -11.532 1.00 41.41 H new ATOM 0 HE2 PHE A 29 -6.269 -4.188 -8.613 1.00 53.04 H new ATOM 0 HZ PHE A 29 -7.048 -5.417 -10.602 1.00 2.45 H new ATOM 474 N LYS A 30 -8.788 1.262 -7.828 1.00 2.12 N ATOM 475 CA LYS A 30 -7.563 1.972 -7.479 1.00 11.14 C ATOM 476 C LYS A 30 -7.147 1.666 -6.043 1.00 60.25 C ATOM 477 O LYS A 30 -7.924 1.859 -5.108 1.00 4.33 O ATOM 478 CB LYS A 30 -7.756 3.480 -7.654 1.00 43.13 C ATOM 479 CG LYS A 30 -6.898 4.316 -6.720 1.00 30.32 C ATOM 480 CD LYS A 30 -7.684 4.777 -5.504 1.00 55.34 C ATOM 481 CE LYS A 30 -6.794 4.897 -4.277 1.00 32.41 C ATOM 482 NZ LYS A 30 -6.303 6.289 -4.081 1.00 63.44 N ATOM 0 H LYS A 30 -9.617 1.580 -7.326 1.00 2.12 H new ATOM 0 HA LYS A 30 -6.773 1.632 -8.148 1.00 11.14 H new ATOM 0 HB2 LYS A 30 -7.526 3.750 -8.685 1.00 43.13 H new ATOM 0 HB3 LYS A 30 -8.805 3.725 -7.487 1.00 43.13 H new ATOM 0 HG2 LYS A 30 -6.035 3.733 -6.397 1.00 30.32 H new ATOM 0 HG3 LYS A 30 -6.514 5.184 -7.256 1.00 30.32 H new ATOM 0 HD2 LYS A 30 -8.148 5.741 -5.714 1.00 55.34 H new ATOM 0 HD3 LYS A 30 -8.490 4.072 -5.302 1.00 55.34 H new ATOM 0 HE2 LYS A 30 -7.349 4.580 -3.394 1.00 32.41 H new ATOM 0 HE3 LYS A 30 -5.943 4.223 -4.378 1.00 32.41 H new ATOM 0 HZ1 LYS A 30 -5.337 6.265 -3.695 1.00 63.44 H new ATOM 0 HZ2 LYS A 30 -6.299 6.788 -4.994 1.00 63.44 H new ATOM 0 HZ3 LYS A 30 -6.929 6.788 -3.417 1.00 63.44 H new ATOM 496 N ILE A 31 -5.918 1.189 -5.878 1.00 20.14 N ATOM 497 CA ILE A 31 -5.399 0.859 -4.556 1.00 70.01 C ATOM 498 C ILE A 31 -4.811 2.089 -3.873 1.00 53.44 C ATOM 499 O ILE A 31 -3.995 2.803 -4.455 1.00 51.12 O ATOM 500 CB ILE A 31 -4.319 -0.237 -4.633 1.00 13.44 C ATOM 501 CG1 ILE A 31 -3.253 0.138 -5.664 1.00 54.52 C ATOM 502 CG2 ILE A 31 -4.949 -1.578 -4.978 1.00 13.25 C ATOM 503 CD1 ILE A 31 -2.035 -0.757 -5.627 1.00 60.11 C ATOM 0 H ILE A 31 -5.263 1.022 -6.642 1.00 20.14 H new ATOM 0 HA ILE A 31 -6.240 0.489 -3.970 1.00 70.01 H new ATOM 0 HB ILE A 31 -3.840 -0.323 -3.658 1.00 13.44 H new ATOM 0 HG12 ILE A 31 -3.693 0.098 -6.660 1.00 54.52 H new ATOM 0 HG13 ILE A 31 -2.942 1.169 -5.494 1.00 54.52 H new ATOM 0 HG21 ILE A 31 -4.173 -2.342 -5.029 1.00 13.25 H new ATOM 0 HG22 ILE A 31 -5.674 -1.848 -4.210 1.00 13.25 H new ATOM 0 HG23 ILE A 31 -5.452 -1.506 -5.943 1.00 13.25 H new ATOM 0 HD11 ILE A 31 -1.322 -0.432 -6.385 1.00 60.11 H new ATOM 0 HD12 ILE A 31 -1.570 -0.699 -4.643 1.00 60.11 H new ATOM 0 HD13 ILE A 31 -2.333 -1.786 -5.827 1.00 60.11 H new ATOM 515 N GLU A 32 -5.231 2.330 -2.635 1.00 72.31 N ATOM 516 CA GLU A 32 -4.745 3.474 -1.873 1.00 20.31 C ATOM 517 C GLU A 32 -3.632 3.057 -0.916 1.00 31.52 C ATOM 518 O GLU A 32 -3.120 1.941 -0.991 1.00 72.54 O ATOM 519 CB GLU A 32 -5.891 4.118 -1.090 1.00 72.50 C ATOM 520 CG GLU A 32 -5.854 5.637 -1.095 1.00 73.55 C ATOM 521 CD GLU A 32 -5.721 6.222 0.297 1.00 61.20 C ATOM 522 OE1 GLU A 32 -6.681 6.098 1.086 1.00 21.13 O ATOM 523 OE2 GLU A 32 -4.658 6.804 0.597 1.00 23.43 O ATOM 0 H GLU A 32 -5.906 1.749 -2.139 1.00 72.31 H new ATOM 0 HA GLU A 32 -4.342 4.202 -2.577 1.00 20.31 H new ATOM 0 HB2 GLU A 32 -6.840 3.785 -1.511 1.00 72.50 H new ATOM 0 HB3 GLU A 32 -5.858 3.766 -0.059 1.00 72.50 H new ATOM 0 HG2 GLU A 32 -5.018 5.974 -1.708 1.00 73.55 H new ATOM 0 HG3 GLU A 32 -6.764 6.017 -1.559 1.00 73.55 H new ATOM 530 N ASN A 33 -3.263 3.963 -0.016 1.00 61.51 N ATOM 531 CA ASN A 33 -2.210 3.690 0.956 1.00 70.25 C ATOM 532 C ASN A 33 -2.645 2.608 1.939 1.00 22.14 C ATOM 533 O ASN A 33 -3.234 2.900 2.981 1.00 61.42 O ATOM 534 CB ASN A 33 -1.844 4.967 1.714 1.00 41.21 C ATOM 535 CG ASN A 33 -1.276 6.038 0.802 1.00 11.15 C ATOM 536 OD1 ASN A 33 -1.881 6.393 -0.209 1.00 73.32 O ATOM 537 ND2 ASN A 33 -0.107 6.559 1.158 1.00 33.50 N ATOM 0 H ASN A 33 -3.677 4.892 0.060 1.00 61.51 H new ATOM 0 HA ASN A 33 -1.334 3.333 0.415 1.00 70.25 H new ATOM 0 HB2 ASN A 33 -2.730 5.354 2.217 1.00 41.21 H new ATOM 0 HB3 ASN A 33 -1.115 4.730 2.489 1.00 41.21 H new ATOM 0 HD21 ASN A 33 0.324 7.284 0.584 1.00 33.50 H new ATOM 0 HD22 ASN A 33 0.359 6.234 2.005 1.00 33.50 H new ATOM 544 N THR A 34 -2.350 1.356 1.603 1.00 44.03 N ATOM 545 CA THR A 34 -2.710 0.230 2.455 1.00 42.10 C ATOM 546 C THR A 34 -4.216 -0.005 2.448 1.00 1.01 C ATOM 547 O THR A 34 -4.831 -0.188 3.499 1.00 53.23 O ATOM 548 CB THR A 34 -2.243 0.452 3.906 1.00 1.00 C ATOM 549 OG1 THR A 34 -1.137 1.362 3.931 1.00 34.32 O ATOM 550 CG2 THR A 34 -1.838 -0.865 4.551 1.00 3.44 C ATOM 0 H THR A 34 -1.862 1.096 0.746 1.00 44.03 H new ATOM 0 HA THR A 34 -2.206 -0.647 2.049 1.00 42.10 H new ATOM 0 HB THR A 34 -3.073 0.875 4.471 1.00 1.00 H new ATOM 0 HG1 THR A 34 -0.847 1.499 4.857 1.00 34.32 H new ATOM 0 HG21 THR A 34 -1.512 -0.683 5.575 1.00 3.44 H new ATOM 0 HG22 THR A 34 -2.690 -1.545 4.557 1.00 3.44 H new ATOM 0 HG23 THR A 34 -1.021 -1.312 3.984 1.00 3.44 H new ATOM 558 N LYS A 35 -4.805 0.000 1.257 1.00 14.23 N ATOM 559 CA LYS A 35 -6.240 -0.215 1.112 1.00 13.44 C ATOM 560 C LYS A 35 -6.630 -0.311 -0.359 1.00 71.01 C ATOM 561 O LYS A 35 -5.886 0.125 -1.238 1.00 3.23 O ATOM 562 CB LYS A 35 -7.017 0.921 1.783 1.00 20.54 C ATOM 563 CG LYS A 35 -8.511 0.664 1.875 1.00 32.11 C ATOM 564 CD LYS A 35 -8.810 -0.638 2.600 1.00 0.53 C ATOM 565 CE LYS A 35 -8.224 -0.640 4.004 1.00 33.50 C ATOM 566 NZ LYS A 35 -8.590 -1.873 4.755 1.00 62.40 N ATOM 0 H LYS A 35 -4.310 0.151 0.378 1.00 14.23 H new ATOM 0 HA LYS A 35 -6.492 -1.157 1.599 1.00 13.44 H new ATOM 0 HB2 LYS A 35 -6.621 1.078 2.786 1.00 20.54 H new ATOM 0 HB3 LYS A 35 -6.849 1.843 1.227 1.00 20.54 H new ATOM 0 HG2 LYS A 35 -8.992 1.491 2.398 1.00 32.11 H new ATOM 0 HG3 LYS A 35 -8.937 0.629 0.872 1.00 32.11 H new ATOM 0 HD2 LYS A 35 -9.888 -0.786 2.654 1.00 0.53 H new ATOM 0 HD3 LYS A 35 -8.401 -1.474 2.033 1.00 0.53 H new ATOM 0 HE2 LYS A 35 -7.139 -0.559 3.945 1.00 33.50 H new ATOM 0 HE3 LYS A 35 -8.580 0.235 4.547 1.00 33.50 H new ATOM 0 HZ1 LYS A 35 -8.172 -1.837 5.707 1.00 62.40 H new ATOM 0 HZ2 LYS A 35 -9.625 -1.937 4.834 1.00 62.40 H new ATOM 0 HZ3 LYS A 35 -8.229 -2.707 4.250 1.00 62.40 H new ATOM 580 N ILE A 36 -7.801 -0.883 -0.620 1.00 65.21 N ATOM 581 CA ILE A 36 -8.289 -1.034 -1.985 1.00 52.31 C ATOM 582 C ILE A 36 -9.675 -0.418 -2.144 1.00 11.21 C ATOM 583 O ILE A 36 -10.499 -0.473 -1.231 1.00 12.11 O ATOM 584 CB ILE A 36 -8.347 -2.515 -2.402 1.00 73.12 C ATOM 585 CG1 ILE A 36 -6.936 -3.101 -2.482 1.00 0.31 C ATOM 586 CG2 ILE A 36 -9.064 -2.662 -3.736 1.00 62.11 C ATOM 587 CD1 ILE A 36 -6.875 -4.577 -2.156 1.00 41.42 C ATOM 0 H ILE A 36 -8.429 -1.249 0.096 1.00 65.21 H new ATOM 0 HA ILE A 36 -7.585 -0.511 -2.632 1.00 52.31 H new ATOM 0 HB ILE A 36 -8.907 -3.068 -1.648 1.00 73.12 H new ATOM 0 HG12 ILE A 36 -6.542 -2.942 -3.486 1.00 0.31 H new ATOM 0 HG13 ILE A 36 -6.287 -2.558 -1.795 1.00 0.31 H new ATOM 0 HG21 ILE A 36 -9.097 -3.715 -4.017 1.00 62.11 H new ATOM 0 HG22 ILE A 36 -10.080 -2.278 -3.647 1.00 62.11 H new ATOM 0 HG23 ILE A 36 -8.529 -2.099 -4.501 1.00 62.11 H new ATOM 0 HD11 ILE A 36 -5.845 -4.924 -2.233 1.00 41.42 H new ATOM 0 HD12 ILE A 36 -7.239 -4.741 -1.142 1.00 41.42 H new ATOM 0 HD13 ILE A 36 -7.498 -5.131 -2.859 1.00 41.42 H new ATOM 599 N VAL A 37 -9.926 0.168 -3.310 1.00 74.25 N ATOM 600 CA VAL A 37 -11.214 0.792 -3.591 1.00 61.10 C ATOM 601 C VAL A 37 -11.506 0.800 -5.087 1.00 74.22 C ATOM 602 O VAL A 37 -10.616 0.574 -5.906 1.00 65.42 O ATOM 603 CB VAL A 37 -11.264 2.237 -3.062 1.00 13.45 C ATOM 604 CG1 VAL A 37 -11.376 2.247 -1.545 1.00 24.04 C ATOM 605 CG2 VAL A 37 -10.040 3.015 -3.519 1.00 64.14 C ATOM 0 H VAL A 37 -9.254 0.224 -4.076 1.00 74.25 H new ATOM 0 HA VAL A 37 -11.972 0.199 -3.079 1.00 61.10 H new ATOM 0 HB VAL A 37 -12.149 2.724 -3.471 1.00 13.45 H new ATOM 0 HG11 VAL A 37 -11.410 3.277 -1.189 1.00 24.04 H new ATOM 0 HG12 VAL A 37 -12.287 1.729 -1.244 1.00 24.04 H new ATOM 0 HG13 VAL A 37 -10.512 1.742 -1.113 1.00 24.04 H new ATOM 0 HG21 VAL A 37 -10.093 4.034 -3.136 1.00 64.14 H new ATOM 0 HG22 VAL A 37 -9.139 2.531 -3.141 1.00 64.14 H new ATOM 0 HG23 VAL A 37 -10.009 3.038 -4.608 1.00 64.14 H new ATOM 615 N VAL A 38 -12.761 1.062 -5.438 1.00 14.51 N ATOM 616 CA VAL A 38 -13.172 1.102 -6.836 1.00 71.24 C ATOM 617 C VAL A 38 -13.316 2.538 -7.327 1.00 14.25 C ATOM 618 O VAL A 38 -13.765 3.414 -6.588 1.00 33.12 O ATOM 619 CB VAL A 38 -14.506 0.361 -7.051 1.00 4.53 C ATOM 620 CG1 VAL A 38 -15.541 0.820 -6.035 1.00 4.22 C ATOM 621 CG2 VAL A 38 -15.010 0.573 -8.470 1.00 63.13 C ATOM 0 H VAL A 38 -13.511 1.250 -4.773 1.00 14.51 H new ATOM 0 HA VAL A 38 -12.391 0.602 -7.409 1.00 71.24 H new ATOM 0 HB VAL A 38 -14.337 -0.706 -6.906 1.00 4.53 H new ATOM 0 HG11 VAL A 38 -16.477 0.286 -6.202 1.00 4.22 H new ATOM 0 HG12 VAL A 38 -15.179 0.612 -5.028 1.00 4.22 H new ATOM 0 HG13 VAL A 38 -15.710 1.891 -6.146 1.00 4.22 H new ATOM 0 HG21 VAL A 38 -15.953 0.043 -8.604 1.00 63.13 H new ATOM 0 HG22 VAL A 38 -15.164 1.638 -8.646 1.00 63.13 H new ATOM 0 HG23 VAL A 38 -14.275 0.191 -9.178 1.00 63.13 H new ATOM 631 N GLU A 39 -12.933 2.772 -8.578 1.00 1.13 N ATOM 632 CA GLU A 39 -13.020 4.103 -9.166 1.00 43.43 C ATOM 633 C GLU A 39 -14.106 4.155 -10.237 1.00 44.22 C ATOM 634 O GLU A 39 -14.974 5.028 -10.216 1.00 31.43 O ATOM 635 CB GLU A 39 -11.673 4.507 -9.770 1.00 41.02 C ATOM 636 CG GLU A 39 -10.680 5.032 -8.747 1.00 1.11 C ATOM 637 CD GLU A 39 -10.678 6.546 -8.660 1.00 23.03 C ATOM 638 OE1 GLU A 39 -10.576 7.202 -9.717 1.00 73.34 O ATOM 639 OE2 GLU A 39 -10.778 7.075 -7.533 1.00 22.34 O ATOM 0 H GLU A 39 -12.560 2.058 -9.203 1.00 1.13 H new ATOM 0 HA GLU A 39 -13.281 4.806 -8.374 1.00 43.43 H new ATOM 0 HB2 GLU A 39 -11.238 3.645 -10.277 1.00 41.02 H new ATOM 0 HB3 GLU A 39 -11.839 5.272 -10.528 1.00 41.02 H new ATOM 0 HG2 GLU A 39 -10.918 4.616 -7.768 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -9.680 4.685 -9.006 1.00 1.11 H new ATOM 646 N LYS A 40 -14.050 3.215 -11.174 1.00 24.50 N ATOM 647 CA LYS A 40 -15.027 3.150 -12.254 1.00 12.41 C ATOM 648 C LYS A 40 -15.836 1.859 -12.179 1.00 53.44 C ATOM 649 O LYS A 40 -15.381 0.862 -11.620 1.00 21.21 O ATOM 650 CB LYS A 40 -14.326 3.248 -13.611 1.00 31.13 C ATOM 651 CG LYS A 40 -13.946 4.666 -13.998 1.00 52.45 C ATOM 652 CD LYS A 40 -12.466 4.778 -14.325 1.00 34.00 C ATOM 653 CE LYS A 40 -11.610 4.678 -13.072 1.00 31.11 C ATOM 654 NZ LYS A 40 -10.961 5.976 -12.739 1.00 23.12 N ATOM 0 H LYS A 40 -13.337 2.486 -11.207 1.00 24.50 H new ATOM 0 HA LYS A 40 -15.710 3.992 -12.144 1.00 12.41 H new ATOM 0 HB2 LYS A 40 -13.427 2.632 -13.591 1.00 31.13 H new ATOM 0 HB3 LYS A 40 -14.979 2.833 -14.379 1.00 31.13 H new ATOM 0 HG2 LYS A 40 -14.535 4.979 -14.860 1.00 52.45 H new ATOM 0 HG3 LYS A 40 -14.191 5.345 -13.181 1.00 52.45 H new ATOM 0 HD2 LYS A 40 -12.186 3.989 -15.023 1.00 34.00 H new ATOM 0 HD3 LYS A 40 -12.273 5.728 -14.824 1.00 34.00 H new ATOM 0 HE2 LYS A 40 -12.229 4.356 -12.234 1.00 31.11 H new ATOM 0 HE3 LYS A 40 -10.845 3.915 -13.215 1.00 31.11 H new ATOM 0 HZ1 LYS A 40 -10.321 5.846 -11.930 1.00 23.12 H new ATOM 0 HZ2 LYS A 40 -10.418 6.313 -13.560 1.00 23.12 H new ATOM 0 HZ3 LYS A 40 -11.690 6.676 -12.495 1.00 23.12 H new ATOM 668 N ASP A 41 -17.037 1.885 -12.748 1.00 4.42 N ATOM 669 CA ASP A 41 -17.908 0.716 -12.748 1.00 40.00 C ATOM 670 C ASP A 41 -19.214 1.012 -13.479 1.00 61.51 C ATOM 671 O ASP A 41 -19.825 2.060 -13.280 1.00 12.35 O ATOM 672 CB ASP A 41 -18.201 0.272 -11.314 1.00 60.42 C ATOM 673 CG ASP A 41 -19.474 0.886 -10.766 1.00 41.32 C ATOM 674 OD1 ASP A 41 -19.444 2.078 -10.394 1.00 74.22 O ATOM 675 OD2 ASP A 41 -20.499 0.176 -10.709 1.00 34.55 O ATOM 0 H ASP A 41 -17.429 2.703 -13.215 1.00 4.42 H new ATOM 0 HA ASP A 41 -17.394 -0.090 -13.272 1.00 40.00 H new ATOM 0 HB2 ASP A 41 -18.283 -0.814 -11.283 1.00 60.42 H new ATOM 0 HB3 ASP A 41 -17.363 0.547 -10.673 1.00 60.42 H new ATOM 680 N GLY A 42 -19.635 0.079 -14.328 1.00 73.01 N ATOM 681 CA GLY A 42 -20.865 0.259 -15.077 1.00 73.10 C ATOM 682 C GLY A 42 -20.666 0.083 -16.569 1.00 53.14 C ATOM 683 O GLY A 42 -21.224 0.834 -17.371 1.00 23.43 O ATOM 0 H GLY A 42 -19.146 -0.798 -14.510 1.00 73.01 H new ATOM 0 HA2 GLY A 42 -21.609 -0.456 -14.726 1.00 73.10 H new ATOM 0 HA3 GLY A 42 -21.263 1.255 -14.882 1.00 73.10 H new ATOM 687 N LYS A 43 -19.868 -0.910 -16.945 1.00 60.22 N ATOM 688 CA LYS A 43 -19.595 -1.183 -18.351 1.00 74.24 C ATOM 689 C LYS A 43 -18.873 -0.009 -19.003 1.00 42.35 C ATOM 690 O LYS A 43 -18.928 1.117 -18.511 1.00 52.42 O ATOM 691 CB LYS A 43 -20.900 -1.472 -19.098 1.00 44.33 C ATOM 692 CG LYS A 43 -20.974 -2.876 -19.672 1.00 40.02 C ATOM 693 CD LYS A 43 -22.373 -3.455 -19.550 1.00 15.11 C ATOM 694 CE LYS A 43 -22.538 -4.247 -18.262 1.00 14.11 C ATOM 695 NZ LYS A 43 -21.891 -5.585 -18.347 1.00 72.40 N ATOM 0 H LYS A 43 -19.398 -1.540 -16.295 1.00 60.22 H new ATOM 0 HA LYS A 43 -18.949 -2.060 -18.407 1.00 74.24 H new ATOM 0 HB2 LYS A 43 -21.739 -1.322 -18.418 1.00 44.33 H new ATOM 0 HB3 LYS A 43 -21.013 -0.751 -19.908 1.00 44.33 H new ATOM 0 HG2 LYS A 43 -20.677 -2.857 -20.721 1.00 40.02 H new ATOM 0 HG3 LYS A 43 -20.266 -3.521 -19.152 1.00 40.02 H new ATOM 0 HD2 LYS A 43 -23.106 -2.648 -19.579 1.00 15.11 H new ATOM 0 HD3 LYS A 43 -22.576 -4.101 -20.404 1.00 15.11 H new ATOM 0 HE2 LYS A 43 -22.106 -3.687 -17.433 1.00 14.11 H new ATOM 0 HE3 LYS A 43 -23.599 -4.370 -18.045 1.00 14.11 H new ATOM 0 HZ1 LYS A 43 -22.622 -6.325 -18.341 1.00 72.40 H new ATOM 0 HZ2 LYS A 43 -21.341 -5.649 -19.227 1.00 72.40 H new ATOM 0 HZ3 LYS A 43 -21.258 -5.717 -17.533 1.00 72.40 H new ATOM 709 N GLY A 44 -18.196 -0.280 -20.116 1.00 10.55 N ATOM 710 CA GLY A 44 -17.474 0.765 -20.817 1.00 43.43 C ATOM 711 C GLY A 44 -16.591 0.219 -21.921 1.00 64.43 C ATOM 712 O GLY A 44 -16.477 0.819 -22.989 1.00 11.10 O ATOM 0 H GLY A 44 -18.135 -1.204 -20.544 1.00 10.55 H new ATOM 0 HA2 GLY A 44 -18.186 1.472 -21.242 1.00 43.43 H new ATOM 0 HA3 GLY A 44 -16.861 1.319 -20.106 1.00 43.43 H new ATOM 716 N ASN A 45 -15.962 -0.924 -21.663 1.00 50.32 N ATOM 717 CA ASN A 45 -15.082 -1.550 -22.643 1.00 73.32 C ATOM 718 C ASN A 45 -13.847 -0.690 -22.894 1.00 32.52 C ATOM 719 O ASN A 45 -13.608 0.290 -22.190 1.00 51.42 O ATOM 720 CB ASN A 45 -15.831 -1.782 -23.957 1.00 72.21 C ATOM 721 CG ASN A 45 -15.599 -3.172 -24.518 1.00 23.04 C ATOM 722 OD1 ASN A 45 -14.547 -3.774 -24.299 1.00 50.41 O ATOM 723 ND2 ASN A 45 -16.582 -3.689 -25.245 1.00 52.41 N ATOM 0 H ASN A 45 -16.046 -1.435 -20.784 1.00 50.32 H new ATOM 0 HA ASN A 45 -14.758 -2.511 -22.242 1.00 73.32 H new ATOM 0 HB2 ASN A 45 -16.898 -1.632 -23.795 1.00 72.21 H new ATOM 0 HB3 ASN A 45 -15.513 -1.040 -24.689 1.00 72.21 H new ATOM 0 HD21 ASN A 45 -16.483 -4.621 -25.648 1.00 52.41 H new ATOM 0 HD22 ASN A 45 -17.437 -3.154 -25.401 1.00 52.41 H new ATOM 730 N ALA A 46 -13.066 -1.066 -23.902 1.00 14.43 N ATOM 731 CA ALA A 46 -11.858 -0.328 -24.247 1.00 43.22 C ATOM 732 C ALA A 46 -12.163 1.148 -24.482 1.00 74.52 C ATOM 733 O ALA A 46 -11.364 2.019 -24.140 1.00 40.11 O ATOM 734 CB ALA A 46 -11.202 -0.936 -25.478 1.00 52.44 C ATOM 0 H ALA A 46 -13.249 -1.877 -24.493 1.00 14.43 H new ATOM 0 HA ALA A 46 -11.167 -0.399 -23.407 1.00 43.22 H new ATOM 0 HB1 ALA A 46 -10.301 -0.375 -25.725 1.00 52.44 H new ATOM 0 HB2 ALA A 46 -10.939 -1.974 -25.275 1.00 52.44 H new ATOM 0 HB3 ALA A 46 -11.896 -0.895 -26.318 1.00 52.44 H new ATOM 740 N ASP A 47 -13.324 1.420 -25.068 1.00 41.33 N ATOM 741 CA ASP A 47 -13.735 2.791 -25.349 1.00 34.12 C ATOM 742 C ASP A 47 -13.618 3.660 -24.100 1.00 73.34 C ATOM 743 O ASP A 47 -13.090 4.770 -24.153 1.00 63.41 O ATOM 744 CB ASP A 47 -15.173 2.818 -25.871 1.00 64.21 C ATOM 745 CG ASP A 47 -15.379 1.884 -27.048 1.00 3.24 C ATOM 746 OD1 ASP A 47 -14.373 1.487 -27.672 1.00 73.23 O ATOM 747 OD2 ASP A 47 -16.545 1.551 -27.344 1.00 55.53 O ATOM 0 H ASP A 47 -13.997 0.710 -25.357 1.00 41.33 H new ATOM 0 HA ASP A 47 -13.071 3.194 -26.114 1.00 34.12 H new ATOM 0 HB2 ASP A 47 -15.854 2.540 -25.067 1.00 64.21 H new ATOM 0 HB3 ASP A 47 -15.430 3.835 -26.168 1.00 64.21 H new ATOM 752 N GLU A 48 -14.116 3.147 -22.980 1.00 32.34 N ATOM 753 CA GLU A 48 -14.069 3.878 -21.719 1.00 24.53 C ATOM 754 C GLU A 48 -12.726 3.674 -21.022 1.00 34.41 C ATOM 755 O GLU A 48 -12.168 4.604 -20.440 1.00 53.44 O ATOM 756 CB GLU A 48 -15.206 3.428 -20.800 1.00 32.44 C ATOM 757 CG GLU A 48 -16.588 3.790 -21.319 1.00 5.24 C ATOM 758 CD GLU A 48 -16.742 5.276 -21.578 1.00 44.24 C ATOM 759 OE1 GLU A 48 -16.576 6.066 -20.626 1.00 31.04 O ATOM 760 OE2 GLU A 48 -17.028 5.649 -22.736 1.00 24.14 O ATOM 0 H GLU A 48 -14.556 2.229 -22.920 1.00 32.34 H new ATOM 0 HA GLU A 48 -14.188 4.939 -21.939 1.00 24.53 H new ATOM 0 HB2 GLU A 48 -15.149 2.348 -20.667 1.00 32.44 H new ATOM 0 HB3 GLU A 48 -15.067 3.878 -19.817 1.00 32.44 H new ATOM 0 HG2 GLU A 48 -16.781 3.242 -22.241 1.00 5.24 H new ATOM 0 HG3 GLU A 48 -17.339 3.471 -20.596 1.00 5.24 H new ATOM 767 N PHE A 49 -12.214 2.449 -21.085 1.00 2.13 N ATOM 768 CA PHE A 49 -10.938 2.121 -20.459 1.00 11.30 C ATOM 769 C PHE A 49 -9.819 2.998 -21.014 1.00 31.13 C ATOM 770 O PHE A 49 -8.845 3.291 -20.321 1.00 4.41 O ATOM 771 CB PHE A 49 -10.602 0.645 -20.680 1.00 1.10 C ATOM 772 CG PHE A 49 -9.294 0.230 -20.069 1.00 40.21 C ATOM 773 CD1 PHE A 49 -8.097 0.496 -20.715 1.00 13.30 C ATOM 774 CD2 PHE A 49 -9.261 -0.425 -18.849 1.00 30.31 C ATOM 775 CE1 PHE A 49 -6.893 0.115 -20.155 1.00 65.24 C ATOM 776 CE2 PHE A 49 -8.059 -0.809 -18.284 1.00 51.12 C ATOM 777 CZ PHE A 49 -6.873 -0.537 -18.938 1.00 33.41 C ATOM 0 H PHE A 49 -12.663 1.668 -21.563 1.00 2.13 H new ATOM 0 HA PHE A 49 -11.027 2.310 -19.389 1.00 11.30 H new ATOM 0 HB2 PHE A 49 -11.400 0.032 -20.261 1.00 1.10 H new ATOM 0 HB3 PHE A 49 -10.574 0.443 -21.751 1.00 1.10 H new ATOM 0 HD1 PHE A 49 -8.106 1.007 -21.667 1.00 13.30 H new ATOM 0 HD2 PHE A 49 -10.185 -0.638 -18.333 1.00 30.31 H new ATOM 0 HE1 PHE A 49 -5.967 0.327 -20.669 1.00 65.24 H new ATOM 0 HE2 PHE A 49 -8.047 -1.321 -17.333 1.00 51.12 H new ATOM 0 HZ PHE A 49 -5.932 -0.834 -18.498 1.00 33.41 H new ATOM 787 N ARG A 50 -9.967 3.412 -22.268 1.00 4.11 N ATOM 788 CA ARG A 50 -8.968 4.253 -22.917 1.00 54.31 C ATOM 789 C ARG A 50 -9.242 5.730 -22.645 1.00 61.34 C ATOM 790 O ARG A 50 -8.361 6.574 -22.804 1.00 14.21 O ATOM 791 CB ARG A 50 -8.955 3.995 -24.425 1.00 15.11 C ATOM 792 CG ARG A 50 -10.157 4.577 -25.153 1.00 25.43 C ATOM 793 CD ARG A 50 -9.741 5.661 -26.135 1.00 35.22 C ATOM 794 NE ARG A 50 -9.533 6.947 -25.475 1.00 31.34 N ATOM 795 CZ ARG A 50 -8.832 7.941 -26.008 1.00 15.53 C ATOM 796 NH1 ARG A 50 -8.276 7.799 -27.203 1.00 13.02 N ATOM 797 NH2 ARG A 50 -8.688 9.082 -25.345 1.00 65.01 N ATOM 0 H ARG A 50 -10.768 3.179 -22.855 1.00 4.11 H new ATOM 0 HA ARG A 50 -7.992 4.000 -22.504 1.00 54.31 H new ATOM 0 HB2 ARG A 50 -8.044 4.417 -24.850 1.00 15.11 H new ATOM 0 HB3 ARG A 50 -8.920 2.920 -24.601 1.00 15.11 H new ATOM 0 HG2 ARG A 50 -10.681 3.783 -25.686 1.00 25.43 H new ATOM 0 HG3 ARG A 50 -10.858 4.991 -24.428 1.00 25.43 H new ATOM 0 HD2 ARG A 50 -8.823 5.360 -26.640 1.00 35.22 H new ATOM 0 HD3 ARG A 50 -10.507 5.768 -26.903 1.00 35.22 H new ATOM 0 HE ARG A 50 -9.949 7.089 -24.555 1.00 31.34 H new ATOM 0 HH11 ARG A 50 -8.386 6.924 -27.716 1.00 13.02 H new ATOM 0 HH12 ARG A 50 -7.738 8.564 -27.609 1.00 13.02 H new ATOM 0 HH21 ARG A 50 -9.116 9.195 -24.426 1.00 65.01 H new ATOM 0 HH22 ARG A 50 -8.150 9.845 -25.755 1.00 65.01 H new ATOM 811 N GLY A 51 -10.470 6.033 -22.235 1.00 41.34 N ATOM 812 CA GLY A 51 -10.838 7.408 -21.949 1.00 23.40 C ATOM 813 C GLY A 51 -11.177 7.625 -20.488 1.00 23.44 C ATOM 814 O GLY A 51 -11.780 8.635 -20.127 1.00 31.42 O ATOM 0 H GLY A 51 -11.216 5.352 -22.096 1.00 41.34 H new ATOM 0 HA2 GLY A 51 -10.016 8.067 -22.230 1.00 23.40 H new ATOM 0 HA3 GLY A 51 -11.694 7.687 -22.563 1.00 23.40 H new ATOM 818 N ALA A 52 -10.789 6.673 -19.644 1.00 53.23 N ATOM 819 CA ALA A 52 -11.055 6.765 -18.214 1.00 55.32 C ATOM 820 C ALA A 52 -9.760 6.719 -17.411 1.00 13.24 C ATOM 821 O ALA A 52 -9.652 7.339 -16.351 1.00 73.44 O ATOM 822 CB ALA A 52 -11.990 5.646 -17.778 1.00 44.21 C ATOM 0 H ALA A 52 -10.290 5.830 -19.927 1.00 53.23 H new ATOM 0 HA ALA A 52 -11.538 7.723 -18.020 1.00 55.32 H new ATOM 0 HB1 ALA A 52 -12.180 5.727 -16.708 1.00 44.21 H new ATOM 0 HB2 ALA A 52 -12.932 5.726 -18.321 1.00 44.21 H new ATOM 0 HB3 ALA A 52 -11.529 4.682 -17.993 1.00 44.21 H new ATOM 828 N LEU A 53 -8.780 5.981 -17.920 1.00 1.44 N ATOM 829 CA LEU A 53 -7.491 5.854 -17.248 1.00 61.25 C ATOM 830 C LEU A 53 -6.928 7.224 -16.885 1.00 51.11 C ATOM 831 O LEU A 53 -7.155 8.218 -17.575 1.00 0.42 O ATOM 832 CB LEU A 53 -6.501 5.104 -18.141 1.00 61.33 C ATOM 833 CG LEU A 53 -6.127 3.691 -17.690 1.00 53.14 C ATOM 834 CD1 LEU A 53 -7.374 2.833 -17.535 1.00 5.53 C ATOM 835 CD2 LEU A 53 -5.160 3.055 -18.677 1.00 65.33 C ATOM 0 H LEU A 53 -8.853 5.462 -18.795 1.00 1.44 H new ATOM 0 HA LEU A 53 -7.643 5.289 -16.328 1.00 61.25 H new ATOM 0 HB2 LEU A 53 -6.921 5.044 -19.145 1.00 61.33 H new ATOM 0 HB3 LEU A 53 -5.588 5.695 -18.213 1.00 61.33 H new ATOM 0 HG LEU A 53 -5.634 3.758 -16.720 1.00 53.14 H new ATOM 0 HD11 LEU A 53 -7.089 1.831 -17.214 1.00 5.53 H new ATOM 0 HD12 LEU A 53 -8.032 3.279 -16.790 1.00 5.53 H new ATOM 0 HD13 LEU A 53 -7.895 2.773 -18.490 1.00 5.53 H new ATOM 0 HD21 LEU A 53 -4.905 2.050 -18.340 1.00 65.33 H new ATOM 0 HD22 LEU A 53 -5.627 3.000 -19.660 1.00 65.33 H new ATOM 0 HD23 LEU A 53 -4.254 3.658 -18.739 1.00 65.33 H new ATOM 847 N PRO A 54 -6.174 7.280 -15.777 1.00 73.30 N ATOM 848 CA PRO A 54 -5.561 8.522 -15.298 1.00 41.14 C ATOM 849 C PRO A 54 -4.434 9.000 -16.207 1.00 64.34 C ATOM 850 O PRO A 54 -3.764 8.196 -16.856 1.00 55.45 O ATOM 851 CB PRO A 54 -5.012 8.139 -13.922 1.00 1.22 C ATOM 852 CG PRO A 54 -4.789 6.668 -13.998 1.00 53.15 C ATOM 853 CD PRO A 54 -5.862 6.134 -14.906 1.00 72.24 C ATOM 0 HA PRO A 54 -6.275 9.346 -15.273 1.00 41.14 H new ATOM 0 HB2 PRO A 54 -4.085 8.669 -13.704 1.00 1.22 H new ATOM 0 HB3 PRO A 54 -5.717 8.392 -13.130 1.00 1.22 H new ATOM 0 HG2 PRO A 54 -3.797 6.443 -14.391 1.00 53.15 H new ATOM 0 HG3 PRO A 54 -4.851 6.212 -13.010 1.00 53.15 H new ATOM 0 HD2 PRO A 54 -5.512 5.276 -15.480 1.00 72.24 H new ATOM 0 HD3 PRO A 54 -6.737 5.806 -14.345 1.00 72.24 H new ATOM 861 N ALA A 55 -4.229 10.312 -16.249 1.00 3.24 N ATOM 862 CA ALA A 55 -3.181 10.896 -17.076 1.00 44.12 C ATOM 863 C ALA A 55 -1.832 10.853 -16.366 1.00 11.24 C ATOM 864 O ALA A 55 -0.806 10.559 -16.978 1.00 35.22 O ATOM 865 CB ALA A 55 -3.538 12.327 -17.448 1.00 41.54 C ATOM 0 H ALA A 55 -4.776 10.991 -15.719 1.00 3.24 H new ATOM 0 HA ALA A 55 -3.101 10.304 -17.988 1.00 44.12 H new ATOM 0 HB1 ALA A 55 -2.746 12.751 -18.066 1.00 41.54 H new ATOM 0 HB2 ALA A 55 -4.476 12.335 -18.004 1.00 41.54 H new ATOM 0 HB3 ALA A 55 -3.648 12.922 -16.541 1.00 41.54 H new ATOM 871 N ASN A 56 -1.841 11.149 -15.070 1.00 15.51 N ATOM 872 CA ASN A 56 -0.618 11.146 -14.276 1.00 60.22 C ATOM 873 C ASN A 56 -0.722 10.154 -13.122 1.00 25.23 C ATOM 874 O ASN A 56 -0.253 10.422 -12.015 1.00 41.13 O ATOM 875 CB ASN A 56 -0.333 12.548 -13.735 1.00 24.05 C ATOM 876 CG ASN A 56 0.233 13.473 -14.795 1.00 15.43 C ATOM 877 OD1 ASN A 56 0.390 13.086 -15.953 1.00 23.15 O ATOM 878 ND2 ASN A 56 0.541 14.704 -14.402 1.00 55.13 N ATOM 0 H ASN A 56 -2.682 11.394 -14.548 1.00 15.51 H new ATOM 0 HA ASN A 56 0.205 10.840 -14.922 1.00 60.22 H new ATOM 0 HB2 ASN A 56 -1.254 12.975 -13.338 1.00 24.05 H new ATOM 0 HB3 ASN A 56 0.370 12.478 -12.905 1.00 24.05 H new ATOM 0 HD21 ASN A 56 0.925 15.372 -15.071 1.00 55.13 H new ATOM 0 HD22 ASN A 56 0.394 14.981 -13.431 1.00 55.13 H new ATOM 885 N ASP A 57 -1.338 9.007 -13.388 1.00 4.44 N ATOM 886 CA ASP A 57 -1.502 7.974 -12.372 1.00 25.11 C ATOM 887 C ASP A 57 -1.680 6.603 -13.016 1.00 21.52 C ATOM 888 O ASP A 57 -1.587 6.462 -14.236 1.00 22.11 O ATOM 889 CB ASP A 57 -2.702 8.292 -11.479 1.00 60.02 C ATOM 890 CG ASP A 57 -2.319 8.419 -10.018 1.00 32.23 C ATOM 891 OD1 ASP A 57 -1.912 7.400 -9.420 1.00 51.41 O ATOM 892 OD2 ASP A 57 -2.426 9.537 -9.472 1.00 20.42 O ATOM 0 H ASP A 57 -1.732 8.769 -14.298 1.00 4.44 H new ATOM 0 HA ASP A 57 -0.600 7.954 -11.760 1.00 25.11 H new ATOM 0 HB2 ASP A 57 -3.163 9.221 -11.813 1.00 60.02 H new ATOM 0 HB3 ASP A 57 -3.451 7.507 -11.588 1.00 60.02 H new ATOM 897 N CYS A 58 -1.935 5.595 -12.189 1.00 15.13 N ATOM 898 CA CYS A 58 -2.125 4.234 -12.677 1.00 70.13 C ATOM 899 C CYS A 58 -3.435 3.648 -12.161 1.00 13.41 C ATOM 900 O CYS A 58 -3.964 4.089 -11.140 1.00 23.31 O ATOM 901 CB CYS A 58 -0.953 3.349 -12.250 1.00 34.30 C ATOM 902 SG CYS A 58 -1.231 2.452 -10.705 1.00 2.15 S ATOM 0 H CYS A 58 -2.015 5.695 -11.177 1.00 15.13 H new ATOM 0 HA CYS A 58 -2.168 4.268 -13.766 1.00 70.13 H new ATOM 0 HB2 CYS A 58 -0.747 2.630 -13.043 1.00 34.30 H new ATOM 0 HB3 CYS A 58 -0.063 3.969 -12.143 1.00 34.30 H new ATOM 0 HG CYS A 58 -0.286 1.575 -10.536 1.00 2.15 H new ATOM 908 N ARG A 59 -3.955 2.655 -12.874 1.00 71.31 N ATOM 909 CA ARG A 59 -5.205 2.011 -12.490 1.00 33.14 C ATOM 910 C ARG A 59 -5.363 0.666 -13.193 1.00 51.00 C ATOM 911 O ARG A 59 -4.911 0.489 -14.324 1.00 72.45 O ATOM 912 CB ARG A 59 -6.393 2.915 -12.823 1.00 51.41 C ATOM 913 CG ARG A 59 -7.038 3.549 -11.601 1.00 74.52 C ATOM 914 CD ARG A 59 -7.505 4.967 -11.890 1.00 33.32 C ATOM 915 NE ARG A 59 -7.834 5.694 -10.667 1.00 12.12 N ATOM 916 CZ ARG A 59 -6.930 6.306 -9.910 1.00 31.32 C ATOM 917 NH1 ARG A 59 -5.649 6.278 -10.249 1.00 24.12 N ATOM 918 NH2 ARG A 59 -7.307 6.947 -8.811 1.00 53.33 N ATOM 0 H ARG A 59 -3.530 2.279 -13.721 1.00 71.31 H new ATOM 0 HA ARG A 59 -5.179 1.838 -11.414 1.00 33.14 H new ATOM 0 HB2 ARG A 59 -6.060 3.704 -13.498 1.00 51.41 H new ATOM 0 HB3 ARG A 59 -7.143 2.333 -13.358 1.00 51.41 H new ATOM 0 HG2 ARG A 59 -7.886 2.944 -11.281 1.00 74.52 H new ATOM 0 HG3 ARG A 59 -6.325 3.561 -10.777 1.00 74.52 H new ATOM 0 HD2 ARG A 59 -6.725 5.502 -12.431 1.00 33.32 H new ATOM 0 HD3 ARG A 59 -8.380 4.935 -12.540 1.00 33.32 H new ATOM 0 HE ARG A 59 -8.811 5.734 -10.378 1.00 12.12 H new ATOM 0 HH11 ARG A 59 -5.355 5.786 -11.093 1.00 24.12 H new ATOM 0 HH12 ARG A 59 -4.957 6.749 -9.666 1.00 24.12 H new ATOM 0 HH21 ARG A 59 -8.292 6.970 -8.547 1.00 53.33 H new ATOM 0 HH22 ARG A 59 -6.612 7.416 -8.231 1.00 53.33 H new ATOM 932 N PHE A 60 -6.007 -0.279 -12.515 1.00 44.41 N ATOM 933 CA PHE A 60 -6.223 -1.608 -13.074 1.00 62.00 C ATOM 934 C PHE A 60 -7.713 -1.911 -13.196 1.00 33.14 C ATOM 935 O PHE A 60 -8.528 -1.393 -12.433 1.00 43.30 O ATOM 936 CB PHE A 60 -5.545 -2.667 -12.202 1.00 61.35 C ATOM 937 CG PHE A 60 -4.674 -2.089 -11.124 1.00 43.45 C ATOM 938 CD1 PHE A 60 -5.225 -1.645 -9.933 1.00 53.24 C ATOM 939 CD2 PHE A 60 -3.303 -1.989 -11.302 1.00 32.12 C ATOM 940 CE1 PHE A 60 -4.426 -1.111 -8.940 1.00 61.22 C ATOM 941 CE2 PHE A 60 -2.499 -1.457 -10.312 1.00 4.31 C ATOM 942 CZ PHE A 60 -3.061 -1.018 -9.129 1.00 62.22 C ATOM 0 H PHE A 60 -6.388 -0.149 -11.578 1.00 44.41 H new ATOM 0 HA PHE A 60 -5.783 -1.632 -14.071 1.00 62.00 H new ATOM 0 HB2 PHE A 60 -6.311 -3.292 -11.743 1.00 61.35 H new ATOM 0 HB3 PHE A 60 -4.941 -3.316 -12.836 1.00 61.35 H new ATOM 0 HD1 PHE A 60 -6.292 -1.717 -9.779 1.00 53.24 H new ATOM 0 HD2 PHE A 60 -2.858 -2.331 -12.225 1.00 32.12 H new ATOM 0 HE1 PHE A 60 -4.869 -0.767 -8.017 1.00 61.22 H new ATOM 0 HE2 PHE A 60 -1.432 -1.385 -10.463 1.00 4.31 H new ATOM 0 HZ PHE A 60 -2.434 -0.603 -8.353 1.00 62.22 H new ATOM 952 N GLY A 61 -8.063 -2.755 -14.162 1.00 22.11 N ATOM 953 CA GLY A 61 -9.454 -3.113 -14.367 1.00 52.42 C ATOM 954 C GLY A 61 -9.646 -4.603 -14.569 1.00 13.34 C ATOM 955 O GLY A 61 -8.850 -5.253 -15.246 1.00 1.22 O ATOM 0 H GLY A 61 -7.408 -3.197 -14.806 1.00 22.11 H new ATOM 0 HA2 GLY A 61 -10.040 -2.788 -13.507 1.00 52.42 H new ATOM 0 HA3 GLY A 61 -9.839 -2.579 -15.236 1.00 52.42 H new ATOM 959 N VAL A 62 -10.706 -5.146 -13.978 1.00 23.53 N ATOM 960 CA VAL A 62 -11.000 -6.570 -14.095 1.00 42.30 C ATOM 961 C VAL A 62 -12.272 -6.803 -14.902 1.00 32.22 C ATOM 962 O VAL A 62 -13.317 -6.217 -14.617 1.00 21.33 O ATOM 963 CB VAL A 62 -11.155 -7.227 -12.711 1.00 11.34 C ATOM 964 CG1 VAL A 62 -9.794 -7.440 -12.065 1.00 14.41 C ATOM 965 CG2 VAL A 62 -12.052 -6.382 -11.818 1.00 63.00 C ATOM 0 H VAL A 62 -11.375 -4.622 -13.414 1.00 23.53 H new ATOM 0 HA VAL A 62 -10.156 -7.026 -14.612 1.00 42.30 H new ATOM 0 HB VAL A 62 -11.625 -8.202 -12.841 1.00 11.34 H new ATOM 0 HG11 VAL A 62 -9.924 -7.905 -11.088 1.00 14.41 H new ATOM 0 HG12 VAL A 62 -9.188 -8.088 -12.698 1.00 14.41 H new ATOM 0 HG13 VAL A 62 -9.293 -6.479 -11.946 1.00 14.41 H new ATOM 0 HG21 VAL A 62 -12.151 -6.861 -10.844 1.00 63.00 H new ATOM 0 HG22 VAL A 62 -11.613 -5.392 -11.693 1.00 63.00 H new ATOM 0 HG23 VAL A 62 -13.036 -6.287 -12.277 1.00 63.00 H new ATOM 975 N TYR A 63 -12.177 -7.663 -15.910 1.00 33.02 N ATOM 976 CA TYR A 63 -13.320 -7.973 -16.760 1.00 35.20 C ATOM 977 C TYR A 63 -13.413 -9.473 -17.023 1.00 21.22 C ATOM 978 O TYR A 63 -12.438 -10.105 -17.431 1.00 50.51 O ATOM 979 CB TYR A 63 -13.217 -7.217 -18.086 1.00 23.43 C ATOM 980 CG TYR A 63 -12.344 -7.908 -19.110 1.00 14.23 C ATOM 981 CD1 TYR A 63 -12.879 -8.840 -19.990 1.00 63.45 C ATOM 982 CD2 TYR A 63 -10.986 -7.629 -19.196 1.00 52.41 C ATOM 983 CE1 TYR A 63 -12.086 -9.474 -20.927 1.00 64.33 C ATOM 984 CE2 TYR A 63 -10.186 -8.257 -20.131 1.00 1.54 C ATOM 985 CZ TYR A 63 -10.740 -9.179 -20.994 1.00 11.42 C ATOM 986 OH TYR A 63 -9.946 -9.807 -21.925 1.00 61.42 O ATOM 0 H TYR A 63 -11.320 -8.158 -16.158 1.00 33.02 H new ATOM 0 HA TYR A 63 -14.224 -7.657 -16.239 1.00 35.20 H new ATOM 0 HB2 TYR A 63 -14.217 -7.089 -18.500 1.00 23.43 H new ATOM 0 HB3 TYR A 63 -12.820 -6.220 -17.896 1.00 23.43 H new ATOM 0 HD1 TYR A 63 -13.932 -9.073 -19.941 1.00 63.45 H new ATOM 0 HD2 TYR A 63 -10.548 -6.909 -18.521 1.00 52.41 H new ATOM 0 HE1 TYR A 63 -12.518 -10.197 -21.604 1.00 64.33 H new ATOM 0 HE2 TYR A 63 -9.132 -8.027 -20.186 1.00 1.54 H new ATOM 0 HH TYR A 63 -10.225 -10.742 -22.016 1.00 61.42 H new ATOM 996 N ASP A 64 -14.592 -10.037 -16.786 1.00 12.10 N ATOM 997 CA ASP A 64 -14.815 -11.462 -16.998 1.00 63.41 C ATOM 998 C ASP A 64 -14.581 -11.837 -18.458 1.00 74.43 C ATOM 999 O ASP A 64 -15.432 -11.595 -19.315 1.00 74.52 O ATOM 1000 CB ASP A 64 -16.235 -11.846 -16.581 1.00 32.32 C ATOM 1001 CG ASP A 64 -16.658 -13.192 -17.136 1.00 52.04 C ATOM 1002 OD1 ASP A 64 -16.371 -14.219 -16.486 1.00 51.43 O ATOM 1003 OD2 ASP A 64 -17.276 -13.219 -18.222 1.00 5.41 O ATOM 0 H ASP A 64 -15.409 -9.529 -16.447 1.00 12.10 H new ATOM 0 HA ASP A 64 -14.103 -12.011 -16.382 1.00 63.41 H new ATOM 0 HB2 ASP A 64 -16.297 -11.869 -15.493 1.00 32.32 H new ATOM 0 HB3 ASP A 64 -16.931 -11.080 -16.924 1.00 32.32 H new ATOM 1008 N CYS A 65 -13.424 -12.428 -18.734 1.00 41.23 N ATOM 1009 CA CYS A 65 -13.078 -12.835 -20.092 1.00 4.54 C ATOM 1010 C CYS A 65 -13.662 -14.206 -20.414 1.00 24.22 C ATOM 1011 O CYS A 65 -13.548 -14.692 -21.538 1.00 51.03 O ATOM 1012 CB CYS A 65 -11.559 -12.860 -20.267 1.00 5.42 C ATOM 1013 SG CYS A 65 -11.013 -12.797 -21.990 1.00 10.24 S ATOM 0 H CYS A 65 -12.710 -12.636 -18.036 1.00 41.23 H new ATOM 0 HA CYS A 65 -13.504 -12.108 -20.783 1.00 4.54 H new ATOM 0 HB2 CYS A 65 -11.128 -12.015 -19.729 1.00 5.42 H new ATOM 0 HB3 CYS A 65 -11.166 -13.766 -19.805 1.00 5.42 H new ATOM 0 HG CYS A 65 -9.714 -12.821 -22.035 1.00 10.24 H new ATOM 1019 N GLY A 66 -14.286 -14.827 -19.417 1.00 40.14 N ATOM 1020 CA GLY A 66 -14.877 -16.138 -19.614 1.00 42.33 C ATOM 1021 C GLY A 66 -13.947 -17.261 -19.201 1.00 2.03 C ATOM 1022 O GLY A 66 -14.393 -18.293 -18.702 1.00 70.31 O ATOM 0 H GLY A 66 -14.393 -14.446 -18.477 1.00 40.14 H new ATOM 0 HA2 GLY A 66 -15.801 -16.206 -19.040 1.00 42.33 H new ATOM 0 HA3 GLY A 66 -15.144 -16.259 -20.664 1.00 42.33 H new ATOM 1026 N ASN A 67 -12.650 -17.060 -19.410 1.00 24.35 N ATOM 1027 CA ASN A 67 -11.654 -18.066 -19.057 1.00 31.13 C ATOM 1028 C ASN A 67 -10.686 -17.529 -18.007 1.00 50.52 C ATOM 1029 O ASN A 67 -9.971 -18.291 -17.357 1.00 34.43 O ATOM 1030 CB ASN A 67 -10.881 -18.507 -20.301 1.00 73.33 C ATOM 1031 CG ASN A 67 -11.448 -19.773 -20.915 1.00 41.13 C ATOM 1032 OD1 ASN A 67 -10.774 -20.801 -20.979 1.00 4.02 O ATOM 1033 ND2 ASN A 67 -12.693 -19.703 -21.371 1.00 51.12 N ATOM 0 H ASN A 67 -12.264 -16.210 -19.822 1.00 24.35 H new ATOM 0 HA ASN A 67 -12.176 -18.926 -18.638 1.00 31.13 H new ATOM 0 HB2 ASN A 67 -10.901 -17.707 -21.041 1.00 73.33 H new ATOM 0 HB3 ASN A 67 -9.836 -18.671 -20.037 1.00 73.33 H new ATOM 0 HD21 ASN A 67 -13.128 -20.523 -21.795 1.00 51.12 H new ATOM 0 HD22 ASN A 67 -13.215 -18.830 -21.297 1.00 51.12 H new ATOM 1040 N LYS A 68 -10.668 -16.210 -17.847 1.00 53.41 N ATOM 1041 CA LYS A 68 -9.790 -15.568 -16.876 1.00 33.12 C ATOM 1042 C LYS A 68 -10.054 -14.067 -16.812 1.00 34.14 C ATOM 1043 O LYS A 68 -10.893 -13.543 -17.545 1.00 73.43 O ATOM 1044 CB LYS A 68 -8.325 -15.824 -17.235 1.00 41.22 C ATOM 1045 CG LYS A 68 -7.906 -15.205 -18.558 1.00 31.23 C ATOM 1046 CD LYS A 68 -8.245 -16.111 -19.729 1.00 74.24 C ATOM 1047 CE LYS A 68 -9.312 -15.494 -20.621 1.00 12.04 C ATOM 1048 NZ LYS A 68 -9.082 -15.806 -22.058 1.00 53.25 N ATOM 0 H LYS A 68 -11.252 -15.564 -18.378 1.00 53.41 H new ATOM 0 HA LYS A 68 -9.998 -15.998 -15.896 1.00 33.12 H new ATOM 0 HB2 LYS A 68 -7.691 -15.429 -16.441 1.00 41.22 H new ATOM 0 HB3 LYS A 68 -8.152 -16.899 -17.276 1.00 41.22 H new ATOM 0 HG2 LYS A 68 -8.404 -14.243 -18.685 1.00 31.23 H new ATOM 0 HG3 LYS A 68 -6.834 -15.010 -18.546 1.00 31.23 H new ATOM 0 HD2 LYS A 68 -7.346 -16.302 -20.315 1.00 74.24 H new ATOM 0 HD3 LYS A 68 -8.593 -17.074 -19.356 1.00 74.24 H new ATOM 0 HE2 LYS A 68 -10.293 -15.863 -20.322 1.00 12.04 H new ATOM 0 HE3 LYS A 68 -9.322 -14.413 -20.481 1.00 12.04 H new ATOM 0 HZ1 LYS A 68 -9.830 -15.368 -22.632 1.00 53.25 H new ATOM 0 HZ2 LYS A 68 -8.157 -15.432 -22.351 1.00 53.25 H new ATOM 0 HZ3 LYS A 68 -9.098 -16.837 -22.196 1.00 53.25 H new ATOM 1062 N ILE A 69 -9.333 -13.381 -15.932 1.00 30.24 N ATOM 1063 CA ILE A 69 -9.488 -11.940 -15.775 1.00 34.44 C ATOM 1064 C ILE A 69 -8.240 -11.199 -16.241 1.00 53.22 C ATOM 1065 O ILE A 69 -7.297 -11.009 -15.474 1.00 41.02 O ATOM 1066 CB ILE A 69 -9.780 -11.562 -14.310 1.00 44.35 C ATOM 1067 CG1 ILE A 69 -10.916 -12.422 -13.755 1.00 21.44 C ATOM 1068 CG2 ILE A 69 -10.126 -10.084 -14.204 1.00 72.24 C ATOM 1069 CD1 ILE A 69 -12.110 -12.516 -14.678 1.00 73.11 C ATOM 0 H ILE A 69 -8.636 -13.800 -15.317 1.00 30.24 H new ATOM 0 HA ILE A 69 -10.335 -11.644 -16.394 1.00 34.44 H new ATOM 0 HB ILE A 69 -8.885 -11.749 -13.716 1.00 44.35 H new ATOM 0 HG12 ILE A 69 -10.539 -13.426 -13.559 1.00 21.44 H new ATOM 0 HG13 ILE A 69 -11.238 -12.011 -12.798 1.00 21.44 H new ATOM 0 HG21 ILE A 69 -10.330 -9.832 -13.163 1.00 72.24 H new ATOM 0 HG22 ILE A 69 -9.288 -9.487 -14.565 1.00 72.24 H new ATOM 0 HG23 ILE A 69 -11.008 -9.873 -14.808 1.00 72.24 H new ATOM 0 HD11 ILE A 69 -12.876 -13.141 -14.219 1.00 73.11 H new ATOM 0 HD12 ILE A 69 -12.513 -11.519 -14.854 1.00 73.11 H new ATOM 0 HD13 ILE A 69 -11.803 -12.956 -15.627 1.00 73.11 H new ATOM 1081 N GLN A 70 -8.244 -10.781 -17.503 1.00 10.21 N ATOM 1082 CA GLN A 70 -7.112 -10.059 -18.071 1.00 40.51 C ATOM 1083 C GLN A 70 -7.165 -8.581 -17.695 1.00 65.41 C ATOM 1084 O GLN A 70 -7.960 -7.819 -18.244 1.00 11.54 O ATOM 1085 CB GLN A 70 -7.096 -10.209 -19.593 1.00 61.32 C ATOM 1086 CG GLN A 70 -5.754 -9.873 -20.224 1.00 12.13 C ATOM 1087 CD GLN A 70 -5.402 -10.796 -21.374 1.00 2.15 C ATOM 1088 OE1 GLN A 70 -5.740 -11.980 -21.360 1.00 42.13 O ATOM 1089 NE2 GLN A 70 -4.719 -10.258 -22.377 1.00 41.32 N ATOM 0 H GLN A 70 -9.018 -10.930 -18.151 1.00 10.21 H new ATOM 0 HA GLN A 70 -6.198 -10.488 -17.661 1.00 40.51 H new ATOM 0 HB2 GLN A 70 -7.363 -11.234 -19.851 1.00 61.32 H new ATOM 0 HB3 GLN A 70 -7.862 -9.562 -20.021 1.00 61.32 H new ATOM 0 HG2 GLN A 70 -5.773 -8.844 -20.582 1.00 12.13 H new ATOM 0 HG3 GLN A 70 -4.975 -9.932 -19.464 1.00 12.13 H new ATOM 0 HE21 GLN A 70 -4.460 -9.272 -22.347 1.00 41.32 H new ATOM 0 HE22 GLN A 70 -4.453 -10.831 -23.178 1.00 41.32 H new ATOM 1098 N PHE A 71 -6.312 -8.184 -16.756 1.00 72.31 N ATOM 1099 CA PHE A 71 -6.262 -6.798 -16.305 1.00 74.35 C ATOM 1100 C PHE A 71 -4.942 -6.144 -16.702 1.00 70.53 C ATOM 1101 O PHE A 71 -3.866 -6.676 -16.428 1.00 1.45 O ATOM 1102 CB PHE A 71 -6.444 -6.726 -14.788 1.00 33.30 C ATOM 1103 CG PHE A 71 -5.234 -7.170 -14.017 1.00 44.54 C ATOM 1104 CD1 PHE A 71 -4.880 -8.508 -13.967 1.00 71.30 C ATOM 1105 CD2 PHE A 71 -4.449 -6.247 -13.344 1.00 22.51 C ATOM 1106 CE1 PHE A 71 -3.767 -8.919 -13.258 1.00 10.20 C ATOM 1107 CE2 PHE A 71 -3.334 -6.652 -12.634 1.00 33.05 C ATOM 1108 CZ PHE A 71 -2.992 -7.989 -12.591 1.00 75.45 C ATOM 0 H PHE A 71 -5.646 -8.802 -16.293 1.00 72.31 H new ATOM 0 HA PHE A 71 -7.075 -6.256 -16.787 1.00 74.35 H new ATOM 0 HB2 PHE A 71 -6.688 -5.701 -14.508 1.00 33.30 H new ATOM 0 HB3 PHE A 71 -7.294 -7.345 -14.502 1.00 33.30 H new ATOM 0 HD1 PHE A 71 -5.481 -9.239 -14.488 1.00 71.30 H new ATOM 0 HD2 PHE A 71 -4.711 -5.200 -13.375 1.00 22.51 H new ATOM 0 HE1 PHE A 71 -3.503 -9.966 -13.225 1.00 10.20 H new ATOM 0 HE2 PHE A 71 -2.731 -5.923 -12.113 1.00 33.05 H new ATOM 0 HZ PHE A 71 -2.121 -8.307 -12.037 1.00 75.45 H new ATOM 1118 N VAL A 72 -5.033 -4.988 -17.351 1.00 43.13 N ATOM 1119 CA VAL A 72 -3.847 -4.260 -17.786 1.00 65.22 C ATOM 1120 C VAL A 72 -3.808 -2.861 -17.182 1.00 23.22 C ATOM 1121 O VAL A 72 -4.843 -2.214 -17.020 1.00 12.04 O ATOM 1122 CB VAL A 72 -3.789 -4.146 -19.321 1.00 74.22 C ATOM 1123 CG1 VAL A 72 -2.653 -3.229 -19.747 1.00 12.33 C ATOM 1124 CG2 VAL A 72 -3.639 -5.522 -19.952 1.00 73.20 C ATOM 0 H VAL A 72 -5.916 -4.535 -17.587 1.00 43.13 H new ATOM 0 HA VAL A 72 -2.983 -4.827 -17.438 1.00 65.22 H new ATOM 0 HB VAL A 72 -4.725 -3.711 -19.671 1.00 74.22 H new ATOM 0 HG11 VAL A 72 -2.628 -3.161 -20.835 1.00 12.33 H new ATOM 0 HG12 VAL A 72 -2.809 -2.236 -19.325 1.00 12.33 H new ATOM 0 HG13 VAL A 72 -1.706 -3.631 -19.387 1.00 12.33 H new ATOM 0 HG21 VAL A 72 -3.600 -5.423 -21.037 1.00 73.20 H new ATOM 0 HG22 VAL A 72 -2.719 -5.987 -19.597 1.00 73.20 H new ATOM 0 HG23 VAL A 72 -4.490 -6.144 -19.675 1.00 73.20 H new ATOM 1134 N LEU A 73 -2.607 -2.399 -16.850 1.00 72.14 N ATOM 1135 CA LEU A 73 -2.432 -1.075 -16.264 1.00 11.02 C ATOM 1136 C LEU A 73 -1.269 -0.338 -16.920 1.00 54.24 C ATOM 1137 O LEU A 73 -0.301 -0.955 -17.363 1.00 60.41 O ATOM 1138 CB LEU A 73 -2.192 -1.191 -14.757 1.00 51.45 C ATOM 1139 CG LEU A 73 -1.364 -2.392 -14.300 1.00 41.20 C ATOM 1140 CD1 LEU A 73 -2.158 -3.679 -14.458 1.00 32.00 C ATOM 1141 CD2 LEU A 73 -0.060 -2.469 -15.080 1.00 43.42 C ATOM 0 H LEU A 73 -1.740 -2.922 -16.977 1.00 72.14 H new ATOM 0 HA LEU A 73 -3.344 -0.504 -16.438 1.00 11.02 H new ATOM 0 HB2 LEU A 73 -1.695 -0.282 -14.417 1.00 51.45 H new ATOM 0 HB3 LEU A 73 -3.160 -1.231 -14.257 1.00 51.45 H new ATOM 0 HG LEU A 73 -1.126 -2.264 -13.244 1.00 41.20 H new ATOM 0 HD11 LEU A 73 -1.552 -4.523 -14.128 1.00 32.00 H new ATOM 0 HD12 LEU A 73 -3.064 -3.624 -13.854 1.00 32.00 H new ATOM 0 HD13 LEU A 73 -2.428 -3.814 -15.505 1.00 32.00 H new ATOM 0 HD21 LEU A 73 0.516 -3.330 -14.741 1.00 43.42 H new ATOM 0 HD22 LEU A 73 -0.277 -2.573 -16.143 1.00 43.42 H new ATOM 0 HD23 LEU A 73 0.517 -1.559 -14.915 1.00 43.42 H new ATOM 1153 N TRP A 74 -1.372 0.985 -16.978 1.00 4.02 N ATOM 1154 CA TRP A 74 -0.327 1.807 -17.579 1.00 21.25 C ATOM 1155 C TRP A 74 0.444 2.575 -16.510 1.00 75.41 C ATOM 1156 O TRP A 74 -0.146 3.108 -15.569 1.00 72.05 O ATOM 1157 CB TRP A 74 -0.934 2.783 -18.587 1.00 72.25 C ATOM 1158 CG TRP A 74 -1.317 4.100 -17.983 1.00 41.03 C ATOM 1159 CD1 TRP A 74 -2.399 4.354 -17.190 1.00 0.31 C ATOM 1160 CD2 TRP A 74 -0.620 5.343 -18.126 1.00 33.23 C ATOM 1161 NE1 TRP A 74 -2.417 5.680 -16.831 1.00 11.45 N ATOM 1162 CE2 TRP A 74 -1.336 6.308 -17.391 1.00 13.11 C ATOM 1163 CE3 TRP A 74 0.539 5.734 -18.800 1.00 63.33 C ATOM 1164 CZ2 TRP A 74 -0.930 7.638 -17.315 1.00 25.52 C ATOM 1165 CZ3 TRP A 74 0.941 7.053 -18.724 1.00 45.50 C ATOM 1166 CH2 TRP A 74 0.209 7.992 -17.985 1.00 44.52 C ATOM 0 H TRP A 74 -2.168 1.511 -16.617 1.00 4.02 H new ATOM 0 HA TRP A 74 0.368 1.146 -18.097 1.00 21.25 H new ATOM 0 HB2 TRP A 74 -0.219 2.955 -19.391 1.00 72.25 H new ATOM 0 HB3 TRP A 74 -1.816 2.328 -19.037 1.00 72.25 H new ATOM 0 HD1 TRP A 74 -3.133 3.621 -16.889 1.00 0.31 H new ATOM 0 HE1 TRP A 74 -3.121 6.125 -16.243 1.00 11.45 H new ATOM 0 HE3 TRP A 74 1.111 5.017 -19.371 1.00 63.33 H new ATOM 0 HZ2 TRP A 74 -1.494 8.364 -16.748 1.00 25.52 H new ATOM 0 HZ3 TRP A 74 1.835 7.366 -19.243 1.00 45.50 H new ATOM 0 HH2 TRP A 74 0.551 9.016 -17.944 1.00 44.52 H new ATOM 1177 N CYS A 75 1.762 2.627 -16.661 1.00 2.13 N ATOM 1178 CA CYS A 75 2.613 3.330 -15.707 1.00 43.13 C ATOM 1179 C CYS A 75 2.627 4.828 -15.993 1.00 2.34 C ATOM 1180 O CYS A 75 2.913 5.271 -17.105 1.00 72.45 O ATOM 1181 CB CYS A 75 4.038 2.776 -15.758 1.00 73.41 C ATOM 1182 SG CYS A 75 4.424 1.610 -14.431 1.00 0.11 S ATOM 0 H CYS A 75 2.265 2.191 -17.434 1.00 2.13 H new ATOM 0 HA CYS A 75 2.205 3.172 -14.709 1.00 43.13 H new ATOM 0 HB2 CYS A 75 4.190 2.281 -16.717 1.00 73.41 H new ATOM 0 HB3 CYS A 75 4.742 3.607 -15.713 1.00 73.41 H new ATOM 0 HG CYS A 75 5.649 1.195 -14.560 1.00 0.11 H new ATOM 1188 N PRO A 76 2.310 5.630 -14.965 1.00 31.52 N ATOM 1189 CA PRO A 76 2.278 7.090 -15.081 1.00 14.54 C ATOM 1190 C PRO A 76 3.670 7.690 -15.245 1.00 60.14 C ATOM 1191 O PRO A 76 4.621 7.263 -14.591 1.00 3.13 O ATOM 1192 CB PRO A 76 1.656 7.538 -13.755 1.00 63.21 C ATOM 1193 CG PRO A 76 1.969 6.438 -12.800 1.00 75.22 C ATOM 1194 CD PRO A 76 1.959 5.171 -13.610 1.00 72.02 C ATOM 0 HA PRO A 76 1.723 7.416 -15.960 1.00 14.54 H new ATOM 0 HB2 PRO A 76 2.078 8.486 -13.420 1.00 63.21 H new ATOM 0 HB3 PRO A 76 0.580 7.684 -13.852 1.00 63.21 H new ATOM 0 HG2 PRO A 76 2.940 6.593 -12.331 1.00 75.22 H new ATOM 0 HG3 PRO A 76 1.231 6.395 -11.999 1.00 75.22 H new ATOM 0 HD2 PRO A 76 2.680 4.446 -13.232 1.00 72.02 H new ATOM 0 HD3 PRO A 76 0.982 4.689 -13.590 1.00 72.02 H new ATOM 1202 N ASP A 77 3.782 8.681 -16.123 1.00 23.21 N ATOM 1203 CA ASP A 77 5.059 9.340 -16.372 1.00 51.24 C ATOM 1204 C ASP A 77 5.262 10.511 -15.415 1.00 63.53 C ATOM 1205 O ASP A 77 6.274 11.208 -15.478 1.00 71.32 O ATOM 1206 CB ASP A 77 5.130 9.830 -17.819 1.00 52.35 C ATOM 1207 CG ASP A 77 6.556 9.968 -18.315 1.00 0.11 C ATOM 1208 OD1 ASP A 77 7.467 9.424 -17.657 1.00 62.44 O ATOM 1209 OD2 ASP A 77 6.761 10.621 -19.360 1.00 1.34 O ATOM 0 H ASP A 77 3.005 9.045 -16.674 1.00 23.21 H new ATOM 0 HA ASP A 77 5.854 8.614 -16.203 1.00 51.24 H new ATOM 0 HB2 ASP A 77 4.591 9.134 -18.462 1.00 52.35 H new ATOM 0 HB3 ASP A 77 4.626 10.793 -17.898 1.00 52.35 H new ATOM 1214 N ASN A 78 4.293 10.720 -14.531 1.00 11.24 N ATOM 1215 CA ASN A 78 4.365 11.807 -13.561 1.00 52.42 C ATOM 1216 C ASN A 78 5.078 11.357 -12.290 1.00 61.41 C ATOM 1217 O ASN A 78 5.723 12.155 -11.611 1.00 51.35 O ATOM 1218 CB ASN A 78 2.960 12.309 -13.221 1.00 31.44 C ATOM 1219 CG ASN A 78 2.955 13.760 -12.781 1.00 34.00 C ATOM 1220 OD1 ASN A 78 3.452 14.636 -13.488 1.00 43.23 O ATOM 1221 ND2 ASN A 78 2.390 14.021 -11.607 1.00 63.55 N ATOM 0 H ASN A 78 3.449 10.152 -14.466 1.00 11.24 H new ATOM 0 HA ASN A 78 4.936 12.621 -14.007 1.00 52.42 H new ATOM 0 HB2 ASN A 78 2.315 12.194 -14.092 1.00 31.44 H new ATOM 0 HB3 ASN A 78 2.538 11.691 -12.429 1.00 31.44 H new ATOM 0 HD21 ASN A 78 2.356 14.979 -11.259 1.00 63.55 H new ATOM 0 HD22 ASN A 78 1.990 13.263 -11.054 1.00 63.55 H new ATOM 1228 N ALA A 79 4.958 10.071 -11.975 1.00 14.12 N ATOM 1229 CA ALA A 79 5.593 9.513 -10.787 1.00 54.13 C ATOM 1230 C ALA A 79 5.276 8.029 -10.642 1.00 33.44 C ATOM 1231 O ALA A 79 4.509 7.615 -9.771 1.00 41.43 O ATOM 1232 CB ALA A 79 5.151 10.274 -9.546 1.00 34.52 C ATOM 0 H ALA A 79 4.427 9.396 -12.526 1.00 14.12 H new ATOM 0 HA ALA A 79 6.672 9.618 -10.898 1.00 54.13 H new ATOM 0 HB1 ALA A 79 5.633 9.847 -8.666 1.00 34.52 H new ATOM 0 HB2 ALA A 79 5.434 11.322 -9.642 1.00 34.52 H new ATOM 0 HB3 ALA A 79 4.069 10.199 -9.439 1.00 34.52 H new ATOM 1238 N PRO A 80 5.878 7.206 -11.513 1.00 72.11 N ATOM 1239 CA PRO A 80 5.675 5.754 -11.501 1.00 55.24 C ATOM 1240 C PRO A 80 6.310 5.090 -10.285 1.00 31.41 C ATOM 1241 O PRO A 80 5.861 4.035 -9.836 1.00 64.42 O ATOM 1242 CB PRO A 80 6.364 5.289 -12.786 1.00 64.02 C ATOM 1243 CG PRO A 80 7.390 6.333 -13.065 1.00 54.31 C ATOM 1244 CD PRO A 80 6.804 7.629 -12.577 1.00 11.42 C ATOM 0 HA PRO A 80 4.619 5.490 -11.449 1.00 55.24 H new ATOM 0 HB2 PRO A 80 6.822 4.308 -12.657 1.00 64.02 H new ATOM 0 HB3 PRO A 80 5.653 5.203 -13.608 1.00 64.02 H new ATOM 0 HG2 PRO A 80 8.325 6.109 -12.551 1.00 54.31 H new ATOM 0 HG3 PRO A 80 7.616 6.383 -14.130 1.00 54.31 H new ATOM 0 HD2 PRO A 80 7.574 8.300 -12.196 1.00 11.42 H new ATOM 0 HD3 PRO A 80 6.284 8.160 -13.374 1.00 11.42 H new ATOM 1252 N VAL A 81 7.357 5.714 -9.755 1.00 32.14 N ATOM 1253 CA VAL A 81 8.053 5.184 -8.589 1.00 21.45 C ATOM 1254 C VAL A 81 7.073 4.837 -7.474 1.00 33.23 C ATOM 1255 O VAL A 81 7.353 3.988 -6.627 1.00 13.01 O ATOM 1256 CB VAL A 81 9.091 6.186 -8.051 1.00 3.23 C ATOM 1257 CG1 VAL A 81 8.435 7.525 -7.750 1.00 30.02 C ATOM 1258 CG2 VAL A 81 9.777 5.629 -6.812 1.00 45.25 C ATOM 0 H VAL A 81 7.742 6.587 -10.115 1.00 32.14 H new ATOM 0 HA VAL A 81 8.567 4.279 -8.912 1.00 21.45 H new ATOM 0 HB VAL A 81 9.849 6.344 -8.818 1.00 3.23 H new ATOM 0 HG11 VAL A 81 9.184 8.220 -7.371 1.00 30.02 H new ATOM 0 HG12 VAL A 81 7.995 7.928 -8.662 1.00 30.02 H new ATOM 0 HG13 VAL A 81 7.655 7.388 -7.001 1.00 30.02 H new ATOM 0 HG21 VAL A 81 10.507 6.350 -6.445 1.00 45.25 H new ATOM 0 HG22 VAL A 81 9.033 5.440 -6.038 1.00 45.25 H new ATOM 0 HG23 VAL A 81 10.283 4.697 -7.064 1.00 45.25 H new ATOM 1268 N LYS A 82 5.921 5.499 -7.479 1.00 73.24 N ATOM 1269 CA LYS A 82 4.896 5.261 -6.470 1.00 73.51 C ATOM 1270 C LYS A 82 4.099 4.000 -6.791 1.00 11.01 C ATOM 1271 O LYS A 82 4.134 3.011 -6.058 1.00 42.13 O ATOM 1272 CB LYS A 82 3.953 6.463 -6.377 1.00 62.40 C ATOM 1273 CG LYS A 82 4.148 7.292 -5.120 1.00 11.23 C ATOM 1274 CD LYS A 82 4.667 8.683 -5.444 1.00 54.12 C ATOM 1275 CE LYS A 82 4.323 9.676 -4.345 1.00 5.53 C ATOM 1276 NZ LYS A 82 3.795 10.954 -4.897 1.00 15.30 N ATOM 0 H LYS A 82 5.674 6.206 -8.172 1.00 73.24 H new ATOM 0 HA LYS A 82 5.393 5.122 -5.510 1.00 73.51 H new ATOM 0 HB2 LYS A 82 4.102 7.100 -7.249 1.00 62.40 H new ATOM 0 HB3 LYS A 82 2.923 6.110 -6.413 1.00 62.40 H new ATOM 0 HG2 LYS A 82 3.202 7.371 -4.585 1.00 11.23 H new ATOM 0 HG3 LYS A 82 4.849 6.787 -4.455 1.00 11.23 H new ATOM 0 HD2 LYS A 82 5.748 8.647 -5.578 1.00 54.12 H new ATOM 0 HD3 LYS A 82 4.240 9.021 -6.388 1.00 54.12 H new ATOM 0 HE2 LYS A 82 3.583 9.236 -3.677 1.00 5.53 H new ATOM 0 HE3 LYS A 82 5.212 9.878 -3.747 1.00 5.53 H new ATOM 0 HZ1 LYS A 82 3.573 11.604 -4.116 1.00 15.30 H new ATOM 0 HZ2 LYS A 82 4.511 11.387 -5.515 1.00 15.30 H new ATOM 0 HZ3 LYS A 82 2.932 10.765 -5.446 1.00 15.30 H new ATOM 1290 N PRO A 83 3.364 4.033 -7.912 1.00 55.01 N ATOM 1291 CA PRO A 83 2.546 2.900 -8.356 1.00 51.32 C ATOM 1292 C PRO A 83 3.393 1.724 -8.830 1.00 1.13 C ATOM 1293 O PRO A 83 3.227 0.598 -8.360 1.00 1.54 O ATOM 1294 CB PRO A 83 1.738 3.480 -9.520 1.00 3.40 C ATOM 1295 CG PRO A 83 2.567 4.608 -10.031 1.00 60.12 C ATOM 1296 CD PRO A 83 3.274 5.179 -8.833 1.00 61.51 C ATOM 0 HA PRO A 83 1.931 2.501 -7.549 1.00 51.32 H new ATOM 0 HB2 PRO A 83 1.566 2.732 -10.294 1.00 3.40 H new ATOM 0 HB3 PRO A 83 0.759 3.826 -9.189 1.00 3.40 H new ATOM 0 HG2 PRO A 83 3.282 4.260 -10.777 1.00 60.12 H new ATOM 0 HG3 PRO A 83 1.945 5.362 -10.513 1.00 60.12 H new ATOM 0 HD2 PRO A 83 4.260 5.563 -9.094 1.00 61.51 H new ATOM 0 HD3 PRO A 83 2.716 6.005 -8.393 1.00 61.51 H new ATOM 1304 N ARG A 84 4.301 1.992 -9.762 1.00 43.51 N ATOM 1305 CA ARG A 84 5.174 0.956 -10.299 1.00 70.44 C ATOM 1306 C ARG A 84 5.775 0.115 -9.176 1.00 43.45 C ATOM 1307 O ARG A 84 6.029 -1.077 -9.347 1.00 53.44 O ATOM 1308 CB ARG A 84 6.291 1.582 -11.136 1.00 52.21 C ATOM 1309 CG ARG A 84 7.115 0.566 -11.910 1.00 5.53 C ATOM 1310 CD ARG A 84 8.475 0.345 -11.264 1.00 75.14 C ATOM 1311 NE ARG A 84 9.346 -0.483 -12.094 1.00 32.10 N ATOM 1312 CZ ARG A 84 10.662 -0.561 -11.928 1.00 55.23 C ATOM 1313 NH1 ARG A 84 11.254 0.136 -10.968 1.00 64.54 N ATOM 1314 NH2 ARG A 84 11.387 -1.337 -12.724 1.00 11.24 N ATOM 0 H ARG A 84 4.451 2.919 -10.161 1.00 43.51 H new ATOM 0 HA ARG A 84 4.574 0.306 -10.936 1.00 70.44 H new ATOM 0 HB2 ARG A 84 5.853 2.292 -11.837 1.00 52.21 H new ATOM 0 HB3 ARG A 84 6.952 2.148 -10.479 1.00 52.21 H new ATOM 0 HG2 ARG A 84 6.576 -0.380 -11.959 1.00 5.53 H new ATOM 0 HG3 ARG A 84 7.249 0.910 -12.936 1.00 5.53 H new ATOM 0 HD2 ARG A 84 8.953 1.308 -11.086 1.00 75.14 H new ATOM 0 HD3 ARG A 84 8.342 -0.130 -10.292 1.00 75.14 H new ATOM 0 HE ARG A 84 8.921 -1.031 -12.842 1.00 32.10 H new ATOM 0 HH11 ARG A 84 10.699 0.733 -10.355 1.00 64.54 H new ATOM 0 HH12 ARG A 84 12.264 0.075 -10.842 1.00 64.54 H new ATOM 0 HH21 ARG A 84 10.934 -1.874 -13.464 1.00 11.24 H new ATOM 0 HH22 ARG A 84 12.397 -1.397 -12.596 1.00 11.24 H new ATOM 1328 N MET A 85 6.001 0.746 -8.029 1.00 5.03 N ATOM 1329 CA MET A 85 6.572 0.056 -6.878 1.00 5.13 C ATOM 1330 C MET A 85 5.477 -0.566 -6.018 1.00 54.01 C ATOM 1331 O MET A 85 5.503 -1.763 -5.731 1.00 33.25 O ATOM 1332 CB MET A 85 7.407 1.025 -6.038 1.00 63.10 C ATOM 1333 CG MET A 85 8.707 1.443 -6.706 1.00 1.41 C ATOM 1334 SD MET A 85 10.019 0.224 -6.497 1.00 40.25 S ATOM 1335 CE MET A 85 10.667 0.695 -4.895 1.00 62.34 C ATOM 0 H MET A 85 5.798 1.733 -7.871 1.00 5.03 H new ATOM 0 HA MET A 85 7.216 -0.742 -7.248 1.00 5.13 H new ATOM 0 HB2 MET A 85 6.814 1.915 -5.827 1.00 63.10 H new ATOM 0 HB3 MET A 85 7.634 0.559 -5.079 1.00 63.10 H new ATOM 0 HG2 MET A 85 8.530 1.601 -7.770 1.00 1.41 H new ATOM 0 HG3 MET A 85 9.033 2.397 -6.292 1.00 1.41 H new ATOM 0 HE1 MET A 85 11.488 0.031 -4.625 1.00 62.34 H new ATOM 0 HE2 MET A 85 11.029 1.722 -4.937 1.00 62.34 H new ATOM 0 HE3 MET A 85 9.878 0.619 -4.147 1.00 62.34 H new ATOM 1345 N THR A 86 4.513 0.254 -5.610 1.00 4.42 N ATOM 1346 CA THR A 86 3.410 -0.215 -4.782 1.00 14.00 C ATOM 1347 C THR A 86 2.628 -1.320 -5.483 1.00 71.10 C ATOM 1348 O THR A 86 2.585 -2.457 -5.013 1.00 73.30 O ATOM 1349 CB THR A 86 2.446 0.933 -4.426 1.00 44.22 C ATOM 1350 OG1 THR A 86 3.150 1.963 -3.723 1.00 42.11 O ATOM 1351 CG2 THR A 86 1.293 0.427 -3.573 1.00 52.24 C ATOM 0 H THR A 86 4.475 1.247 -5.840 1.00 4.42 H new ATOM 0 HA THR A 86 3.849 -0.609 -3.865 1.00 14.00 H new ATOM 0 HB THR A 86 2.040 1.338 -5.353 1.00 44.22 H new ATOM 0 HG1 THR A 86 3.629 2.528 -4.364 1.00 42.11 H new ATOM 0 HG21 THR A 86 0.626 1.255 -3.334 1.00 52.24 H new ATOM 0 HG22 THR A 86 0.742 -0.336 -4.122 1.00 52.24 H new ATOM 0 HG23 THR A 86 1.684 -0.001 -2.650 1.00 52.24 H new ATOM 1359 N TYR A 87 2.012 -0.979 -6.609 1.00 70.35 N ATOM 1360 CA TYR A 87 1.230 -1.943 -7.375 1.00 30.03 C ATOM 1361 C TYR A 87 2.019 -3.229 -7.600 1.00 23.13 C ATOM 1362 O TYR A 87 1.445 -4.311 -7.712 1.00 72.54 O ATOM 1363 CB TYR A 87 0.817 -1.343 -8.720 1.00 31.13 C ATOM 1364 CG TYR A 87 1.368 -2.092 -9.912 1.00 21.32 C ATOM 1365 CD1 TYR A 87 0.718 -3.213 -10.413 1.00 63.53 C ATOM 1366 CD2 TYR A 87 2.539 -1.680 -10.536 1.00 12.10 C ATOM 1367 CE1 TYR A 87 1.218 -3.902 -11.502 1.00 4.32 C ATOM 1368 CE2 TYR A 87 3.045 -2.361 -11.626 1.00 4.02 C ATOM 1369 CZ TYR A 87 2.382 -3.471 -12.105 1.00 31.32 C ATOM 1370 OH TYR A 87 2.884 -4.153 -13.189 1.00 61.33 O ATOM 0 H TYR A 87 2.039 -0.042 -7.012 1.00 70.35 H new ATOM 0 HA TYR A 87 0.335 -2.183 -6.802 1.00 30.03 H new ATOM 0 HB2 TYR A 87 -0.271 -1.327 -8.783 1.00 31.13 H new ATOM 0 HB3 TYR A 87 1.154 -0.307 -8.765 1.00 31.13 H new ATOM 0 HD1 TYR A 87 -0.194 -3.552 -9.944 1.00 63.53 H new ATOM 0 HD2 TYR A 87 3.063 -0.812 -10.162 1.00 12.10 H new ATOM 0 HE1 TYR A 87 0.701 -4.772 -11.879 1.00 4.32 H new ATOM 0 HE2 TYR A 87 3.955 -2.026 -12.101 1.00 4.02 H new ATOM 0 HH TYR A 87 3.783 -3.822 -13.396 1.00 61.33 H new ATOM 1380 N ALA A 88 3.341 -3.101 -7.663 1.00 74.13 N ATOM 1381 CA ALA A 88 4.210 -4.252 -7.872 1.00 23.11 C ATOM 1382 C ALA A 88 4.050 -5.272 -6.749 1.00 42.25 C ATOM 1383 O ALA A 88 3.698 -6.426 -6.992 1.00 71.02 O ATOM 1384 CB ALA A 88 5.661 -3.805 -7.978 1.00 72.04 C ATOM 0 H ALA A 88 3.833 -2.212 -7.572 1.00 74.13 H new ATOM 0 HA ALA A 88 3.919 -4.731 -8.807 1.00 23.11 H new ATOM 0 HB1 ALA A 88 6.299 -4.675 -8.134 1.00 72.04 H new ATOM 0 HB2 ALA A 88 5.770 -3.119 -8.818 1.00 72.04 H new ATOM 0 HB3 ALA A 88 5.954 -3.300 -7.058 1.00 72.04 H new ATOM 1390 N SER A 89 4.312 -4.838 -5.520 1.00 72.35 N ATOM 1391 CA SER A 89 4.201 -5.715 -4.361 1.00 31.32 C ATOM 1392 C SER A 89 2.771 -5.735 -3.830 1.00 32.34 C ATOM 1393 O SER A 89 2.485 -6.358 -2.807 1.00 4.02 O ATOM 1394 CB SER A 89 5.160 -5.262 -3.258 1.00 40.15 C ATOM 1395 OG SER A 89 6.339 -4.700 -3.808 1.00 23.21 O ATOM 0 H SER A 89 4.602 -3.885 -5.302 1.00 72.35 H new ATOM 0 HA SER A 89 4.469 -6.724 -4.673 1.00 31.32 H new ATOM 0 HB2 SER A 89 4.666 -4.528 -2.621 1.00 40.15 H new ATOM 0 HB3 SER A 89 5.419 -6.111 -2.625 1.00 40.15 H new ATOM 0 HG SER A 89 6.935 -4.417 -3.084 1.00 23.21 H new ATOM 1401 N SER A 90 1.875 -5.049 -4.533 1.00 24.13 N ATOM 1402 CA SER A 90 0.475 -4.984 -4.131 1.00 61.00 C ATOM 1403 C SER A 90 -0.374 -5.938 -4.966 1.00 13.34 C ATOM 1404 O SER A 90 -1.379 -6.470 -4.492 1.00 43.34 O ATOM 1405 CB SER A 90 -0.052 -3.555 -4.274 1.00 35.10 C ATOM 1406 OG SER A 90 -1.448 -3.549 -4.521 1.00 62.02 O ATOM 0 H SER A 90 2.094 -4.531 -5.384 1.00 24.13 H new ATOM 0 HA SER A 90 0.407 -5.285 -3.086 1.00 61.00 H new ATOM 0 HB2 SER A 90 0.162 -2.992 -3.365 1.00 35.10 H new ATOM 0 HB3 SER A 90 0.467 -3.052 -5.090 1.00 35.10 H new ATOM 0 HG SER A 90 -1.884 -4.214 -3.948 1.00 62.02 H new ATOM 1412 N LYS A 91 0.036 -6.150 -6.211 1.00 44.54 N ATOM 1413 CA LYS A 91 -0.684 -7.040 -7.114 1.00 50.41 C ATOM 1414 C LYS A 91 -0.954 -8.386 -6.450 1.00 40.00 C ATOM 1415 O LYS A 91 -1.944 -9.051 -6.754 1.00 71.43 O ATOM 1416 CB LYS A 91 0.113 -7.246 -8.404 1.00 3.21 C ATOM 1417 CG LYS A 91 1.483 -7.863 -8.180 1.00 71.32 C ATOM 1418 CD LYS A 91 1.463 -9.365 -8.414 1.00 13.52 C ATOM 1419 CE LYS A 91 2.325 -10.098 -7.398 1.00 60.32 C ATOM 1420 NZ LYS A 91 3.603 -10.575 -7.997 1.00 14.13 N ATOM 0 H LYS A 91 0.865 -5.717 -6.619 1.00 44.54 H new ATOM 0 HA LYS A 91 -1.640 -6.576 -7.356 1.00 50.41 H new ATOM 0 HB2 LYS A 91 -0.459 -7.886 -9.076 1.00 3.21 H new ATOM 0 HB3 LYS A 91 0.234 -6.285 -8.904 1.00 3.21 H new ATOM 0 HG2 LYS A 91 2.206 -7.399 -8.851 1.00 71.32 H new ATOM 0 HG3 LYS A 91 1.814 -7.657 -7.162 1.00 71.32 H new ATOM 0 HD2 LYS A 91 0.438 -9.730 -8.354 1.00 13.52 H new ATOM 0 HD3 LYS A 91 1.820 -9.582 -9.421 1.00 13.52 H new ATOM 0 HE2 LYS A 91 2.542 -9.435 -6.560 1.00 60.32 H new ATOM 0 HE3 LYS A 91 1.772 -10.948 -6.998 1.00 60.32 H new ATOM 0 HZ1 LYS A 91 4.162 -11.069 -7.273 1.00 14.13 H new ATOM 0 HZ2 LYS A 91 3.397 -11.227 -8.781 1.00 14.13 H new ATOM 0 HZ3 LYS A 91 4.143 -9.762 -8.356 1.00 14.13 H new ATOM 1434 N ASP A 92 -0.069 -8.780 -5.542 1.00 23.44 N ATOM 1435 CA ASP A 92 -0.213 -10.046 -4.832 1.00 71.44 C ATOM 1436 C ASP A 92 -1.602 -10.167 -4.213 1.00 1.11 C ATOM 1437 O ASP A 92 -2.122 -11.269 -4.040 1.00 43.21 O ATOM 1438 CB ASP A 92 0.856 -10.172 -3.746 1.00 42.20 C ATOM 1439 CG ASP A 92 1.329 -11.600 -3.561 1.00 33.41 C ATOM 1440 OD1 ASP A 92 1.946 -12.147 -4.499 1.00 1.25 O ATOM 1441 OD2 ASP A 92 1.080 -12.172 -2.479 1.00 22.44 O ATOM 0 H ASP A 92 0.756 -8.241 -5.280 1.00 23.44 H new ATOM 0 HA ASP A 92 -0.084 -10.854 -5.552 1.00 71.44 H new ATOM 0 HB2 ASP A 92 1.707 -9.541 -4.003 1.00 42.20 H new ATOM 0 HB3 ASP A 92 0.457 -9.800 -2.803 1.00 42.20 H new ATOM 1446 N ALA A 93 -2.197 -9.026 -3.880 1.00 24.13 N ATOM 1447 CA ALA A 93 -3.525 -9.004 -3.280 1.00 51.23 C ATOM 1448 C ALA A 93 -4.602 -8.794 -4.340 1.00 2.45 C ATOM 1449 O ALA A 93 -5.544 -9.580 -4.446 1.00 52.32 O ATOM 1450 CB ALA A 93 -3.607 -7.917 -2.219 1.00 10.22 C ATOM 0 H ALA A 93 -1.780 -8.105 -4.016 1.00 24.13 H new ATOM 0 HA ALA A 93 -3.700 -9.971 -2.808 1.00 51.23 H new ATOM 0 HB1 ALA A 93 -4.604 -7.912 -1.779 1.00 10.22 H new ATOM 0 HB2 ALA A 93 -2.869 -8.111 -1.441 1.00 10.22 H new ATOM 0 HB3 ALA A 93 -3.407 -6.947 -2.675 1.00 10.22 H new ATOM 1456 N LEU A 94 -4.457 -7.729 -5.120 1.00 40.24 N ATOM 1457 CA LEU A 94 -5.418 -7.415 -6.172 1.00 11.41 C ATOM 1458 C LEU A 94 -5.743 -8.653 -7.000 1.00 71.35 C ATOM 1459 O LEU A 94 -6.906 -9.035 -7.137 1.00 54.51 O ATOM 1460 CB LEU A 94 -4.870 -6.310 -7.078 1.00 31.53 C ATOM 1461 CG LEU A 94 -4.935 -4.889 -6.518 1.00 25.14 C ATOM 1462 CD1 LEU A 94 -6.339 -4.571 -6.028 1.00 22.52 C ATOM 1463 CD2 LEU A 94 -3.923 -4.712 -5.394 1.00 72.24 C ATOM 0 H LEU A 94 -3.684 -7.068 -5.044 1.00 40.24 H new ATOM 0 HA LEU A 94 -6.336 -7.066 -5.699 1.00 11.41 H new ATOM 0 HB2 LEU A 94 -3.830 -6.540 -7.310 1.00 31.53 H new ATOM 0 HB3 LEU A 94 -5.419 -6.334 -8.019 1.00 31.53 H new ATOM 0 HG LEU A 94 -4.686 -4.192 -7.318 1.00 25.14 H new ATOM 0 HD11 LEU A 94 -6.365 -3.555 -5.633 1.00 22.52 H new ATOM 0 HD12 LEU A 94 -7.042 -4.656 -6.857 1.00 22.52 H new ATOM 0 HD13 LEU A 94 -6.618 -5.273 -5.242 1.00 22.52 H new ATOM 0 HD21 LEU A 94 -3.983 -3.695 -5.007 1.00 72.24 H new ATOM 0 HD22 LEU A 94 -4.142 -5.418 -4.593 1.00 72.24 H new ATOM 0 HD23 LEU A 94 -2.919 -4.896 -5.776 1.00 72.24 H new ATOM 1475 N LEU A 95 -4.708 -9.279 -7.550 1.00 32.20 N ATOM 1476 CA LEU A 95 -4.883 -10.477 -8.364 1.00 23.33 C ATOM 1477 C LEU A 95 -5.644 -11.552 -7.594 1.00 61.12 C ATOM 1478 O LEU A 95 -6.457 -12.280 -8.163 1.00 74.23 O ATOM 1479 CB LEU A 95 -3.523 -11.019 -8.808 1.00 3.41 C ATOM 1480 CG LEU A 95 -3.064 -10.612 -10.209 1.00 25.14 C ATOM 1481 CD1 LEU A 95 -1.545 -10.550 -10.276 1.00 15.24 C ATOM 1482 CD2 LEU A 95 -3.606 -11.580 -11.250 1.00 22.53 C ATOM 0 H LEU A 95 -3.739 -8.977 -7.447 1.00 32.20 H new ATOM 0 HA LEU A 95 -5.465 -10.206 -9.245 1.00 23.33 H new ATOM 0 HB2 LEU A 95 -2.771 -10.690 -8.091 1.00 3.41 H new ATOM 0 HB3 LEU A 95 -3.554 -12.107 -8.759 1.00 3.41 H new ATOM 0 HG LEU A 95 -3.458 -9.619 -10.425 1.00 25.14 H new ATOM 0 HD11 LEU A 95 -1.237 -10.259 -11.280 1.00 15.24 H new ATOM 0 HD12 LEU A 95 -1.179 -9.817 -9.557 1.00 15.24 H new ATOM 0 HD13 LEU A 95 -1.130 -11.530 -10.039 1.00 15.24 H new ATOM 0 HD21 LEU A 95 -3.269 -11.275 -12.241 1.00 22.53 H new ATOM 0 HD22 LEU A 95 -3.242 -12.585 -11.037 1.00 22.53 H new ATOM 0 HD23 LEU A 95 -4.696 -11.575 -11.219 1.00 22.53 H new ATOM 1494 N LYS A 96 -5.376 -11.645 -6.296 1.00 40.31 N ATOM 1495 CA LYS A 96 -6.037 -12.628 -5.446 1.00 53.51 C ATOM 1496 C LYS A 96 -7.447 -12.172 -5.083 1.00 73.35 C ATOM 1497 O LYS A 96 -8.242 -12.945 -4.548 1.00 31.21 O ATOM 1498 CB LYS A 96 -5.222 -12.861 -4.172 1.00 71.52 C ATOM 1499 CG LYS A 96 -3.888 -13.543 -4.421 1.00 4.13 C ATOM 1500 CD LYS A 96 -4.059 -14.839 -5.195 1.00 20.11 C ATOM 1501 CE LYS A 96 -3.845 -14.630 -6.686 1.00 63.12 C ATOM 1502 NZ LYS A 96 -3.025 -15.718 -7.287 1.00 25.34 N ATOM 0 H LYS A 96 -4.705 -11.051 -5.809 1.00 40.31 H new ATOM 0 HA LYS A 96 -6.107 -13.563 -6.001 1.00 53.51 H new ATOM 0 HB2 LYS A 96 -5.045 -11.903 -3.683 1.00 71.52 H new ATOM 0 HB3 LYS A 96 -5.808 -13.468 -3.482 1.00 71.52 H new ATOM 0 HG2 LYS A 96 -3.233 -12.871 -4.975 1.00 4.13 H new ATOM 0 HG3 LYS A 96 -3.400 -13.749 -3.468 1.00 4.13 H new ATOM 0 HD2 LYS A 96 -3.351 -15.581 -4.825 1.00 20.11 H new ATOM 0 HD3 LYS A 96 -5.058 -15.238 -5.022 1.00 20.11 H new ATOM 0 HE2 LYS A 96 -4.811 -14.584 -7.188 1.00 63.12 H new ATOM 0 HE3 LYS A 96 -3.353 -13.671 -6.851 1.00 63.12 H new ATOM 0 HZ1 LYS A 96 -2.902 -15.539 -8.304 1.00 25.34 H new ATOM 0 HZ2 LYS A 96 -2.094 -15.746 -6.825 1.00 25.34 H new ATOM 0 HZ3 LYS A 96 -3.506 -16.630 -7.152 1.00 25.34 H new ATOM 1516 N LYS A 97 -7.752 -10.913 -5.380 1.00 32.52 N ATOM 1517 CA LYS A 97 -9.067 -10.355 -5.088 1.00 72.20 C ATOM 1518 C LYS A 97 -10.002 -10.511 -6.283 1.00 60.32 C ATOM 1519 O LYS A 97 -11.139 -10.037 -6.261 1.00 63.43 O ATOM 1520 CB LYS A 97 -8.944 -8.877 -4.713 1.00 14.32 C ATOM 1521 CG LYS A 97 -8.383 -8.647 -3.320 1.00 65.14 C ATOM 1522 CD LYS A 97 -9.169 -9.412 -2.269 1.00 24.02 C ATOM 1523 CE LYS A 97 -8.382 -10.602 -1.741 1.00 72.45 C ATOM 1524 NZ LYS A 97 -8.977 -11.150 -0.491 1.00 73.53 N ATOM 0 H LYS A 97 -7.106 -10.260 -5.823 1.00 32.52 H new ATOM 0 HA LYS A 97 -9.488 -10.904 -4.246 1.00 72.20 H new ATOM 0 HB2 LYS A 97 -8.303 -8.378 -5.440 1.00 14.32 H new ATOM 0 HB3 LYS A 97 -9.927 -8.411 -4.781 1.00 14.32 H new ATOM 0 HG2 LYS A 97 -7.338 -8.957 -3.292 1.00 65.14 H new ATOM 0 HG3 LYS A 97 -8.406 -7.582 -3.089 1.00 65.14 H new ATOM 0 HD2 LYS A 97 -9.420 -8.745 -1.444 1.00 24.02 H new ATOM 0 HD3 LYS A 97 -10.110 -9.758 -2.697 1.00 24.02 H new ATOM 0 HE2 LYS A 97 -8.351 -11.383 -2.501 1.00 72.45 H new ATOM 0 HE3 LYS A 97 -7.352 -10.301 -1.551 1.00 72.45 H new ATOM 0 HZ1 LYS A 97 -8.259 -11.157 0.261 1.00 73.53 H new ATOM 0 HZ2 LYS A 97 -9.779 -10.556 -0.199 1.00 73.53 H new ATOM 0 HZ3 LYS A 97 -9.309 -12.121 -0.661 1.00 73.53 H new ATOM 1538 N LEU A 98 -9.517 -11.179 -7.324 1.00 73.22 N ATOM 1539 CA LEU A 98 -10.310 -11.399 -8.529 1.00 34.54 C ATOM 1540 C LEU A 98 -10.716 -12.865 -8.653 1.00 42.43 C ATOM 1541 O LEU A 98 -10.441 -13.673 -7.766 1.00 44.23 O ATOM 1542 CB LEU A 98 -9.523 -10.969 -9.767 1.00 60.13 C ATOM 1543 CG LEU A 98 -8.447 -9.906 -9.543 1.00 15.40 C ATOM 1544 CD1 LEU A 98 -7.642 -9.685 -10.814 1.00 3.12 C ATOM 1545 CD2 LEU A 98 -9.076 -8.601 -9.075 1.00 35.41 C ATOM 0 H LEU A 98 -8.579 -11.578 -7.358 1.00 73.22 H new ATOM 0 HA LEU A 98 -11.215 -10.796 -8.454 1.00 34.54 H new ATOM 0 HB2 LEU A 98 -9.049 -11.852 -10.196 1.00 60.13 H new ATOM 0 HB3 LEU A 98 -10.228 -10.593 -10.508 1.00 60.13 H new ATOM 0 HG LEU A 98 -7.770 -10.260 -8.765 1.00 15.40 H new ATOM 0 HD11 LEU A 98 -6.881 -8.925 -10.635 1.00 3.12 H new ATOM 0 HD12 LEU A 98 -7.161 -10.618 -11.107 1.00 3.12 H new ATOM 0 HD13 LEU A 98 -8.306 -9.353 -11.612 1.00 3.12 H new ATOM 0 HD21 LEU A 98 -8.296 -7.856 -8.921 1.00 35.41 H new ATOM 0 HD22 LEU A 98 -9.775 -8.243 -9.830 1.00 35.41 H new ATOM 0 HD23 LEU A 98 -9.608 -8.769 -8.139 1.00 35.41 H new ATOM 1557 N ASP A 99 -11.369 -13.200 -9.760 1.00 61.13 N ATOM 1558 CA ASP A 99 -11.809 -14.569 -10.003 1.00 53.12 C ATOM 1559 C ASP A 99 -11.430 -15.020 -11.410 1.00 61.31 C ATOM 1560 O ASP A 99 -12.079 -14.651 -12.388 1.00 0.03 O ATOM 1561 CB ASP A 99 -13.322 -14.683 -9.808 1.00 50.23 C ATOM 1562 CG ASP A 99 -13.690 -15.574 -8.638 1.00 5.41 C ATOM 1563 OD1 ASP A 99 -13.285 -15.256 -7.500 1.00 3.22 O ATOM 1564 OD2 ASP A 99 -14.383 -16.588 -8.860 1.00 24.22 O ATOM 0 H ASP A 99 -11.605 -12.543 -10.503 1.00 61.13 H new ATOM 0 HA ASP A 99 -11.308 -15.218 -9.285 1.00 53.12 H new ATOM 0 HB2 ASP A 99 -13.741 -13.689 -9.650 1.00 50.23 H new ATOM 0 HB3 ASP A 99 -13.774 -15.078 -10.718 1.00 50.23 H new ATOM 1569 N GLY A 100 -10.373 -15.821 -11.504 1.00 64.25 N ATOM 1570 CA GLY A 100 -9.924 -16.309 -12.796 1.00 12.33 C ATOM 1571 C GLY A 100 -8.707 -15.563 -13.306 1.00 72.01 C ATOM 1572 O GLY A 100 -8.064 -15.993 -14.263 1.00 3.10 O ATOM 0 H GLY A 100 -9.820 -16.141 -10.709 1.00 64.25 H new ATOM 0 HA2 GLY A 100 -9.690 -17.371 -12.719 1.00 12.33 H new ATOM 0 HA3 GLY A 100 -10.734 -16.213 -13.519 1.00 12.33 H new ATOM 1576 N ALA A 101 -8.392 -14.441 -12.667 1.00 65.23 N ATOM 1577 CA ALA A 101 -7.244 -13.634 -13.062 1.00 63.32 C ATOM 1578 C ALA A 101 -5.983 -14.486 -13.166 1.00 33.41 C ATOM 1579 O ALA A 101 -5.728 -15.343 -12.318 1.00 50.43 O ATOM 1580 CB ALA A 101 -7.034 -12.496 -12.075 1.00 22.04 C ATOM 0 H ALA A 101 -8.916 -14.070 -11.874 1.00 65.23 H new ATOM 0 HA ALA A 101 -7.449 -13.213 -14.046 1.00 63.32 H new ATOM 0 HB1 ALA A 101 -6.173 -11.902 -12.383 1.00 22.04 H new ATOM 0 HB2 ALA A 101 -7.922 -11.864 -12.054 1.00 22.04 H new ATOM 0 HB3 ALA A 101 -6.856 -12.905 -11.081 1.00 22.04 H new ATOM 1586 N THR A 102 -5.197 -14.247 -14.211 1.00 20.30 N ATOM 1587 CA THR A 102 -3.964 -14.994 -14.427 1.00 11.15 C ATOM 1588 C THR A 102 -2.790 -14.055 -14.679 1.00 23.25 C ATOM 1589 O THR A 102 -2.890 -12.848 -14.461 1.00 20.23 O ATOM 1590 CB THR A 102 -4.095 -15.964 -15.616 1.00 34.13 C ATOM 1591 OG1 THR A 102 -4.108 -15.232 -16.846 1.00 52.12 O ATOM 1592 CG2 THR A 102 -5.366 -16.793 -15.500 1.00 24.21 C ATOM 0 H THR A 102 -5.393 -13.542 -14.921 1.00 20.30 H new ATOM 0 HA THR A 102 -3.779 -15.568 -13.519 1.00 11.15 H new ATOM 0 HB THR A 102 -3.238 -16.637 -15.604 1.00 34.13 H new ATOM 0 HG1 THR A 102 -4.190 -15.856 -17.597 1.00 52.12 H new ATOM 0 HG21 THR A 102 -5.437 -17.471 -16.351 1.00 24.21 H new ATOM 0 HG22 THR A 102 -5.340 -17.371 -14.576 1.00 24.21 H new ATOM 0 HG23 THR A 102 -6.232 -16.131 -15.490 1.00 24.21 H new ATOM 1600 N ALA A 103 -1.677 -14.617 -15.139 1.00 72.43 N ATOM 1601 CA ALA A 103 -0.484 -13.829 -15.424 1.00 33.44 C ATOM 1602 C ALA A 103 -0.519 -13.274 -16.843 1.00 64.25 C ATOM 1603 O ALA A 103 0.495 -12.808 -17.363 1.00 43.22 O ATOM 1604 CB ALA A 103 0.766 -14.670 -15.214 1.00 22.42 C ATOM 0 H ALA A 103 -1.577 -15.615 -15.322 1.00 72.43 H new ATOM 0 HA ALA A 103 -0.461 -12.986 -14.733 1.00 33.44 H new ATOM 0 HB1 ALA A 103 1.649 -14.069 -15.430 1.00 22.42 H new ATOM 0 HB2 ALA A 103 0.805 -15.013 -14.180 1.00 22.42 H new ATOM 0 HB3 ALA A 103 0.741 -15.532 -15.881 1.00 22.42 H new ATOM 1610 N VAL A 104 -1.691 -13.328 -17.467 1.00 34.21 N ATOM 1611 CA VAL A 104 -1.858 -12.830 -18.827 1.00 62.21 C ATOM 1612 C VAL A 104 -1.988 -11.311 -18.844 1.00 65.32 C ATOM 1613 O VAL A 104 -2.133 -10.703 -19.904 1.00 1.52 O ATOM 1614 CB VAL A 104 -3.096 -13.448 -19.503 1.00 51.14 C ATOM 1615 CG1 VAL A 104 -4.372 -12.893 -18.889 1.00 74.35 C ATOM 1616 CG2 VAL A 104 -3.064 -13.198 -21.004 1.00 2.44 C ATOM 0 H VAL A 104 -2.540 -13.712 -17.052 1.00 34.21 H new ATOM 0 HA VAL A 104 -0.967 -13.122 -19.382 1.00 62.21 H new ATOM 0 HB VAL A 104 -3.080 -14.525 -19.337 1.00 51.14 H new ATOM 0 HG11 VAL A 104 -5.236 -13.341 -19.379 1.00 74.35 H new ATOM 0 HG12 VAL A 104 -4.396 -13.128 -17.825 1.00 74.35 H new ATOM 0 HG13 VAL A 104 -4.399 -11.812 -19.022 1.00 74.35 H new ATOM 0 HG21 VAL A 104 -3.946 -13.642 -21.466 1.00 2.44 H new ATOM 0 HG22 VAL A 104 -3.056 -12.125 -21.194 1.00 2.44 H new ATOM 0 HG23 VAL A 104 -2.167 -13.648 -21.429 1.00 2.44 H new ATOM 1626 N ALA A 105 -1.933 -10.705 -17.663 1.00 14.01 N ATOM 1627 CA ALA A 105 -2.042 -9.256 -17.542 1.00 33.50 C ATOM 1628 C ALA A 105 -0.942 -8.555 -18.331 1.00 70.45 C ATOM 1629 O ALA A 105 -0.025 -9.199 -18.844 1.00 1.24 O ATOM 1630 CB ALA A 105 -1.989 -8.844 -16.078 1.00 54.45 C ATOM 0 H ALA A 105 -1.814 -11.195 -16.776 1.00 14.01 H new ATOM 0 HA ALA A 105 -3.002 -8.952 -17.959 1.00 33.50 H new ATOM 0 HB1 ALA A 105 -2.071 -7.760 -16.002 1.00 54.45 H new ATOM 0 HB2 ALA A 105 -2.814 -9.309 -15.539 1.00 54.45 H new ATOM 0 HB3 ALA A 105 -1.043 -9.167 -15.643 1.00 54.45 H new ATOM 1636 N LEU A 106 -1.039 -7.234 -18.427 1.00 72.11 N ATOM 1637 CA LEU A 106 -0.052 -6.445 -19.155 1.00 42.05 C ATOM 1638 C LEU A 106 0.270 -5.153 -18.411 1.00 22.54 C ATOM 1639 O LEU A 106 -0.595 -4.571 -17.758 1.00 1.23 O ATOM 1640 CB LEU A 106 -0.563 -6.123 -20.561 1.00 14.34 C ATOM 1641 CG LEU A 106 0.471 -6.195 -21.684 1.00 50.15 C ATOM 1642 CD1 LEU A 106 1.526 -5.114 -21.509 1.00 23.02 C ATOM 1643 CD2 LEU A 106 1.117 -7.572 -21.727 1.00 2.11 C ATOM 0 H LEU A 106 -1.792 -6.686 -18.010 1.00 72.11 H new ATOM 0 HA LEU A 106 0.861 -7.035 -19.233 1.00 42.05 H new ATOM 0 HB2 LEU A 106 -1.375 -6.811 -20.797 1.00 14.34 H new ATOM 0 HB3 LEU A 106 -0.989 -5.120 -20.550 1.00 14.34 H new ATOM 0 HG LEU A 106 -0.039 -6.025 -22.632 1.00 50.15 H new ATOM 0 HD11 LEU A 106 2.253 -5.181 -22.318 1.00 23.02 H new ATOM 0 HD12 LEU A 106 1.050 -4.134 -21.530 1.00 23.02 H new ATOM 0 HD13 LEU A 106 2.032 -5.251 -20.553 1.00 23.02 H new ATOM 0 HD21 LEU A 106 1.850 -7.605 -22.533 1.00 2.11 H new ATOM 0 HD22 LEU A 106 1.613 -7.771 -20.777 1.00 2.11 H new ATOM 0 HD23 LEU A 106 0.351 -8.328 -21.902 1.00 2.11 H new ATOM 1655 N GLU A 107 1.520 -4.711 -18.515 1.00 75.54 N ATOM 1656 CA GLU A 107 1.954 -3.488 -17.852 1.00 43.33 C ATOM 1657 C GLU A 107 3.005 -2.760 -18.687 1.00 35.31 C ATOM 1658 O GLU A 107 4.190 -3.085 -18.632 1.00 62.11 O ATOM 1659 CB GLU A 107 2.519 -3.805 -16.466 1.00 61.51 C ATOM 1660 CG GLU A 107 3.579 -4.894 -16.476 1.00 33.54 C ATOM 1661 CD GLU A 107 4.928 -4.400 -15.992 1.00 41.45 C ATOM 1662 OE1 GLU A 107 5.115 -4.290 -14.763 1.00 22.32 O ATOM 1663 OE2 GLU A 107 5.797 -4.122 -16.845 1.00 44.12 O ATOM 0 H GLU A 107 2.249 -5.182 -19.052 1.00 75.54 H new ATOM 0 HA GLU A 107 1.086 -2.837 -17.743 1.00 43.33 H new ATOM 0 HB2 GLU A 107 2.947 -2.897 -16.041 1.00 61.51 H new ATOM 0 HB3 GLU A 107 1.703 -4.110 -15.811 1.00 61.51 H new ATOM 0 HG2 GLU A 107 3.251 -5.720 -15.845 1.00 33.54 H new ATOM 0 HG3 GLU A 107 3.682 -5.286 -17.488 1.00 33.54 H new ATOM 1670 N ALA A 108 2.559 -1.775 -19.459 1.00 42.15 N ATOM 1671 CA ALA A 108 3.459 -1.000 -20.304 1.00 65.35 C ATOM 1672 C ALA A 108 3.038 0.464 -20.358 1.00 50.20 C ATOM 1673 O ALA A 108 1.847 0.779 -20.347 1.00 24.14 O ATOM 1674 CB ALA A 108 3.505 -1.590 -21.706 1.00 45.14 C ATOM 0 H ALA A 108 1.580 -1.495 -19.517 1.00 42.15 H new ATOM 0 HA ALA A 108 4.457 -1.047 -19.868 1.00 65.35 H new ATOM 0 HB1 ALA A 108 4.181 -1.001 -22.326 1.00 45.14 H new ATOM 0 HB2 ALA A 108 3.861 -2.619 -21.656 1.00 45.14 H new ATOM 0 HB3 ALA A 108 2.506 -1.573 -22.141 1.00 45.14 H new ATOM 1680 N HIS A 109 4.021 1.357 -20.416 1.00 25.42 N ATOM 1681 CA HIS A 109 3.752 2.789 -20.471 1.00 12.00 C ATOM 1682 C HIS A 109 3.927 3.321 -21.890 1.00 63.43 C ATOM 1683 O HIS A 109 5.049 3.530 -22.350 1.00 4.55 O ATOM 1684 CB HIS A 109 4.678 3.541 -19.514 1.00 74.12 C ATOM 1685 CG HIS A 109 4.687 5.023 -19.730 1.00 75.14 C ATOM 1686 ND1 HIS A 109 5.794 5.811 -19.497 1.00 32.21 N ATOM 1687 CD2 HIS A 109 3.715 5.860 -20.163 1.00 1.41 C ATOM 1688 CE1 HIS A 109 5.503 7.069 -19.775 1.00 14.12 C ATOM 1689 NE2 HIS A 109 4.247 7.126 -20.182 1.00 3.24 N ATOM 0 H HIS A 109 5.011 1.114 -20.426 1.00 25.42 H new ATOM 0 HA HIS A 109 2.718 2.951 -20.166 1.00 12.00 H new ATOM 0 HB2 HIS A 109 4.373 3.333 -18.488 1.00 74.12 H new ATOM 0 HB3 HIS A 109 5.693 3.159 -19.628 1.00 74.12 H new ATOM 0 HD2 HIS A 109 2.709 5.584 -20.442 1.00 1.41 H new ATOM 0 HE1 HIS A 109 6.177 7.908 -19.685 1.00 14.12 H new ATOM 0 HE2 HIS A 109 3.753 7.973 -20.464 1.00 3.24 H new ATOM 1697 N GLU A 110 2.811 3.535 -22.579 1.00 54.11 N ATOM 1698 CA GLU A 110 2.843 4.041 -23.947 1.00 34.55 C ATOM 1699 C GLU A 110 1.483 4.605 -24.350 1.00 23.31 C ATOM 1700 O GLU A 110 0.447 4.174 -23.846 1.00 74.10 O ATOM 1701 CB GLU A 110 3.254 2.930 -24.915 1.00 32.40 C ATOM 1702 CG GLU A 110 2.584 1.596 -24.631 1.00 73.30 C ATOM 1703 CD GLU A 110 2.884 0.554 -25.691 1.00 44.34 C ATOM 1704 OE1 GLU A 110 2.142 0.496 -26.694 1.00 31.34 O ATOM 1705 OE2 GLU A 110 3.863 -0.202 -25.518 1.00 61.04 O ATOM 0 H GLU A 110 1.874 3.366 -22.213 1.00 54.11 H new ATOM 0 HA GLU A 110 3.578 4.844 -23.994 1.00 34.55 H new ATOM 0 HB2 GLU A 110 3.013 3.239 -25.932 1.00 32.40 H new ATOM 0 HB3 GLU A 110 4.335 2.801 -24.869 1.00 32.40 H new ATOM 0 HG2 GLU A 110 2.915 1.227 -23.660 1.00 73.30 H new ATOM 0 HG3 GLU A 110 1.506 1.742 -24.566 1.00 73.30 H new ATOM 1712 N MET A 111 1.498 5.572 -25.262 1.00 34.53 N ATOM 1713 CA MET A 111 0.266 6.195 -25.734 1.00 24.45 C ATOM 1714 C MET A 111 -0.444 5.299 -26.744 1.00 22.14 C ATOM 1715 O MET A 111 -1.659 5.381 -26.914 1.00 15.15 O ATOM 1716 CB MET A 111 0.568 7.556 -26.364 1.00 75.53 C ATOM 1717 CG MET A 111 -0.617 8.159 -27.101 1.00 40.23 C ATOM 1718 SD MET A 111 -0.544 7.880 -28.881 1.00 64.40 S ATOM 1719 CE MET A 111 -2.283 7.935 -29.304 1.00 71.44 C ATOM 0 H MET A 111 2.348 5.941 -25.688 1.00 34.53 H new ATOM 0 HA MET A 111 -0.392 6.337 -24.877 1.00 24.45 H new ATOM 0 HB2 MET A 111 0.889 8.246 -25.583 1.00 75.53 H new ATOM 0 HB3 MET A 111 1.402 7.449 -27.058 1.00 75.53 H new ATOM 0 HG2 MET A 111 -1.540 7.732 -26.708 1.00 40.23 H new ATOM 0 HG3 MET A 111 -0.654 9.231 -26.906 1.00 40.23 H new ATOM 0 HE1 MET A 111 -2.402 7.778 -30.376 1.00 71.44 H new ATOM 0 HE2 MET A 111 -2.814 7.153 -28.762 1.00 71.44 H new ATOM 0 HE3 MET A 111 -2.693 8.908 -29.032 1.00 71.44 H new ATOM 1729 N GLY A 112 0.324 4.444 -27.412 1.00 71.52 N ATOM 1730 CA GLY A 112 -0.250 3.546 -28.397 1.00 61.53 C ATOM 1731 C GLY A 112 -1.041 2.419 -27.763 1.00 74.13 C ATOM 1732 O GLY A 112 -1.786 1.714 -28.445 1.00 63.10 O ATOM 0 H GLY A 112 1.333 4.357 -27.289 1.00 71.52 H new ATOM 0 HA2 GLY A 112 -0.900 4.112 -29.064 1.00 61.53 H new ATOM 0 HA3 GLY A 112 0.548 3.126 -29.010 1.00 61.53 H new ATOM 1736 N ASP A 113 -0.880 2.247 -26.456 1.00 2.40 N ATOM 1737 CA ASP A 113 -1.585 1.198 -25.730 1.00 21.44 C ATOM 1738 C ASP A 113 -3.088 1.461 -25.717 1.00 65.51 C ATOM 1739 O ASP A 113 -3.892 0.528 -25.745 1.00 10.21 O ATOM 1740 CB ASP A 113 -1.060 1.099 -24.296 1.00 61.45 C ATOM 1741 CG ASP A 113 -0.278 -0.177 -24.053 1.00 62.12 C ATOM 1742 OD1 ASP A 113 -0.636 -1.215 -24.649 1.00 4.42 O ATOM 1743 OD2 ASP A 113 0.692 -0.138 -23.266 1.00 74.35 O ATOM 0 H ASP A 113 -0.267 2.821 -25.877 1.00 2.40 H new ATOM 0 HA ASP A 113 -1.404 0.253 -26.241 1.00 21.44 H new ATOM 0 HB2 ASP A 113 -0.423 1.958 -24.085 1.00 61.45 H new ATOM 0 HB3 ASP A 113 -1.898 1.146 -23.601 1.00 61.45 H new ATOM 1748 N LEU A 114 -3.459 2.735 -25.674 1.00 54.11 N ATOM 1749 CA LEU A 114 -4.866 3.121 -25.657 1.00 10.53 C ATOM 1750 C LEU A 114 -5.300 3.658 -27.017 1.00 73.41 C ATOM 1751 O LEU A 114 -6.417 4.150 -27.173 1.00 72.05 O ATOM 1752 CB LEU A 114 -5.112 4.177 -24.578 1.00 0.35 C ATOM 1753 CG LEU A 114 -4.065 5.287 -24.473 1.00 71.02 C ATOM 1754 CD1 LEU A 114 -4.734 6.630 -24.225 1.00 42.24 C ATOM 1755 CD2 LEU A 114 -3.065 4.975 -23.369 1.00 75.01 C ATOM 0 H LEU A 114 -2.806 3.518 -25.650 1.00 54.11 H new ATOM 0 HA LEU A 114 -5.458 2.234 -25.431 1.00 10.53 H new ATOM 0 HB2 LEU A 114 -6.083 4.637 -24.763 1.00 0.35 H new ATOM 0 HB3 LEU A 114 -5.176 3.674 -23.613 1.00 0.35 H new ATOM 0 HG LEU A 114 -3.526 5.342 -25.419 1.00 71.02 H new ATOM 0 HD11 LEU A 114 -3.974 7.408 -24.153 1.00 42.24 H new ATOM 0 HD12 LEU A 114 -5.409 6.858 -25.050 1.00 42.24 H new ATOM 0 HD13 LEU A 114 -5.299 6.588 -23.294 1.00 42.24 H new ATOM 0 HD21 LEU A 114 -2.328 5.776 -23.309 1.00 75.01 H new ATOM 0 HD22 LEU A 114 -3.589 4.892 -22.417 1.00 75.01 H new ATOM 0 HD23 LEU A 114 -2.561 4.034 -23.590 1.00 75.01 H new ATOM 1767 N ALA A 115 -4.410 3.556 -27.999 1.00 13.22 N ATOM 1768 CA ALA A 115 -4.703 4.027 -29.347 1.00 31.11 C ATOM 1769 C ALA A 115 -5.808 3.196 -29.991 1.00 11.15 C ATOM 1770 O ALA A 115 -6.878 3.701 -30.333 1.00 64.42 O ATOM 1771 CB ALA A 115 -3.446 3.990 -30.203 1.00 40.53 C ATOM 0 H ALA A 115 -3.480 3.151 -27.886 1.00 13.22 H new ATOM 0 HA ALA A 115 -5.053 5.057 -29.278 1.00 31.11 H new ATOM 0 HB1 ALA A 115 -3.679 4.344 -31.207 1.00 40.53 H new ATOM 0 HB2 ALA A 115 -2.685 4.632 -29.759 1.00 40.53 H new ATOM 0 HB3 ALA A 115 -3.072 2.967 -30.257 1.00 40.53 H new ATOM 1777 N PRO A 116 -5.546 1.892 -30.160 1.00 72.34 N ATOM 1778 CA PRO A 116 -6.507 0.963 -30.764 1.00 42.52 C ATOM 1779 C PRO A 116 -7.709 0.705 -29.862 1.00 42.13 C ATOM 1780 O PRO A 116 -8.655 0.020 -30.253 1.00 11.02 O ATOM 1781 CB PRO A 116 -5.692 -0.319 -30.950 1.00 31.01 C ATOM 1782 CG PRO A 116 -4.619 -0.238 -29.920 1.00 23.50 C ATOM 1783 CD PRO A 116 -4.292 1.222 -29.775 1.00 54.34 C ATOM 0 HA PRO A 116 -6.927 1.355 -31.690 1.00 42.52 H new ATOM 0 HB2 PRO A 116 -6.310 -1.205 -30.809 1.00 31.01 H new ATOM 0 HB3 PRO A 116 -5.273 -0.380 -31.954 1.00 31.01 H new ATOM 0 HG2 PRO A 116 -4.956 -0.658 -28.972 1.00 23.50 H new ATOM 0 HG3 PRO A 116 -3.741 -0.806 -30.226 1.00 23.50 H new ATOM 0 HD2 PRO A 116 -4.001 1.469 -28.754 1.00 54.34 H new ATOM 0 HD3 PRO A 116 -3.465 1.515 -30.422 1.00 54.34 H new ATOM 1791 N LEU A 117 -7.666 1.257 -28.655 1.00 1.22 N ATOM 1792 CA LEU A 117 -8.753 1.087 -27.697 1.00 23.14 C ATOM 1793 C LEU A 117 -9.496 -0.222 -27.943 1.00 62.21 C ATOM 1794 O LEU A 117 -9.088 -1.279 -27.462 1.00 12.10 O ATOM 1795 CB LEU A 117 -9.726 2.264 -27.785 1.00 70.40 C ATOM 1796 CG LEU A 117 -9.813 2.962 -29.143 1.00 35.24 C ATOM 1797 CD1 LEU A 117 -11.258 3.038 -29.612 1.00 31.33 C ATOM 1798 CD2 LEU A 117 -9.201 4.353 -29.067 1.00 75.02 C ATOM 0 H LEU A 117 -6.890 1.826 -28.316 1.00 1.22 H new ATOM 0 HA LEU A 117 -8.321 1.055 -26.697 1.00 23.14 H new ATOM 0 HB2 LEU A 117 -10.721 1.908 -27.517 1.00 70.40 H new ATOM 0 HB3 LEU A 117 -9.440 3.003 -27.037 1.00 70.40 H new ATOM 0 HG LEU A 117 -9.247 2.377 -29.868 1.00 35.24 H new ATOM 0 HD11 LEU A 117 -11.301 3.538 -30.580 1.00 31.33 H new ATOM 0 HD12 LEU A 117 -11.664 2.031 -29.706 1.00 31.33 H new ATOM 0 HD13 LEU A 117 -11.847 3.600 -28.887 1.00 31.33 H new ATOM 0 HD21 LEU A 117 -9.271 4.835 -30.042 1.00 75.02 H new ATOM 0 HD22 LEU A 117 -9.739 4.947 -28.328 1.00 75.02 H new ATOM 0 HD23 LEU A 117 -8.154 4.274 -28.776 1.00 75.02 H new ATOM 1810 N ALA A 118 -10.587 -0.144 -28.698 1.00 31.04 N ATOM 1811 CA ALA A 118 -11.385 -1.323 -29.012 1.00 4.02 C ATOM 1812 C ALA A 118 -10.958 -1.936 -30.341 1.00 52.25 C ATOM 1813 O ALA A 118 -11.130 -3.134 -30.567 1.00 75.31 O ATOM 1814 CB ALA A 118 -12.864 -0.967 -29.043 1.00 5.23 C ATOM 0 H ALA A 118 -10.938 0.723 -29.104 1.00 31.04 H new ATOM 0 HA ALA A 118 -11.218 -2.063 -28.230 1.00 4.02 H new ATOM 0 HB1 ALA A 118 -13.448 -1.857 -29.279 1.00 5.23 H new ATOM 0 HB2 ALA A 118 -13.166 -0.582 -28.069 1.00 5.23 H new ATOM 0 HB3 ALA A 118 -13.039 -0.206 -29.804 1.00 5.23 H new TER 1820 ALA A 118