USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 773 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 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.0697 USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.61) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0737 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= 0.168 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0703 X(o=-0.07,f=-0.52) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0589 X(o=-0.059,f=-0.46) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.007 USER MOD Single : A 61 THR OG1 : rot 167:sc= 0.119 USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= -0.0981 (180deg=-0.797) USER MOD Single : A 70 ASN : amide:sc= -0.25 K(o=-0.25,f=-3.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0891 USER MOD Single : A 72 SER OG : rot 180:sc= -0.175 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.362) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N HIS A 14 0.343 -0.410 -6.822 1.00 24.42 N ATOM 28 CA HIS A 14 1.197 -0.888 -7.904 1.00 53.53 C ATOM 29 C HIS A 14 0.409 -1.005 -9.206 1.00 11.43 C ATOM 30 O HIS A 14 -0.696 -1.547 -9.226 1.00 44.11 O ATOM 31 CB HIS A 14 1.808 -2.241 -7.541 1.00 61.02 C ATOM 32 CG HIS A 14 0.813 -3.360 -7.517 1.00 24.53 C ATOM 33 ND1 HIS A 14 0.524 -4.135 -8.621 1.00 4.34 N ATOM 34 CD2 HIS A 14 0.040 -3.836 -6.513 1.00 10.33 C ATOM 35 CE1 HIS A 14 -0.385 -5.037 -8.297 1.00 51.51 C ATOM 36 NE2 HIS A 14 -0.696 -4.877 -7.023 1.00 43.23 N ATOM 0 HA HIS A 14 1.999 -0.164 -8.048 1.00 53.53 H new ATOM 0 HB2 HIS A 14 2.594 -2.480 -8.258 1.00 61.02 H new ATOM 0 HB3 HIS A 14 2.282 -2.166 -6.562 1.00 61.02 H new ATOM 0 HD2 HIS A 14 0.008 -3.466 -5.499 1.00 10.33 H new ATOM 0 HE1 HIS A 14 -0.803 -5.779 -8.961 1.00 51.51 H new ATOM 0 HE2 HIS A 14 -1.373 -5.436 -6.503 1.00 43.23 H new ATOM 44 N GLN A 15 0.985 -0.492 -10.288 1.00 54.14 N ATOM 45 CA GLN A 15 0.335 -0.538 -11.593 1.00 31.11 C ATOM 46 C GLN A 15 1.300 -1.034 -12.664 1.00 70.54 C ATOM 47 O GLN A 15 2.409 -0.518 -12.804 1.00 25.52 O ATOM 48 CB GLN A 15 -0.197 0.845 -11.970 1.00 53.44 C ATOM 49 CG GLN A 15 0.818 1.961 -11.779 1.00 34.24 C ATOM 50 CD GLN A 15 0.393 2.960 -10.721 1.00 2.42 C ATOM 51 OE1 GLN A 15 0.187 2.604 -9.560 1.00 62.13 O ATOM 52 NE2 GLN A 15 0.260 4.221 -11.117 1.00 20.14 N ATOM 0 H GLN A 15 1.899 -0.040 -10.287 1.00 54.14 H new ATOM 0 HA GLN A 15 -0.500 -1.236 -11.531 1.00 31.11 H new ATOM 0 HB2 GLN A 15 -0.517 0.830 -13.012 1.00 53.44 H new ATOM 0 HB3 GLN A 15 -1.080 1.062 -11.369 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.779 1.529 -11.501 1.00 34.24 H new ATOM 0 HG3 GLN A 15 0.964 2.480 -12.726 1.00 34.24 H new ATOM 0 HE21 GLN A 15 0.441 4.472 -12.089 1.00 20.14 H new ATOM 0 HE22 GLN A 15 -0.023 4.938 -10.449 1.00 20.14 H new ATOM 61 N THR A 16 0.871 -2.040 -13.421 1.00 32.45 N ATOM 62 CA THR A 16 1.697 -2.608 -14.479 1.00 10.25 C ATOM 63 C THR A 16 0.841 -3.100 -15.640 1.00 63.20 C ATOM 64 O THR A 16 -0.082 -3.893 -15.452 1.00 1.40 O ATOM 65 CB THR A 16 2.555 -3.776 -13.956 1.00 54.13 C ATOM 66 OG1 THR A 16 2.915 -3.547 -12.589 1.00 55.54 O ATOM 67 CG2 THR A 16 3.812 -3.942 -14.796 1.00 40.21 C ATOM 0 H THR A 16 -0.045 -2.478 -13.320 1.00 32.45 H new ATOM 0 HA THR A 16 2.355 -1.812 -14.828 1.00 10.25 H new ATOM 0 HB THR A 16 1.966 -4.690 -14.027 1.00 54.13 H new ATOM 0 HG1 THR A 16 3.459 -4.295 -12.264 1.00 55.54 H new ATOM 0 HG21 THR A 16 4.402 -4.772 -14.408 1.00 40.21 H new ATOM 0 HG22 THR A 16 3.534 -4.146 -15.830 1.00 40.21 H new ATOM 0 HG23 THR A 16 4.402 -3.026 -14.753 1.00 40.21 H new ATOM 75 N VAL A 17 1.154 -2.626 -16.842 1.00 31.30 N ATOM 76 CA VAL A 17 0.414 -3.020 -18.035 1.00 63.11 C ATOM 77 C VAL A 17 1.266 -3.898 -18.945 1.00 2.00 C ATOM 78 O VAL A 17 2.488 -3.756 -18.996 1.00 2.22 O ATOM 79 CB VAL A 17 -0.066 -1.791 -18.829 1.00 41.31 C ATOM 80 CG1 VAL A 17 -0.992 -2.213 -19.959 1.00 74.20 C ATOM 81 CG2 VAL A 17 -0.755 -0.797 -17.906 1.00 74.23 C ATOM 0 H VAL A 17 1.915 -1.969 -17.015 1.00 31.30 H new ATOM 0 HA VAL A 17 -0.454 -3.586 -17.697 1.00 63.11 H new ATOM 0 HB VAL A 17 0.803 -1.302 -19.268 1.00 41.31 H new ATOM 0 HG11 VAL A 17 -1.321 -1.331 -20.509 1.00 74.20 H new ATOM 0 HG12 VAL A 17 -0.460 -2.884 -20.634 1.00 74.20 H new ATOM 0 HG13 VAL A 17 -1.860 -2.727 -19.546 1.00 74.20 H new ATOM 0 HG21 VAL A 17 -1.088 0.065 -18.484 1.00 74.23 H new ATOM 0 HG22 VAL A 17 -1.616 -1.273 -17.436 1.00 74.23 H new ATOM 0 HG23 VAL A 17 -0.056 -0.470 -17.136 1.00 74.23 H new ATOM 91 N TYR A 18 0.613 -4.805 -19.663 1.00 24.35 N ATOM 92 CA TYR A 18 1.311 -5.709 -20.570 1.00 40.50 C ATOM 93 C TYR A 18 0.955 -5.404 -22.022 1.00 32.30 C ATOM 94 O TYR A 18 -0.220 -5.321 -22.381 1.00 62.52 O ATOM 95 CB TYR A 18 0.965 -7.162 -20.242 1.00 62.02 C ATOM 96 CG TYR A 18 1.045 -7.485 -18.767 1.00 75.53 C ATOM 97 CD1 TYR A 18 2.195 -8.038 -18.218 1.00 44.42 C ATOM 98 CD2 TYR A 18 -0.031 -7.240 -17.923 1.00 73.22 C ATOM 99 CE1 TYR A 18 2.272 -8.335 -16.871 1.00 63.44 C ATOM 100 CE2 TYR A 18 0.037 -7.533 -16.575 1.00 62.40 C ATOM 101 CZ TYR A 18 1.191 -8.081 -16.054 1.00 31.11 C ATOM 102 OH TYR A 18 1.263 -8.376 -14.712 1.00 14.03 O ATOM 0 H TYR A 18 -0.398 -4.934 -19.635 1.00 24.35 H new ATOM 0 HA TYR A 18 2.383 -5.560 -20.438 1.00 40.50 H new ATOM 0 HB2 TYR A 18 -0.043 -7.376 -20.598 1.00 62.02 H new ATOM 0 HB3 TYR A 18 1.642 -7.820 -20.787 1.00 62.02 H new ATOM 0 HD1 TYR A 18 3.043 -8.239 -18.855 1.00 44.42 H new ATOM 0 HD2 TYR A 18 -0.937 -6.813 -18.328 1.00 73.22 H new ATOM 0 HE1 TYR A 18 3.174 -8.764 -16.460 1.00 63.44 H new ATOM 0 HE2 TYR A 18 -0.808 -7.334 -15.933 1.00 62.40 H new ATOM 0 HH TYR A 18 0.418 -8.135 -14.278 1.00 14.03 H new ATOM 112 N VAL A 19 1.979 -5.239 -22.854 1.00 33.35 N ATOM 113 CA VAL A 19 1.776 -4.946 -24.267 1.00 52.02 C ATOM 114 C VAL A 19 2.587 -5.891 -25.146 1.00 74.45 C ATOM 115 O VAL A 19 3.683 -6.313 -24.778 1.00 31.41 O ATOM 116 CB VAL A 19 2.164 -3.493 -24.600 1.00 71.14 C ATOM 117 CG1 VAL A 19 1.795 -3.158 -26.037 1.00 54.33 C ATOM 118 CG2 VAL A 19 1.498 -2.529 -23.631 1.00 14.50 C ATOM 0 H VAL A 19 2.957 -5.303 -22.573 1.00 33.35 H new ATOM 0 HA VAL A 19 0.714 -5.087 -24.470 1.00 52.02 H new ATOM 0 HB VAL A 19 3.244 -3.390 -24.494 1.00 71.14 H new ATOM 0 HG11 VAL A 19 2.077 -2.128 -26.254 1.00 54.33 H new ATOM 0 HG12 VAL A 19 2.323 -3.829 -26.714 1.00 54.33 H new ATOM 0 HG13 VAL A 19 0.720 -3.277 -26.174 1.00 54.33 H new ATOM 0 HG21 VAL A 19 1.783 -1.507 -23.881 1.00 14.50 H new ATOM 0 HG22 VAL A 19 0.415 -2.631 -23.702 1.00 14.50 H new ATOM 0 HG23 VAL A 19 1.818 -2.756 -22.614 1.00 14.50 H new ATOM 128 N LYS A 20 2.041 -6.221 -26.312 1.00 53.42 N ATOM 129 CA LYS A 20 2.713 -7.115 -27.247 1.00 71.11 C ATOM 130 C LYS A 20 4.141 -6.650 -27.514 1.00 31.01 C ATOM 131 O LYS A 20 4.480 -5.478 -27.345 1.00 34.53 O ATOM 132 CB LYS A 20 1.935 -7.189 -28.563 1.00 21.10 C ATOM 133 CG LYS A 20 1.468 -5.836 -29.070 1.00 42.25 C ATOM 134 CD LYS A 20 1.579 -5.739 -30.583 1.00 1.12 C ATOM 135 CE LYS A 20 2.940 -5.210 -31.009 1.00 70.12 C ATOM 136 NZ LYS A 20 2.826 -3.937 -31.773 1.00 71.02 N ATOM 0 H LYS A 20 1.134 -5.882 -26.632 1.00 53.42 H new ATOM 0 HA LYS A 20 2.751 -8.108 -26.798 1.00 71.11 H new ATOM 0 HB2 LYS A 20 2.564 -7.655 -29.322 1.00 21.10 H new ATOM 0 HB3 LYS A 20 1.068 -7.836 -28.427 1.00 21.10 H new ATOM 0 HG2 LYS A 20 0.434 -5.671 -28.769 1.00 42.25 H new ATOM 0 HG3 LYS A 20 2.064 -5.048 -28.609 1.00 42.25 H new ATOM 0 HD2 LYS A 20 1.415 -6.722 -31.025 1.00 1.12 H new ATOM 0 HD3 LYS A 20 0.797 -5.083 -30.965 1.00 1.12 H new ATOM 0 HE2 LYS A 20 3.560 -5.050 -30.127 1.00 70.12 H new ATOM 0 HE3 LYS A 20 3.445 -5.957 -31.622 1.00 70.12 H new ATOM 0 HZ1 LYS A 20 3.630 -3.851 -32.427 1.00 71.02 H new ATOM 0 HZ2 LYS A 20 1.938 -3.935 -32.314 1.00 71.02 H new ATOM 0 HZ3 LYS A 20 2.830 -3.134 -31.112 1.00 71.02 H new ATOM 150 N PRO A 21 4.999 -7.587 -27.942 1.00 62.53 N ATOM 151 CA PRO A 21 6.404 -7.296 -28.244 1.00 31.24 C ATOM 152 C PRO A 21 6.563 -6.439 -29.495 1.00 32.22 C ATOM 153 O PRO A 21 5.610 -6.241 -30.249 1.00 63.52 O ATOM 154 CB PRO A 21 7.014 -8.683 -28.464 1.00 42.40 C ATOM 155 CG PRO A 21 5.870 -9.537 -28.889 1.00 42.12 C ATOM 156 CD PRO A 21 4.664 -9.004 -28.166 1.00 42.22 C ATOM 0 HA PRO A 21 6.883 -6.726 -27.447 1.00 31.24 H new ATOM 0 HB2 PRO A 21 7.793 -8.657 -29.226 1.00 42.40 H new ATOM 0 HB3 PRO A 21 7.474 -9.063 -27.551 1.00 42.40 H new ATOM 0 HG2 PRO A 21 5.729 -9.492 -29.969 1.00 42.12 H new ATOM 0 HG3 PRO A 21 6.047 -10.582 -28.634 1.00 42.12 H new ATOM 0 HD2 PRO A 21 3.758 -9.113 -28.762 1.00 42.22 H new ATOM 0 HD3 PRO A 21 4.494 -9.530 -27.227 1.00 42.22 H new ATOM 164 N VAL A 22 7.773 -5.933 -29.710 1.00 12.42 N ATOM 165 CA VAL A 22 8.057 -5.098 -30.871 1.00 12.20 C ATOM 166 C VAL A 22 8.931 -5.836 -31.878 1.00 61.32 C ATOM 167 O VAL A 22 9.669 -6.761 -31.537 1.00 2.32 O ATOM 168 CB VAL A 22 8.757 -3.788 -30.463 1.00 23.12 C ATOM 169 CG1 VAL A 22 7.764 -2.825 -29.831 1.00 75.31 C ATOM 170 CG2 VAL A 22 9.911 -4.075 -29.514 1.00 43.10 C ATOM 0 H VAL A 22 8.572 -6.087 -29.095 1.00 12.42 H new ATOM 0 HA VAL A 22 7.098 -4.860 -31.332 1.00 12.20 H new ATOM 0 HB VAL A 22 9.161 -3.318 -31.360 1.00 23.12 H new ATOM 0 HG11 VAL A 22 8.277 -1.906 -29.550 1.00 75.31 H new ATOM 0 HG12 VAL A 22 6.974 -2.595 -30.546 1.00 75.31 H new ATOM 0 HG13 VAL A 22 7.327 -3.283 -28.943 1.00 75.31 H new ATOM 0 HG21 VAL A 22 10.395 -3.139 -29.236 1.00 43.10 H new ATOM 0 HG22 VAL A 22 9.532 -4.568 -28.619 1.00 43.10 H new ATOM 0 HG23 VAL A 22 10.634 -4.725 -30.007 1.00 43.10 H new ATOM 180 N PRO A 23 8.848 -5.420 -33.151 1.00 22.44 N ATOM 181 CA PRO A 23 9.626 -6.028 -34.234 1.00 71.24 C ATOM 182 C PRO A 23 11.114 -5.715 -34.126 1.00 64.01 C ATOM 183 O PRO A 23 11.537 -4.853 -33.355 1.00 65.41 O ATOM 184 CB PRO A 23 9.036 -5.391 -35.495 1.00 32.10 C ATOM 185 CG PRO A 23 8.472 -4.091 -35.034 1.00 62.42 C ATOM 186 CD PRO A 23 7.989 -4.324 -33.629 1.00 63.23 C ATOM 0 HA PRO A 23 9.563 -7.116 -34.219 1.00 71.24 H new ATOM 0 HB2 PRO A 23 9.800 -5.243 -36.258 1.00 32.10 H new ATOM 0 HB3 PRO A 23 8.265 -6.024 -35.934 1.00 32.10 H new ATOM 0 HG2 PRO A 23 9.228 -3.306 -35.062 1.00 62.42 H new ATOM 0 HG3 PRO A 23 7.655 -3.769 -35.679 1.00 62.42 H new ATOM 0 HD2 PRO A 23 8.097 -3.431 -33.014 1.00 63.23 H new ATOM 0 HD3 PRO A 23 6.935 -4.601 -33.607 1.00 63.23 H new ATOM 194 N PRO A 24 11.929 -6.430 -34.916 1.00 43.53 N ATOM 195 CA PRO A 24 13.383 -6.244 -34.928 1.00 24.33 C ATOM 196 C PRO A 24 13.793 -4.911 -35.545 1.00 22.44 C ATOM 197 O PRO A 24 14.895 -4.417 -35.305 1.00 44.23 O ATOM 198 CB PRO A 24 13.882 -7.408 -35.788 1.00 44.23 C ATOM 199 CG PRO A 24 12.731 -7.748 -36.670 1.00 34.23 C ATOM 200 CD PRO A 24 11.494 -7.473 -35.860 1.00 11.22 C ATOM 0 HA PRO A 24 13.800 -6.230 -33.921 1.00 24.33 H new ATOM 0 HB2 PRO A 24 14.757 -7.122 -36.372 1.00 44.23 H new ATOM 0 HB3 PRO A 24 14.174 -8.259 -35.172 1.00 44.23 H new ATOM 0 HG2 PRO A 24 12.744 -7.146 -37.579 1.00 34.23 H new ATOM 0 HG3 PRO A 24 12.771 -8.793 -36.979 1.00 34.23 H new ATOM 0 HD2 PRO A 24 10.671 -7.130 -36.487 1.00 11.22 H new ATOM 0 HD3 PRO A 24 11.147 -8.366 -35.340 1.00 11.22 H new ATOM 208 N THR A 25 12.899 -4.333 -36.340 1.00 50.23 N ATOM 209 CA THR A 25 13.168 -3.057 -36.992 1.00 71.42 C ATOM 210 C THR A 25 12.892 -1.890 -36.051 1.00 60.14 C ATOM 211 O THR A 25 13.614 -0.894 -36.055 1.00 51.54 O ATOM 212 CB THR A 25 12.318 -2.887 -38.266 1.00 24.32 C ATOM 213 OG1 THR A 25 10.981 -3.338 -38.026 1.00 55.11 O ATOM 214 CG2 THR A 25 12.921 -3.665 -39.426 1.00 32.30 C ATOM 0 H THR A 25 11.982 -4.728 -36.548 1.00 50.23 H new ATOM 0 HA THR A 25 14.223 -3.058 -37.266 1.00 71.42 H new ATOM 0 HB THR A 25 12.302 -1.829 -38.528 1.00 24.32 H new ATOM 0 HG1 THR A 25 10.447 -3.225 -38.840 1.00 55.11 H new ATOM 0 HG21 THR A 25 12.304 -3.530 -40.314 1.00 32.30 H new ATOM 0 HG22 THR A 25 13.928 -3.299 -39.625 1.00 32.30 H new ATOM 0 HG23 THR A 25 12.963 -4.724 -39.171 1.00 32.30 H new ATOM 222 N ALA A 26 11.843 -2.021 -35.245 1.00 44.25 N ATOM 223 CA ALA A 26 11.474 -0.977 -34.297 1.00 22.51 C ATOM 224 C ALA A 26 12.606 -0.706 -33.311 1.00 73.42 C ATOM 225 O ALA A 26 12.934 -1.552 -32.479 1.00 24.15 O ATOM 226 CB ALA A 26 10.205 -1.366 -33.553 1.00 1.41 C ATOM 0 H ALA A 26 11.234 -2.839 -35.230 1.00 44.25 H new ATOM 0 HA ALA A 26 11.288 -0.060 -34.857 1.00 22.51 H new ATOM 0 HB1 ALA A 26 9.940 -0.578 -32.848 1.00 1.41 H new ATOM 0 HB2 ALA A 26 9.392 -1.503 -34.266 1.00 1.41 H new ATOM 0 HB3 ALA A 26 10.372 -2.297 -33.011 1.00 1.41 H new ATOM 232 N THR A 27 13.200 0.479 -33.411 1.00 31.24 N ATOM 233 CA THR A 27 14.296 0.861 -32.529 1.00 71.42 C ATOM 234 C THR A 27 13.773 1.460 -31.229 1.00 34.21 C ATOM 235 O THR A 27 12.579 1.731 -31.094 1.00 75.44 O ATOM 236 CB THR A 27 15.235 1.876 -33.208 1.00 30.33 C ATOM 237 OG1 THR A 27 14.500 3.044 -33.589 1.00 40.00 O ATOM 238 CG2 THR A 27 15.898 1.265 -34.433 1.00 74.21 C ATOM 0 H THR A 27 12.940 1.191 -34.094 1.00 31.24 H new ATOM 0 HA THR A 27 14.855 -0.048 -32.307 1.00 71.42 H new ATOM 0 HB THR A 27 16.012 2.153 -32.495 1.00 30.33 H new ATOM 0 HG1 THR A 27 15.104 3.685 -34.018 1.00 40.00 H new ATOM 0 HG21 THR A 27 16.556 2.001 -34.895 1.00 74.21 H new ATOM 0 HG22 THR A 27 16.481 0.393 -34.135 1.00 74.21 H new ATOM 0 HG23 THR A 27 15.133 0.963 -35.148 1.00 74.21 H new ATOM 246 N LEU A 28 14.672 1.666 -30.274 1.00 25.44 N ATOM 247 CA LEU A 28 14.301 2.234 -28.983 1.00 2.54 C ATOM 248 C LEU A 28 13.966 3.716 -29.117 1.00 15.33 C ATOM 249 O LEU A 28 13.002 4.200 -28.523 1.00 62.13 O ATOM 250 CB LEU A 28 15.437 2.046 -27.975 1.00 15.32 C ATOM 251 CG LEU A 28 15.262 2.749 -26.628 1.00 32.11 C ATOM 252 CD1 LEU A 28 15.821 1.892 -25.502 1.00 55.25 C ATOM 253 CD2 LEU A 28 15.935 4.113 -26.647 1.00 3.31 C ATOM 0 H LEU A 28 15.664 1.448 -30.369 1.00 25.44 H new ATOM 0 HA LEU A 28 13.415 1.710 -28.624 1.00 2.54 H new ATOM 0 HB2 LEU A 28 15.561 0.979 -27.792 1.00 15.32 H new ATOM 0 HB3 LEU A 28 16.362 2.401 -28.430 1.00 15.32 H new ATOM 0 HG LEU A 28 14.196 2.895 -26.451 1.00 32.11 H new ATOM 0 HD11 LEU A 28 15.688 2.408 -24.551 1.00 55.25 H new ATOM 0 HD12 LEU A 28 15.294 0.939 -25.474 1.00 55.25 H new ATOM 0 HD13 LEU A 28 16.883 1.714 -25.673 1.00 55.25 H new ATOM 0 HD21 LEU A 28 15.800 4.599 -25.681 1.00 3.31 H new ATOM 0 HD22 LEU A 28 17.000 3.991 -26.846 1.00 3.31 H new ATOM 0 HD23 LEU A 28 15.488 4.728 -27.428 1.00 3.31 H new ATOM 265 N GLU A 29 14.766 4.431 -29.902 1.00 72.50 N ATOM 266 CA GLU A 29 14.552 5.857 -30.115 1.00 12.12 C ATOM 267 C GLU A 29 13.234 6.107 -30.843 1.00 22.00 C ATOM 268 O GLU A 29 12.506 7.046 -30.524 1.00 11.14 O ATOM 269 CB GLU A 29 15.711 6.456 -30.915 1.00 33.33 C ATOM 270 CG GLU A 29 15.730 7.975 -30.915 1.00 35.02 C ATOM 271 CD GLU A 29 16.914 8.544 -31.672 1.00 21.43 C ATOM 272 OE1 GLU A 29 17.181 8.071 -32.797 1.00 11.04 O ATOM 273 OE2 GLU A 29 17.574 9.460 -31.140 1.00 2.43 O ATOM 0 H GLU A 29 15.568 4.046 -30.401 1.00 72.50 H new ATOM 0 HA GLU A 29 14.506 6.341 -29.139 1.00 12.12 H new ATOM 0 HB2 GLU A 29 16.652 6.089 -30.505 1.00 33.33 H new ATOM 0 HB3 GLU A 29 15.652 6.102 -31.944 1.00 33.33 H new ATOM 0 HG2 GLU A 29 14.807 8.346 -31.360 1.00 35.02 H new ATOM 0 HG3 GLU A 29 15.755 8.334 -29.886 1.00 35.02 H new ATOM 280 N GLN A 30 12.937 5.260 -31.823 1.00 34.32 N ATOM 281 CA GLN A 30 11.708 5.389 -32.597 1.00 51.32 C ATOM 282 C GLN A 30 10.485 5.115 -31.728 1.00 61.51 C ATOM 283 O GLN A 30 9.520 5.880 -31.736 1.00 1.02 O ATOM 284 CB GLN A 30 11.727 4.430 -33.789 1.00 5.23 C ATOM 285 CG GLN A 30 10.778 4.830 -34.907 1.00 23.32 C ATOM 286 CD GLN A 30 11.293 4.436 -36.278 1.00 12.45 C ATOM 287 OE1 GLN A 30 11.436 3.252 -36.583 1.00 52.24 O ATOM 288 NE2 GLN A 30 11.574 5.430 -37.112 1.00 41.11 N ATOM 0 H GLN A 30 13.530 4.478 -32.100 1.00 34.32 H new ATOM 0 HA GLN A 30 11.647 6.413 -32.965 1.00 51.32 H new ATOM 0 HB2 GLN A 30 12.741 4.377 -34.186 1.00 5.23 H new ATOM 0 HB3 GLN A 30 11.467 3.429 -33.444 1.00 5.23 H new ATOM 0 HG2 GLN A 30 9.808 4.363 -34.739 1.00 23.32 H new ATOM 0 HG3 GLN A 30 10.622 5.908 -34.878 1.00 23.32 H new ATOM 0 HE21 GLN A 30 11.440 6.397 -36.816 1.00 41.11 H new ATOM 0 HE22 GLN A 30 11.924 5.227 -38.048 1.00 41.11 H new ATOM 297 N LEU A 31 10.532 4.018 -30.980 1.00 73.31 N ATOM 298 CA LEU A 31 9.427 3.641 -30.105 1.00 1.12 C ATOM 299 C LEU A 31 9.134 4.744 -29.092 1.00 64.42 C ATOM 300 O LEU A 31 7.993 5.184 -28.950 1.00 4.54 O ATOM 301 CB LEU A 31 9.751 2.336 -29.376 1.00 35.14 C ATOM 302 CG LEU A 31 9.164 1.063 -29.986 1.00 74.31 C ATOM 303 CD1 LEU A 31 9.816 -0.170 -29.380 1.00 43.10 C ATOM 304 CD2 LEU A 31 7.655 1.022 -29.787 1.00 44.14 C ATOM 0 H LEU A 31 11.323 3.374 -30.962 1.00 73.31 H new ATOM 0 HA LEU A 31 8.540 3.495 -30.722 1.00 1.12 H new ATOM 0 HB2 LEU A 31 10.835 2.227 -29.332 1.00 35.14 H new ATOM 0 HB3 LEU A 31 9.397 2.419 -28.349 1.00 35.14 H new ATOM 0 HG LEU A 31 9.370 1.069 -31.056 1.00 74.31 H new ATOM 0 HD11 LEU A 31 9.385 -1.066 -29.827 1.00 43.10 H new ATOM 0 HD12 LEU A 31 10.888 -0.147 -29.574 1.00 43.10 H new ATOM 0 HD13 LEU A 31 9.643 -0.182 -28.304 1.00 43.10 H new ATOM 0 HD21 LEU A 31 7.255 0.109 -30.228 1.00 44.14 H new ATOM 0 HD22 LEU A 31 7.428 1.040 -28.721 1.00 44.14 H new ATOM 0 HD23 LEU A 31 7.201 1.887 -30.270 1.00 44.14 H new ATOM 316 N THR A 32 10.173 5.187 -28.391 1.00 43.42 N ATOM 317 CA THR A 32 10.028 6.239 -27.393 1.00 4.13 C ATOM 318 C THR A 32 9.457 7.510 -28.011 1.00 61.35 C ATOM 319 O THR A 32 8.536 8.116 -27.466 1.00 3.45 O ATOM 320 CB THR A 32 11.376 6.568 -26.724 1.00 44.41 C ATOM 321 OG1 THR A 32 11.999 5.366 -26.258 1.00 71.01 O ATOM 322 CG2 THR A 32 11.183 7.529 -25.561 1.00 11.15 C ATOM 0 H THR A 32 11.124 4.833 -28.496 1.00 43.42 H new ATOM 0 HA THR A 32 9.337 5.864 -26.638 1.00 4.13 H new ATOM 0 HB THR A 32 12.017 7.044 -27.466 1.00 44.41 H new ATOM 0 HG1 THR A 32 12.414 4.899 -27.013 1.00 71.01 H new ATOM 0 HG21 THR A 32 12.149 7.746 -25.105 1.00 11.15 H new ATOM 0 HG22 THR A 32 10.737 8.455 -25.924 1.00 11.15 H new ATOM 0 HG23 THR A 32 10.525 7.076 -24.820 1.00 11.15 H new ATOM 330 N GLU A 33 10.009 7.906 -29.154 1.00 2.20 N ATOM 331 CA GLU A 33 9.553 9.106 -29.846 1.00 61.22 C ATOM 332 C GLU A 33 8.053 9.039 -30.120 1.00 3.25 C ATOM 333 O GLU A 33 7.300 9.932 -29.731 1.00 32.25 O ATOM 334 CB GLU A 33 10.315 9.283 -31.161 1.00 51.52 C ATOM 335 CG GLU A 33 10.103 10.642 -31.809 1.00 31.43 C ATOM 336 CD GLU A 33 11.371 11.471 -31.853 1.00 3.45 C ATOM 337 OE1 GLU A 33 11.790 11.971 -30.787 1.00 53.11 O ATOM 338 OE2 GLU A 33 11.945 11.621 -32.951 1.00 42.43 O ATOM 0 H GLU A 33 10.772 7.414 -29.620 1.00 2.20 H new ATOM 0 HA GLU A 33 9.749 9.963 -29.202 1.00 61.22 H new ATOM 0 HB2 GLU A 33 11.380 9.140 -30.976 1.00 51.52 H new ATOM 0 HB3 GLU A 33 10.005 8.505 -31.858 1.00 51.52 H new ATOM 0 HG2 GLU A 33 9.729 10.502 -32.823 1.00 31.43 H new ATOM 0 HG3 GLU A 33 9.336 11.187 -31.259 1.00 31.43 H new ATOM 345 N PHE A 34 7.627 7.975 -30.792 1.00 1.11 N ATOM 346 CA PHE A 34 6.218 7.792 -31.119 1.00 60.44 C ATOM 347 C PHE A 34 5.356 7.848 -29.862 1.00 15.31 C ATOM 348 O PHE A 34 4.287 8.459 -29.856 1.00 14.34 O ATOM 349 CB PHE A 34 6.009 6.456 -31.835 1.00 73.42 C ATOM 350 CG PHE A 34 6.149 6.547 -33.328 1.00 22.32 C ATOM 351 CD1 PHE A 34 7.333 6.984 -33.900 1.00 71.41 C ATOM 352 CD2 PHE A 34 5.097 6.196 -34.159 1.00 1.04 C ATOM 353 CE1 PHE A 34 7.466 7.068 -35.273 1.00 53.34 C ATOM 354 CE2 PHE A 34 5.224 6.278 -35.532 1.00 42.33 C ATOM 355 CZ PHE A 34 6.409 6.716 -36.090 1.00 44.14 C ATOM 0 H PHE A 34 8.237 7.227 -31.121 1.00 1.11 H new ATOM 0 HA PHE A 34 5.916 8.603 -31.781 1.00 60.44 H new ATOM 0 HB2 PHE A 34 6.730 5.732 -31.454 1.00 73.42 H new ATOM 0 HB3 PHE A 34 5.017 6.075 -31.594 1.00 73.42 H new ATOM 0 HD1 PHE A 34 8.162 7.262 -33.265 1.00 71.41 H new ATOM 0 HD2 PHE A 34 4.167 5.854 -33.728 1.00 1.04 H new ATOM 0 HE1 PHE A 34 8.395 7.408 -35.707 1.00 53.34 H new ATOM 0 HE2 PHE A 34 4.397 6.000 -36.169 1.00 42.33 H new ATOM 0 HZ PHE A 34 6.509 6.783 -37.163 1.00 44.14 H new ATOM 365 N PHE A 35 5.828 7.206 -28.798 1.00 54.34 N ATOM 366 CA PHE A 35 5.100 7.182 -27.535 1.00 31.40 C ATOM 367 C PHE A 35 4.845 8.597 -27.026 1.00 51.55 C ATOM 368 O PHE A 35 3.709 8.966 -26.727 1.00 61.13 O ATOM 369 CB PHE A 35 5.881 6.384 -26.488 1.00 14.41 C ATOM 370 CG PHE A 35 5.393 4.973 -26.323 1.00 4.30 C ATOM 371 CD1 PHE A 35 4.846 4.551 -25.122 1.00 55.34 C ATOM 372 CD2 PHE A 35 5.484 4.069 -27.369 1.00 33.55 C ATOM 373 CE1 PHE A 35 4.396 3.254 -24.967 1.00 72.53 C ATOM 374 CE2 PHE A 35 5.035 2.770 -27.220 1.00 24.25 C ATOM 375 CZ PHE A 35 4.492 2.361 -26.017 1.00 51.41 C ATOM 0 H PHE A 35 6.711 6.696 -28.786 1.00 54.34 H new ATOM 0 HA PHE A 35 4.138 6.699 -27.708 1.00 31.40 H new ATOM 0 HB2 PHE A 35 6.934 6.365 -26.768 1.00 14.41 H new ATOM 0 HB3 PHE A 35 5.816 6.897 -25.529 1.00 14.41 H new ATOM 0 HD1 PHE A 35 4.771 5.244 -24.297 1.00 55.34 H new ATOM 0 HD2 PHE A 35 5.910 4.382 -28.311 1.00 33.55 H new ATOM 0 HE1 PHE A 35 3.970 2.938 -24.026 1.00 72.53 H new ATOM 0 HE2 PHE A 35 5.109 2.075 -28.044 1.00 24.25 H new ATOM 0 HZ PHE A 35 4.143 1.346 -25.898 1.00 51.41 H new ATOM 385 N SER A 36 5.910 9.386 -26.931 1.00 3.42 N ATOM 386 CA SER A 36 5.804 10.760 -26.454 1.00 53.55 C ATOM 387 C SER A 36 4.797 11.548 -27.287 1.00 74.44 C ATOM 388 O SER A 36 4.109 12.433 -26.779 1.00 0.15 O ATOM 389 CB SER A 36 7.170 11.447 -26.503 1.00 61.11 C ATOM 390 OG SER A 36 7.535 11.947 -25.229 1.00 1.34 O ATOM 0 H SER A 36 6.857 9.097 -27.178 1.00 3.42 H new ATOM 0 HA SER A 36 5.455 10.733 -25.422 1.00 53.55 H new ATOM 0 HB2 SER A 36 7.924 10.740 -26.849 1.00 61.11 H new ATOM 0 HB3 SER A 36 7.144 12.264 -27.224 1.00 61.11 H new ATOM 0 HG SER A 36 8.412 12.380 -25.287 1.00 1.34 H new ATOM 396 N LYS A 37 4.715 11.218 -28.572 1.00 50.20 N ATOM 397 CA LYS A 37 3.792 11.892 -29.478 1.00 20.41 C ATOM 398 C LYS A 37 2.345 11.625 -29.077 1.00 54.20 C ATOM 399 O LYS A 37 1.487 12.502 -29.191 1.00 60.40 O ATOM 400 CB LYS A 37 4.028 11.427 -30.917 1.00 15.20 C ATOM 401 CG LYS A 37 3.490 12.389 -31.962 1.00 41.23 C ATOM 402 CD LYS A 37 3.170 11.675 -33.265 1.00 14.32 C ATOM 403 CE LYS A 37 4.272 11.872 -34.294 1.00 61.20 C ATOM 404 NZ LYS A 37 4.080 13.121 -35.081 1.00 54.13 N ATOM 0 H LYS A 37 5.277 10.488 -29.009 1.00 50.20 H new ATOM 0 HA LYS A 37 3.976 12.964 -29.414 1.00 20.41 H new ATOM 0 HB2 LYS A 37 5.098 11.292 -31.076 1.00 15.20 H new ATOM 0 HB3 LYS A 37 3.560 10.453 -31.057 1.00 15.20 H new ATOM 0 HG2 LYS A 37 2.591 12.875 -31.582 1.00 41.23 H new ATOM 0 HG3 LYS A 37 4.223 13.174 -32.147 1.00 41.23 H new ATOM 0 HD2 LYS A 37 3.035 10.610 -33.074 1.00 14.32 H new ATOM 0 HD3 LYS A 37 2.227 12.049 -33.664 1.00 14.32 H new ATOM 0 HE2 LYS A 37 5.238 11.906 -33.790 1.00 61.20 H new ATOM 0 HE3 LYS A 37 4.295 11.017 -34.970 1.00 61.20 H new ATOM 0 HZ1 LYS A 37 4.852 13.219 -35.771 1.00 54.13 H new ATOM 0 HZ2 LYS A 37 3.170 13.079 -35.583 1.00 54.13 H new ATOM 0 HZ3 LYS A 37 4.084 13.940 -34.440 1.00 54.13 H new ATOM 418 N HIS A 38 2.080 10.411 -28.606 1.00 33.21 N ATOM 419 CA HIS A 38 0.736 10.030 -28.186 1.00 13.22 C ATOM 420 C HIS A 38 0.785 9.136 -26.951 1.00 24.03 C ATOM 421 O HIS A 38 1.274 8.008 -27.008 1.00 3.54 O ATOM 422 CB HIS A 38 0.008 9.311 -29.322 1.00 21.42 C ATOM 423 CG HIS A 38 -1.355 8.819 -28.944 1.00 12.25 C ATOM 424 ND1 HIS A 38 -1.572 7.611 -28.316 1.00 73.31 N ATOM 425 CD2 HIS A 38 -2.576 9.382 -29.106 1.00 24.21 C ATOM 426 CE1 HIS A 38 -2.867 7.450 -28.110 1.00 54.35 C ATOM 427 NE2 HIS A 38 -3.498 8.511 -28.580 1.00 54.32 N ATOM 0 H HIS A 38 2.778 9.674 -28.505 1.00 33.21 H new ATOM 0 HA HIS A 38 0.190 10.939 -27.933 1.00 13.22 H new ATOM 0 HB2 HIS A 38 -0.082 9.989 -30.171 1.00 21.42 H new ATOM 0 HB3 HIS A 38 0.612 8.466 -29.652 1.00 21.42 H new ATOM 0 HD2 HIS A 38 -2.785 10.338 -29.563 1.00 24.21 H new ATOM 0 HE1 HIS A 38 -3.331 6.596 -27.638 1.00 54.35 H new ATOM 0 HE2 HIS A 38 -4.507 8.659 -28.556 1.00 54.32 H new ATOM 435 N GLY A 39 0.276 9.648 -25.834 1.00 43.01 N ATOM 436 CA GLY A 39 0.274 8.883 -24.601 1.00 75.20 C ATOM 437 C GLY A 39 1.464 9.201 -23.719 1.00 2.05 C ATOM 438 O GLY A 39 2.577 9.393 -24.209 1.00 64.31 O ATOM 0 H GLY A 39 -0.135 10.579 -25.761 1.00 43.01 H new ATOM 0 HA2 GLY A 39 -0.646 9.087 -24.052 1.00 75.20 H new ATOM 0 HA3 GLY A 39 0.275 7.819 -24.837 1.00 75.20 H new ATOM 442 N THR A 40 1.231 9.259 -22.411 1.00 10.51 N ATOM 443 CA THR A 40 2.292 9.560 -21.458 1.00 60.40 C ATOM 444 C THR A 40 2.557 8.373 -20.538 1.00 53.22 C ATOM 445 O THR A 40 1.711 8.006 -19.723 1.00 13.13 O ATOM 446 CB THR A 40 1.946 10.792 -20.601 1.00 75.21 C ATOM 447 OG1 THR A 40 1.364 11.811 -21.421 1.00 54.14 O ATOM 448 CG2 THR A 40 3.186 11.337 -19.910 1.00 64.32 C ATOM 0 H THR A 40 0.316 9.101 -21.988 1.00 10.51 H new ATOM 0 HA THR A 40 3.188 9.773 -22.040 1.00 60.40 H new ATOM 0 HB THR A 40 1.230 10.486 -19.838 1.00 75.21 H new ATOM 0 HG1 THR A 40 1.145 12.590 -20.868 1.00 54.14 H new ATOM 0 HG21 THR A 40 2.916 12.207 -19.311 1.00 64.32 H new ATOM 0 HG22 THR A 40 3.610 10.568 -19.264 1.00 64.32 H new ATOM 0 HG23 THR A 40 3.922 11.627 -20.660 1.00 64.32 H new ATOM 456 N VAL A 41 3.737 7.777 -20.674 1.00 20.12 N ATOM 457 CA VAL A 41 4.114 6.632 -19.853 1.00 40.30 C ATOM 458 C VAL A 41 5.283 6.975 -18.936 1.00 62.35 C ATOM 459 O VAL A 41 6.162 7.755 -19.301 1.00 61.24 O ATOM 460 CB VAL A 41 4.496 5.420 -20.723 1.00 34.45 C ATOM 461 CG1 VAL A 41 3.315 4.980 -21.574 1.00 55.45 C ATOM 462 CG2 VAL A 41 5.699 5.747 -21.593 1.00 64.53 C ATOM 0 H VAL A 41 4.448 8.068 -21.345 1.00 20.12 H new ATOM 0 HA VAL A 41 3.245 6.376 -19.248 1.00 40.30 H new ATOM 0 HB VAL A 41 4.766 4.594 -20.066 1.00 34.45 H new ATOM 0 HG11 VAL A 41 3.604 4.123 -22.182 1.00 55.45 H new ATOM 0 HG12 VAL A 41 2.483 4.702 -20.926 1.00 55.45 H new ATOM 0 HG13 VAL A 41 3.010 5.800 -22.225 1.00 55.45 H new ATOM 0 HG21 VAL A 41 5.955 4.879 -22.201 1.00 64.53 H new ATOM 0 HG22 VAL A 41 5.460 6.588 -22.244 1.00 64.53 H new ATOM 0 HG23 VAL A 41 6.546 6.008 -20.959 1.00 64.53 H new ATOM 472 N GLN A 42 5.286 6.385 -17.745 1.00 43.32 N ATOM 473 CA GLN A 42 6.348 6.628 -16.776 1.00 1.51 C ATOM 474 C GLN A 42 7.650 5.968 -17.218 1.00 1.43 C ATOM 475 O GLN A 42 8.667 6.638 -17.398 1.00 32.12 O ATOM 476 CB GLN A 42 5.939 6.105 -15.398 1.00 2.41 C ATOM 477 CG GLN A 42 6.543 6.891 -14.245 1.00 53.41 C ATOM 478 CD GLN A 42 7.594 6.103 -13.488 1.00 54.23 C ATOM 479 OE1 GLN A 42 7.417 4.916 -13.213 1.00 10.23 O ATOM 480 NE2 GLN A 42 8.696 6.761 -13.148 1.00 31.33 N ATOM 0 H GLN A 42 4.566 5.736 -17.428 1.00 43.32 H new ATOM 0 HA GLN A 42 6.510 7.704 -16.715 1.00 1.51 H new ATOM 0 HB2 GLN A 42 4.852 6.133 -15.316 1.00 2.41 H new ATOM 0 HB3 GLN A 42 6.239 5.061 -15.311 1.00 2.41 H new ATOM 0 HG2 GLN A 42 6.989 7.808 -14.630 1.00 53.41 H new ATOM 0 HG3 GLN A 42 5.751 7.186 -13.557 1.00 53.41 H new ATOM 0 HE21 GLN A 42 8.800 7.745 -13.397 1.00 31.33 H new ATOM 0 HE22 GLN A 42 9.439 6.283 -12.638 1.00 31.33 H new ATOM 489 N ALA A 43 7.611 4.651 -17.390 1.00 42.20 N ATOM 490 CA ALA A 43 8.787 3.901 -17.812 1.00 64.12 C ATOM 491 C ALA A 43 8.390 2.604 -18.509 1.00 43.13 C ATOM 492 O ALA A 43 7.240 2.173 -18.432 1.00 31.23 O ATOM 493 CB ALA A 43 9.683 3.607 -16.618 1.00 10.43 C ATOM 0 H ALA A 43 6.778 4.081 -17.244 1.00 42.20 H new ATOM 0 HA ALA A 43 9.340 4.512 -18.525 1.00 64.12 H new ATOM 0 HB1 ALA A 43 10.557 3.046 -16.949 1.00 10.43 H new ATOM 0 HB2 ALA A 43 10.004 4.545 -16.164 1.00 10.43 H new ATOM 0 HB3 ALA A 43 9.131 3.019 -15.885 1.00 10.43 H new ATOM 499 N VAL A 44 9.350 1.986 -19.191 1.00 54.54 N ATOM 500 CA VAL A 44 9.100 0.738 -19.902 1.00 51.33 C ATOM 501 C VAL A 44 10.322 -0.172 -19.860 1.00 32.55 C ATOM 502 O VAL A 44 11.459 0.295 -19.917 1.00 41.02 O ATOM 503 CB VAL A 44 8.717 0.996 -21.372 1.00 13.23 C ATOM 504 CG1 VAL A 44 9.811 1.781 -22.079 1.00 52.31 C ATOM 505 CG2 VAL A 44 8.443 -0.317 -22.089 1.00 32.12 C ATOM 0 H VAL A 44 10.307 2.330 -19.266 1.00 54.54 H new ATOM 0 HA VAL A 44 8.267 0.248 -19.398 1.00 51.33 H new ATOM 0 HB VAL A 44 7.805 1.592 -21.393 1.00 13.23 H new ATOM 0 HG11 VAL A 44 9.523 1.954 -23.116 1.00 52.31 H new ATOM 0 HG12 VAL A 44 9.954 2.738 -21.578 1.00 52.31 H new ATOM 0 HG13 VAL A 44 10.742 1.214 -22.051 1.00 52.31 H new ATOM 0 HG21 VAL A 44 8.174 -0.116 -23.126 1.00 32.12 H new ATOM 0 HG22 VAL A 44 9.337 -0.941 -22.060 1.00 32.12 H new ATOM 0 HG23 VAL A 44 7.622 -0.837 -21.595 1.00 32.12 H new ATOM 515 N TRP A 45 10.079 -1.474 -19.759 1.00 31.13 N ATOM 516 CA TRP A 45 11.160 -2.452 -19.709 1.00 3.43 C ATOM 517 C TRP A 45 10.648 -3.848 -20.046 1.00 2.35 C ATOM 518 O TRP A 45 9.440 -4.078 -20.104 1.00 63.23 O ATOM 519 CB TRP A 45 11.810 -2.454 -18.324 1.00 10.40 C ATOM 520 CG TRP A 45 13.061 -1.631 -18.254 1.00 13.25 C ATOM 521 CD1 TRP A 45 14.234 -1.865 -18.913 1.00 12.35 C ATOM 522 CD2 TRP A 45 13.263 -0.444 -17.479 1.00 50.53 C ATOM 523 NE1 TRP A 45 15.153 -0.894 -18.595 1.00 22.34 N ATOM 524 CE2 TRP A 45 14.582 -0.010 -17.718 1.00 30.31 C ATOM 525 CE3 TRP A 45 12.458 0.297 -16.610 1.00 31.14 C ATOM 526 CZ2 TRP A 45 15.111 1.128 -17.117 1.00 3.53 C ATOM 527 CZ3 TRP A 45 12.985 1.427 -16.013 1.00 71.34 C ATOM 528 CH2 TRP A 45 14.301 1.834 -16.270 1.00 11.25 C ATOM 0 H TRP A 45 9.143 -1.877 -19.710 1.00 31.13 H new ATOM 0 HA TRP A 45 11.906 -2.170 -20.452 1.00 3.43 H new ATOM 0 HB2 TRP A 45 11.094 -2.077 -17.594 1.00 10.40 H new ATOM 0 HB3 TRP A 45 12.043 -3.481 -18.041 1.00 10.40 H new ATOM 0 HD1 TRP A 45 14.413 -2.691 -19.585 1.00 12.35 H new ATOM 0 HE1 TRP A 45 16.106 -0.840 -18.954 1.00 22.34 H new ATOM 0 HE3 TRP A 45 11.442 -0.008 -16.408 1.00 31.14 H new ATOM 0 HZ2 TRP A 45 16.125 1.443 -17.312 1.00 3.53 H new ATOM 0 HZ3 TRP A 45 12.372 2.006 -15.337 1.00 71.34 H new ATOM 0 HH2 TRP A 45 14.683 2.723 -15.790 1.00 11.25 H new ATOM 539 N ARG A 46 11.574 -4.776 -20.266 1.00 13.43 N ATOM 540 CA ARG A 46 11.215 -6.149 -20.598 1.00 33.13 C ATOM 541 C ARG A 46 12.353 -7.106 -20.256 1.00 71.33 C ATOM 542 O ARG A 46 13.527 -6.776 -20.427 1.00 33.53 O ATOM 543 CB ARG A 46 10.867 -6.263 -22.083 1.00 15.00 C ATOM 544 CG ARG A 46 11.977 -5.789 -23.007 1.00 33.32 C ATOM 545 CD ARG A 46 11.865 -4.300 -23.294 1.00 70.22 C ATOM 546 NE ARG A 46 11.635 -4.032 -24.711 1.00 51.02 N ATOM 547 CZ ARG A 46 11.473 -2.812 -25.211 1.00 75.13 C ATOM 548 NH1 ARG A 46 11.515 -1.754 -24.414 1.00 3.13 N ATOM 549 NH2 ARG A 46 11.267 -2.649 -26.512 1.00 44.11 N ATOM 0 H ARG A 46 12.578 -4.602 -20.220 1.00 13.43 H new ATOM 0 HA ARG A 46 10.342 -6.423 -20.006 1.00 33.13 H new ATOM 0 HB2 ARG A 46 10.633 -7.302 -22.314 1.00 15.00 H new ATOM 0 HB3 ARG A 46 9.967 -5.681 -22.282 1.00 15.00 H new ATOM 0 HG2 ARG A 46 12.945 -6.001 -22.553 1.00 33.32 H new ATOM 0 HG3 ARG A 46 11.935 -6.345 -23.943 1.00 33.32 H new ATOM 0 HD2 ARG A 46 11.048 -3.878 -22.708 1.00 70.22 H new ATOM 0 HD3 ARG A 46 12.779 -3.799 -22.974 1.00 70.22 H new ATOM 0 HE ARG A 46 11.597 -4.825 -25.352 1.00 51.02 H new ATOM 0 HH11 ARG A 46 11.672 -1.875 -23.413 1.00 3.13 H new ATOM 0 HH12 ARG A 46 11.390 -0.819 -24.801 1.00 3.13 H new ATOM 0 HH21 ARG A 46 11.233 -3.461 -27.129 1.00 44.11 H new ATOM 0 HH22 ARG A 46 11.143 -1.712 -26.895 1.00 44.11 H new ATOM 563 N ARG A 47 11.997 -8.292 -19.773 1.00 61.11 N ATOM 564 CA ARG A 47 12.988 -9.296 -19.406 1.00 64.21 C ATOM 565 C ARG A 47 12.482 -10.701 -19.721 1.00 13.22 C ATOM 566 O ARG A 47 11.285 -10.910 -19.918 1.00 74.20 O ATOM 567 CB ARG A 47 13.330 -9.187 -17.919 1.00 13.01 C ATOM 568 CG ARG A 47 12.181 -9.570 -17.001 1.00 32.24 C ATOM 569 CD ARG A 47 11.796 -8.422 -16.080 1.00 64.24 C ATOM 570 NE ARG A 47 11.022 -8.879 -14.929 1.00 50.15 N ATOM 571 CZ ARG A 47 10.312 -8.068 -14.153 1.00 73.21 C ATOM 572 NH1 ARG A 47 10.278 -6.767 -14.403 1.00 53.45 N ATOM 573 NH2 ARG A 47 9.633 -8.559 -13.124 1.00 70.21 N ATOM 0 H ARG A 47 11.030 -8.581 -19.627 1.00 61.11 H new ATOM 0 HA ARG A 47 13.888 -9.113 -19.993 1.00 64.21 H new ATOM 0 HB2 ARG A 47 14.185 -9.827 -17.704 1.00 13.01 H new ATOM 0 HB3 ARG A 47 13.635 -8.164 -17.699 1.00 13.01 H new ATOM 0 HG2 ARG A 47 11.318 -9.863 -17.599 1.00 32.24 H new ATOM 0 HG3 ARG A 47 12.464 -10.437 -16.404 1.00 32.24 H new ATOM 0 HD2 ARG A 47 12.698 -7.918 -15.733 1.00 64.24 H new ATOM 0 HD3 ARG A 47 11.215 -7.688 -16.639 1.00 64.24 H new ATOM 0 HE ARG A 47 11.027 -9.875 -14.709 1.00 50.15 H new ATOM 0 HH11 ARG A 47 10.798 -6.386 -15.193 1.00 53.45 H new ATOM 0 HH12 ARG A 47 9.732 -6.147 -13.805 1.00 53.45 H new ATOM 0 HH21 ARG A 47 9.656 -9.560 -12.929 1.00 70.21 H new ATOM 0 HH22 ARG A 47 9.088 -7.936 -12.528 1.00 70.21 H new ATOM 587 N TYR A 48 13.401 -11.659 -19.767 1.00 14.14 N ATOM 588 CA TYR A 48 13.048 -13.043 -20.060 1.00 52.23 C ATOM 589 C TYR A 48 13.967 -14.008 -19.319 1.00 64.51 C ATOM 590 O TYR A 48 15.185 -13.989 -19.502 1.00 73.23 O ATOM 591 CB TYR A 48 13.124 -13.302 -21.566 1.00 24.22 C ATOM 592 CG TYR A 48 14.461 -12.942 -22.175 1.00 74.31 C ATOM 593 CD1 TYR A 48 15.431 -13.913 -22.392 1.00 3.24 C ATOM 594 CD2 TYR A 48 14.753 -11.632 -22.533 1.00 60.22 C ATOM 595 CE1 TYR A 48 16.654 -13.589 -22.947 1.00 51.33 C ATOM 596 CE2 TYR A 48 15.972 -11.299 -23.091 1.00 22.32 C ATOM 597 CZ TYR A 48 16.919 -12.281 -23.296 1.00 3.23 C ATOM 598 OH TYR A 48 18.136 -11.953 -23.850 1.00 14.04 O ATOM 0 H TYR A 48 14.396 -11.503 -19.605 1.00 14.14 H new ATOM 0 HA TYR A 48 12.026 -13.211 -19.720 1.00 52.23 H new ATOM 0 HB2 TYR A 48 12.919 -14.356 -21.756 1.00 24.22 H new ATOM 0 HB3 TYR A 48 12.341 -12.730 -22.065 1.00 24.22 H new ATOM 0 HD1 TYR A 48 15.225 -14.938 -22.122 1.00 3.24 H new ATOM 0 HD2 TYR A 48 14.014 -10.861 -22.372 1.00 60.22 H new ATOM 0 HE1 TYR A 48 17.398 -14.355 -23.107 1.00 51.33 H new ATOM 0 HE2 TYR A 48 16.182 -10.276 -23.365 1.00 22.32 H new ATOM 0 HH TYR A 48 18.161 -10.992 -24.039 1.00 14.04 H new ATOM 608 N PHE A 49 13.376 -14.853 -18.481 1.00 74.22 N ATOM 609 CA PHE A 49 14.140 -15.827 -17.711 1.00 31.41 C ATOM 610 C PHE A 49 14.420 -17.078 -18.540 1.00 13.52 C ATOM 611 O PHE A 49 13.499 -17.791 -18.936 1.00 31.51 O ATOM 612 CB PHE A 49 13.385 -16.206 -16.435 1.00 71.11 C ATOM 613 CG PHE A 49 13.893 -15.505 -15.208 1.00 31.35 C ATOM 614 CD1 PHE A 49 15.213 -15.643 -14.811 1.00 64.14 C ATOM 615 CD2 PHE A 49 13.050 -14.709 -14.449 1.00 75.14 C ATOM 616 CE1 PHE A 49 15.684 -14.999 -13.683 1.00 22.25 C ATOM 617 CE2 PHE A 49 13.515 -14.063 -13.320 1.00 13.51 C ATOM 618 CZ PHE A 49 14.833 -14.209 -12.935 1.00 42.33 C ATOM 0 H PHE A 49 12.370 -14.883 -18.318 1.00 74.22 H new ATOM 0 HA PHE A 49 15.092 -15.371 -17.440 1.00 31.41 H new ATOM 0 HB2 PHE A 49 12.328 -15.974 -16.565 1.00 71.11 H new ATOM 0 HB3 PHE A 49 13.459 -17.283 -16.285 1.00 71.11 H new ATOM 0 HD1 PHE A 49 15.882 -16.262 -15.390 1.00 64.14 H new ATOM 0 HD2 PHE A 49 12.018 -14.592 -14.744 1.00 75.14 H new ATOM 0 HE1 PHE A 49 16.716 -15.113 -13.387 1.00 22.25 H new ATOM 0 HE2 PHE A 49 12.848 -13.444 -12.739 1.00 13.51 H new ATOM 0 HZ PHE A 49 15.198 -13.707 -12.051 1.00 42.33 H new ATOM 628 N ALA A 50 15.698 -17.335 -18.799 1.00 14.14 N ATOM 629 CA ALA A 50 16.100 -18.499 -19.579 1.00 14.33 C ATOM 630 C ALA A 50 16.075 -19.765 -18.729 1.00 14.41 C ATOM 631 O ALA A 50 15.799 -20.854 -19.229 1.00 63.40 O ATOM 632 CB ALA A 50 17.485 -18.285 -20.170 1.00 2.22 C ATOM 0 H ALA A 50 16.472 -16.753 -18.480 1.00 14.14 H new ATOM 0 HA ALA A 50 15.385 -18.625 -20.392 1.00 14.33 H new ATOM 0 HB1 ALA A 50 17.773 -19.162 -20.750 1.00 2.22 H new ATOM 0 HB2 ALA A 50 17.472 -17.409 -20.819 1.00 2.22 H new ATOM 0 HB3 ALA A 50 18.204 -18.130 -19.365 1.00 2.22 H new ATOM 638 N GLY A 51 16.365 -19.613 -17.440 1.00 51.22 N ATOM 639 CA GLY A 51 16.371 -20.753 -16.542 1.00 11.41 C ATOM 640 C GLY A 51 17.730 -21.418 -16.458 1.00 44.32 C ATOM 641 O GLY A 51 18.222 -21.969 -17.443 1.00 44.11 O ATOM 0 H GLY A 51 16.596 -18.721 -17.002 1.00 51.22 H new ATOM 0 HA2 GLY A 51 16.066 -20.429 -15.547 1.00 11.41 H new ATOM 0 HA3 GLY A 51 15.634 -21.481 -16.880 1.00 11.41 H new ATOM 645 N LYS A 52 18.341 -21.366 -15.279 1.00 42.43 N ATOM 646 CA LYS A 52 19.653 -21.967 -15.069 1.00 73.03 C ATOM 647 C LYS A 52 19.736 -22.625 -13.696 1.00 32.31 C ATOM 648 O LYS A 52 20.640 -22.338 -12.912 1.00 2.55 O ATOM 649 CB LYS A 52 20.750 -20.909 -15.207 1.00 13.23 C ATOM 650 CG LYS A 52 22.079 -21.469 -15.682 1.00 50.04 C ATOM 651 CD LYS A 52 21.981 -22.009 -17.099 1.00 64.13 C ATOM 652 CE LYS A 52 22.868 -21.227 -18.056 1.00 62.22 C ATOM 653 NZ LYS A 52 22.152 -20.066 -18.653 1.00 11.13 N ATOM 0 H LYS A 52 17.948 -20.913 -14.454 1.00 42.43 H new ATOM 0 HA LYS A 52 19.800 -22.734 -15.829 1.00 73.03 H new ATOM 0 HB2 LYS A 52 20.418 -20.142 -15.907 1.00 13.23 H new ATOM 0 HB3 LYS A 52 20.895 -20.420 -14.244 1.00 13.23 H new ATOM 0 HG2 LYS A 52 22.839 -20.689 -15.640 1.00 50.04 H new ATOM 0 HG3 LYS A 52 22.401 -22.264 -15.010 1.00 50.04 H new ATOM 0 HD2 LYS A 52 22.270 -23.060 -17.110 1.00 64.13 H new ATOM 0 HD3 LYS A 52 20.946 -21.960 -17.438 1.00 64.13 H new ATOM 0 HE2 LYS A 52 23.752 -20.874 -17.525 1.00 62.22 H new ATOM 0 HE3 LYS A 52 23.215 -21.887 -18.851 1.00 62.22 H new ATOM 0 HZ1 LYS A 52 22.790 -19.559 -19.299 1.00 11.13 H new ATOM 0 HZ2 LYS A 52 21.322 -20.404 -19.181 1.00 11.13 H new ATOM 0 HZ3 LYS A 52 21.843 -19.423 -17.897 1.00 11.13 H new ATOM 667 N LYS A 53 18.788 -23.511 -13.411 1.00 75.42 N ATOM 668 CA LYS A 53 18.754 -24.213 -12.134 1.00 23.44 C ATOM 669 C LYS A 53 18.070 -25.569 -12.275 1.00 74.04 C ATOM 670 O LYS A 53 17.619 -25.937 -13.360 1.00 50.14 O ATOM 671 CB LYS A 53 18.027 -23.370 -11.084 1.00 22.23 C ATOM 672 CG LYS A 53 16.565 -23.122 -11.410 1.00 14.43 C ATOM 673 CD LYS A 53 16.293 -21.649 -11.669 1.00 25.13 C ATOM 674 CE LYS A 53 15.076 -21.455 -12.559 1.00 50.15 C ATOM 675 NZ LYS A 53 14.549 -20.064 -12.483 1.00 63.04 N ATOM 0 H LYS A 53 18.032 -23.760 -14.049 1.00 75.42 H new ATOM 0 HA LYS A 53 19.782 -24.377 -11.811 1.00 23.44 H new ATOM 0 HB2 LYS A 53 18.095 -23.870 -10.118 1.00 22.23 H new ATOM 0 HB3 LYS A 53 18.536 -22.411 -10.984 1.00 22.23 H new ATOM 0 HG2 LYS A 53 16.283 -23.705 -12.287 1.00 14.43 H new ATOM 0 HG3 LYS A 53 15.943 -23.468 -10.584 1.00 14.43 H new ATOM 0 HD2 LYS A 53 16.137 -21.135 -10.721 1.00 25.13 H new ATOM 0 HD3 LYS A 53 17.165 -21.194 -12.139 1.00 25.13 H new ATOM 0 HE2 LYS A 53 15.340 -21.687 -13.591 1.00 50.15 H new ATOM 0 HE3 LYS A 53 14.295 -22.156 -12.264 1.00 50.15 H new ATOM 0 HZ1 LYS A 53 13.720 -19.973 -13.104 1.00 63.04 H new ATOM 0 HZ2 LYS A 53 14.273 -19.850 -11.503 1.00 63.04 H new ATOM 0 HZ3 LYS A 53 15.286 -19.397 -12.789 1.00 63.04 H new ATOM 689 N ASP A 54 17.994 -26.307 -11.173 1.00 40.51 N ATOM 690 CA ASP A 54 17.362 -27.621 -11.174 1.00 53.42 C ATOM 691 C ASP A 54 15.961 -27.550 -10.575 1.00 13.03 C ATOM 692 O ASP A 54 15.466 -28.526 -10.011 1.00 4.32 O ATOM 693 CB ASP A 54 18.214 -28.621 -10.393 1.00 25.22 C ATOM 694 CG ASP A 54 19.580 -28.830 -11.017 1.00 42.40 C ATOM 695 OD1 ASP A 54 20.558 -28.233 -10.519 1.00 21.44 O ATOM 696 OD2 ASP A 54 19.672 -29.590 -12.003 1.00 55.34 O ATOM 0 H ASP A 54 18.362 -26.017 -10.267 1.00 40.51 H new ATOM 0 HA ASP A 54 17.279 -27.956 -12.208 1.00 53.42 H new ATOM 0 HB2 ASP A 54 18.336 -28.268 -9.369 1.00 25.22 H new ATOM 0 HB3 ASP A 54 17.692 -29.576 -10.341 1.00 25.22 H new ATOM 701 N ALA A 55 15.327 -26.389 -10.700 1.00 11.42 N ATOM 702 CA ALA A 55 13.983 -26.191 -10.171 1.00 51.13 C ATOM 703 C ALA A 55 12.986 -25.919 -11.293 1.00 63.31 C ATOM 704 O ALA A 55 13.354 -25.536 -12.404 1.00 3.23 O ATOM 705 CB ALA A 55 13.974 -25.049 -9.166 1.00 53.44 C ATOM 0 H ALA A 55 15.723 -25.571 -11.163 1.00 11.42 H new ATOM 0 HA ALA A 55 13.680 -27.108 -9.665 1.00 51.13 H new ATOM 0 HB1 ALA A 55 12.964 -24.913 -8.779 1.00 53.44 H new ATOM 0 HB2 ALA A 55 14.649 -25.283 -8.343 1.00 53.44 H new ATOM 0 HB3 ALA A 55 14.302 -24.132 -9.655 1.00 53.44 H new ATOM 711 N PRO A 56 11.693 -26.123 -10.999 1.00 45.52 N ATOM 712 CA PRO A 56 10.617 -25.906 -11.971 1.00 3.53 C ATOM 713 C PRO A 56 10.414 -24.428 -12.290 1.00 72.51 C ATOM 714 O PRO A 56 10.938 -23.544 -11.612 1.00 74.13 O ATOM 715 CB PRO A 56 9.383 -26.475 -11.266 1.00 65.33 C ATOM 716 CG PRO A 56 9.697 -26.376 -9.813 1.00 64.53 C ATOM 717 CD PRO A 56 11.183 -26.579 -9.696 1.00 33.22 C ATOM 0 HA PRO A 56 10.832 -26.377 -12.930 1.00 3.53 H new ATOM 0 HB2 PRO A 56 8.487 -25.907 -11.517 1.00 65.33 H new ATOM 0 HB3 PRO A 56 9.199 -27.508 -11.562 1.00 65.33 H new ATOM 0 HG2 PRO A 56 9.403 -25.404 -9.416 1.00 64.53 H new ATOM 0 HG3 PRO A 56 9.154 -27.131 -9.244 1.00 64.53 H new ATOM 0 HD2 PRO A 56 11.604 -26.000 -8.874 1.00 33.22 H new ATOM 0 HD3 PRO A 56 11.432 -27.624 -9.510 1.00 33.22 H new ATOM 725 N PRO A 57 9.635 -24.153 -13.346 1.00 53.55 N ATOM 726 CA PRO A 57 9.343 -22.782 -13.779 1.00 23.52 C ATOM 727 C PRO A 57 8.441 -22.044 -12.796 1.00 72.13 C ATOM 728 O PRO A 57 7.225 -22.236 -12.792 1.00 24.20 O ATOM 729 CB PRO A 57 8.629 -22.978 -15.118 1.00 51.44 C ATOM 730 CG PRO A 57 8.030 -24.339 -15.034 1.00 24.23 C ATOM 731 CD PRO A 57 8.978 -25.157 -14.200 1.00 13.22 C ATOM 0 HA PRO A 57 10.245 -22.174 -13.847 1.00 23.52 H new ATOM 0 HB2 PRO A 57 7.863 -22.218 -15.273 1.00 51.44 H new ATOM 0 HB3 PRO A 57 9.326 -22.903 -15.953 1.00 51.44 H new ATOM 0 HG2 PRO A 57 7.041 -24.303 -14.578 1.00 24.23 H new ATOM 0 HG3 PRO A 57 7.908 -24.774 -16.026 1.00 24.23 H new ATOM 0 HD2 PRO A 57 8.450 -25.904 -13.608 1.00 13.22 H new ATOM 0 HD3 PRO A 57 9.699 -25.692 -14.819 1.00 13.22 H new ATOM 739 N GLU A 58 9.044 -21.199 -11.966 1.00 32.11 N ATOM 740 CA GLU A 58 8.293 -20.432 -10.979 1.00 33.53 C ATOM 741 C GLU A 58 7.959 -19.041 -11.509 1.00 72.35 C ATOM 742 O GLU A 58 6.854 -18.537 -11.309 1.00 32.43 O ATOM 743 CB GLU A 58 9.089 -20.316 -9.677 1.00 73.32 C ATOM 744 CG GLU A 58 8.473 -19.360 -8.670 1.00 54.32 C ATOM 745 CD GLU A 58 8.898 -19.659 -7.246 1.00 13.23 C ATOM 746 OE1 GLU A 58 8.145 -20.360 -6.538 1.00 23.53 O ATOM 747 OE2 GLU A 58 9.982 -19.191 -6.839 1.00 32.41 O ATOM 0 H GLU A 58 10.050 -21.028 -11.957 1.00 32.11 H new ATOM 0 HA GLU A 58 7.360 -20.960 -10.781 1.00 33.53 H new ATOM 0 HB2 GLU A 58 9.173 -21.304 -9.223 1.00 73.32 H new ATOM 0 HB3 GLU A 58 10.101 -19.984 -9.908 1.00 73.32 H new ATOM 0 HG2 GLU A 58 8.758 -18.339 -8.923 1.00 54.32 H new ATOM 0 HG3 GLU A 58 7.387 -19.415 -8.740 1.00 54.32 H new ATOM 754 N SER A 59 8.922 -18.426 -12.187 1.00 44.13 N ATOM 755 CA SER A 59 8.733 -17.091 -12.744 1.00 23.35 C ATOM 756 C SER A 59 8.125 -17.166 -14.141 1.00 30.24 C ATOM 757 O SER A 59 8.105 -18.227 -14.765 1.00 23.11 O ATOM 758 CB SER A 59 10.067 -16.344 -12.795 1.00 40.41 C ATOM 759 OG SER A 59 11.056 -17.011 -12.030 1.00 72.14 O ATOM 0 H SER A 59 9.841 -18.830 -12.364 1.00 44.13 H new ATOM 0 HA SER A 59 8.045 -16.548 -12.096 1.00 23.35 H new ATOM 0 HB2 SER A 59 10.400 -16.258 -13.829 1.00 40.41 H new ATOM 0 HB3 SER A 59 9.934 -15.330 -12.418 1.00 40.41 H new ATOM 0 HG SER A 59 11.899 -16.514 -12.081 1.00 72.14 H new ATOM 765 N ARG A 60 7.629 -16.032 -14.625 1.00 23.11 N ATOM 766 CA ARG A 60 7.019 -15.968 -15.947 1.00 71.23 C ATOM 767 C ARG A 60 7.965 -15.317 -16.952 1.00 21.31 C ATOM 768 O ARG A 60 8.304 -14.140 -16.830 1.00 52.51 O ATOM 769 CB ARG A 60 5.705 -15.188 -15.889 1.00 14.44 C ATOM 770 CG ARG A 60 4.754 -15.677 -14.808 1.00 55.45 C ATOM 771 CD ARG A 60 4.116 -17.004 -15.187 1.00 72.21 C ATOM 772 NE ARG A 60 3.378 -17.594 -14.073 1.00 71.35 N ATOM 773 CZ ARG A 60 2.949 -18.852 -14.060 1.00 3.51 C ATOM 774 NH1 ARG A 60 3.184 -19.647 -15.094 1.00 44.35 N ATOM 775 NH2 ARG A 60 2.284 -19.316 -13.010 1.00 5.24 N ATOM 0 H ARG A 60 7.638 -15.145 -14.121 1.00 23.11 H new ATOM 0 HA ARG A 60 6.814 -16.987 -16.274 1.00 71.23 H new ATOM 0 HB2 ARG A 60 5.925 -14.134 -15.718 1.00 14.44 H new ATOM 0 HB3 ARG A 60 5.208 -15.257 -16.857 1.00 14.44 H new ATOM 0 HG2 ARG A 60 5.295 -15.787 -13.868 1.00 55.45 H new ATOM 0 HG3 ARG A 60 3.976 -14.932 -14.642 1.00 55.45 H new ATOM 0 HD2 ARG A 60 3.441 -16.854 -16.030 1.00 72.21 H new ATOM 0 HD3 ARG A 60 4.890 -17.697 -15.517 1.00 72.21 H new ATOM 0 HE ARG A 60 3.181 -17.009 -13.261 1.00 71.35 H new ATOM 0 HH11 ARG A 60 3.695 -19.294 -15.903 1.00 44.35 H new ATOM 0 HH12 ARG A 60 2.853 -20.612 -15.081 1.00 44.35 H new ATOM 0 HH21 ARG A 60 2.102 -18.707 -12.212 1.00 5.24 H new ATOM 0 HH22 ARG A 60 1.955 -20.281 -13.001 1.00 5.24 H new ATOM 789 N THR A 61 8.390 -16.092 -17.945 1.00 74.14 N ATOM 790 CA THR A 61 9.298 -15.592 -18.970 1.00 33.41 C ATOM 791 C THR A 61 8.612 -15.533 -20.330 1.00 44.53 C ATOM 792 O THR A 61 8.365 -16.562 -20.959 1.00 23.13 O ATOM 793 CB THR A 61 10.558 -16.471 -19.081 1.00 31.21 C ATOM 794 OG1 THR A 61 11.315 -16.099 -20.238 1.00 14.30 O ATOM 795 CG2 THR A 61 10.185 -17.944 -19.165 1.00 0.41 C ATOM 0 H THR A 61 8.120 -17.069 -18.061 1.00 74.14 H new ATOM 0 HA THR A 61 9.591 -14.586 -18.670 1.00 33.41 H new ATOM 0 HB THR A 61 11.162 -16.316 -18.187 1.00 31.21 H new ATOM 0 HG1 THR A 61 12.207 -16.501 -20.188 1.00 14.30 H new ATOM 0 HG21 THR A 61 11.091 -18.545 -19.243 1.00 0.41 H new ATOM 0 HG22 THR A 61 9.635 -18.232 -18.269 1.00 0.41 H new ATOM 0 HG23 THR A 61 9.562 -18.112 -20.043 1.00 0.41 H new ATOM 803 N LYS A 62 8.308 -14.320 -20.781 1.00 74.42 N ATOM 804 CA LYS A 62 7.652 -14.125 -22.069 1.00 2.01 C ATOM 805 C LYS A 62 8.235 -12.919 -22.799 1.00 25.41 C ATOM 806 O LYS A 62 8.818 -12.019 -22.194 1.00 21.22 O ATOM 807 CB LYS A 62 6.146 -13.937 -21.874 1.00 71.03 C ATOM 808 CG LYS A 62 5.791 -13.047 -20.696 1.00 42.51 C ATOM 809 CD LYS A 62 5.467 -13.864 -19.457 1.00 73.01 C ATOM 810 CE LYS A 62 4.060 -14.438 -19.521 1.00 34.11 C ATOM 811 NZ LYS A 62 4.065 -15.882 -19.887 1.00 5.50 N ATOM 0 H LYS A 62 8.505 -13.457 -20.274 1.00 74.42 H new ATOM 0 HA LYS A 62 7.826 -15.014 -22.675 1.00 2.01 H new ATOM 0 HB2 LYS A 62 5.721 -13.510 -22.782 1.00 71.03 H new ATOM 0 HB3 LYS A 62 5.682 -14.913 -21.734 1.00 71.03 H new ATOM 0 HG2 LYS A 62 6.623 -12.375 -20.483 1.00 42.51 H new ATOM 0 HG3 LYS A 62 4.936 -12.423 -20.955 1.00 42.51 H new ATOM 0 HD2 LYS A 62 6.188 -14.675 -19.356 1.00 73.01 H new ATOM 0 HD3 LYS A 62 5.566 -13.238 -18.571 1.00 73.01 H new ATOM 0 HE2 LYS A 62 3.572 -14.310 -18.555 1.00 34.11 H new ATOM 0 HE3 LYS A 62 3.473 -13.880 -20.251 1.00 34.11 H new ATOM 0 HZ1 LYS A 62 3.255 -16.357 -19.439 1.00 5.50 H new ATOM 0 HZ2 LYS A 62 3.994 -15.979 -20.920 1.00 5.50 H new ATOM 0 HZ3 LYS A 62 4.949 -16.320 -19.558 1.00 5.50 H new ATOM 825 N PRO A 63 8.075 -12.898 -24.130 1.00 63.34 N ATOM 826 CA PRO A 63 8.578 -11.807 -24.971 1.00 35.40 C ATOM 827 C PRO A 63 7.805 -10.510 -24.759 1.00 41.23 C ATOM 828 O PRO A 63 8.273 -9.431 -25.124 1.00 21.21 O ATOM 829 CB PRO A 63 8.366 -12.330 -26.394 1.00 54.31 C ATOM 830 CG PRO A 63 7.249 -13.308 -26.276 1.00 75.31 C ATOM 831 CD PRO A 63 7.391 -13.938 -24.918 1.00 2.31 C ATOM 0 HA PRO A 63 9.615 -11.561 -24.743 1.00 35.40 H new ATOM 0 HB2 PRO A 63 8.113 -11.521 -27.079 1.00 54.31 H new ATOM 0 HB3 PRO A 63 9.268 -12.804 -26.780 1.00 54.31 H new ATOM 0 HG2 PRO A 63 6.284 -12.812 -26.377 1.00 75.31 H new ATOM 0 HG3 PRO A 63 7.304 -14.060 -27.063 1.00 75.31 H new ATOM 0 HD2 PRO A 63 6.422 -14.194 -24.490 1.00 2.31 H new ATOM 0 HD3 PRO A 63 7.974 -14.858 -24.961 1.00 2.31 H new ATOM 839 N SER A 64 6.620 -10.622 -24.168 1.00 2.45 N ATOM 840 CA SER A 64 5.781 -9.457 -23.910 1.00 43.13 C ATOM 841 C SER A 64 6.564 -8.377 -23.169 1.00 34.00 C ATOM 842 O SER A 64 7.485 -8.673 -22.408 1.00 32.31 O ATOM 843 CB SER A 64 4.549 -9.859 -23.097 1.00 42.03 C ATOM 844 OG SER A 64 3.918 -10.998 -23.657 1.00 4.21 O ATOM 0 H SER A 64 6.219 -11.507 -23.859 1.00 2.45 H new ATOM 0 HA SER A 64 5.458 -9.053 -24.869 1.00 43.13 H new ATOM 0 HB2 SER A 64 4.841 -10.070 -22.068 1.00 42.03 H new ATOM 0 HB3 SER A 64 3.844 -9.028 -23.064 1.00 42.03 H new ATOM 0 HG SER A 64 3.135 -11.236 -23.118 1.00 4.21 H new ATOM 850 N VAL A 65 6.189 -7.122 -23.397 1.00 64.13 N ATOM 851 CA VAL A 65 6.854 -5.997 -22.751 1.00 41.42 C ATOM 852 C VAL A 65 5.993 -5.417 -21.635 1.00 53.30 C ATOM 853 O VAL A 65 4.764 -5.456 -21.701 1.00 12.35 O ATOM 854 CB VAL A 65 7.182 -4.883 -23.763 1.00 4.41 C ATOM 855 CG1 VAL A 65 8.198 -5.371 -24.785 1.00 32.24 C ATOM 856 CG2 VAL A 65 5.915 -4.396 -24.449 1.00 72.32 C ATOM 0 H VAL A 65 5.429 -6.859 -24.024 1.00 64.13 H new ATOM 0 HA VAL A 65 7.783 -6.379 -22.328 1.00 41.42 H new ATOM 0 HB VAL A 65 7.621 -4.044 -23.223 1.00 4.41 H new ATOM 0 HG11 VAL A 65 8.417 -4.570 -25.491 1.00 32.24 H new ATOM 0 HG12 VAL A 65 9.115 -5.665 -24.275 1.00 32.24 H new ATOM 0 HG13 VAL A 65 7.791 -6.227 -25.322 1.00 32.24 H new ATOM 0 HG21 VAL A 65 6.166 -3.609 -25.160 1.00 72.32 H new ATOM 0 HG22 VAL A 65 5.445 -5.226 -24.977 1.00 72.32 H new ATOM 0 HG23 VAL A 65 5.225 -4.003 -23.702 1.00 72.32 H new ATOM 866 N PHE A 66 6.645 -4.878 -20.610 1.00 64.24 N ATOM 867 CA PHE A 66 5.939 -4.290 -19.478 1.00 43.23 C ATOM 868 C PHE A 66 6.063 -2.769 -19.491 1.00 51.11 C ATOM 869 O PHE A 66 7.158 -2.225 -19.636 1.00 53.14 O ATOM 870 CB PHE A 66 6.488 -4.846 -18.163 1.00 32.32 C ATOM 871 CG PHE A 66 6.629 -6.342 -18.157 1.00 14.42 C ATOM 872 CD1 PHE A 66 7.795 -6.939 -17.707 1.00 60.23 C ATOM 873 CD2 PHE A 66 5.595 -7.150 -18.601 1.00 55.33 C ATOM 874 CE1 PHE A 66 7.928 -8.315 -17.700 1.00 73.02 C ATOM 875 CE2 PHE A 66 5.721 -8.526 -18.596 1.00 43.00 C ATOM 876 CZ PHE A 66 6.890 -9.109 -18.146 1.00 73.31 C ATOM 0 H PHE A 66 7.662 -4.836 -20.540 1.00 64.24 H new ATOM 0 HA PHE A 66 4.884 -4.552 -19.563 1.00 43.23 H new ATOM 0 HB2 PHE A 66 7.461 -4.397 -17.966 1.00 32.32 H new ATOM 0 HB3 PHE A 66 5.828 -4.548 -17.348 1.00 32.32 H new ATOM 0 HD1 PHE A 66 8.610 -6.322 -17.357 1.00 60.23 H new ATOM 0 HD2 PHE A 66 4.680 -6.699 -18.955 1.00 55.33 H new ATOM 0 HE1 PHE A 66 8.842 -8.768 -17.346 1.00 73.02 H new ATOM 0 HE2 PHE A 66 4.907 -9.145 -18.943 1.00 43.00 H new ATOM 0 HZ PHE A 66 6.992 -10.184 -18.143 1.00 73.31 H new ATOM 886 N VAL A 67 4.932 -2.088 -19.338 1.00 54.14 N ATOM 887 CA VAL A 67 4.912 -0.630 -19.332 1.00 32.03 C ATOM 888 C VAL A 67 4.155 -0.096 -18.120 1.00 63.35 C ATOM 889 O VAL A 67 3.071 -0.577 -17.791 1.00 22.35 O ATOM 890 CB VAL A 67 4.266 -0.072 -20.614 1.00 10.44 C ATOM 891 CG1 VAL A 67 5.079 -0.466 -21.837 1.00 4.11 C ATOM 892 CG2 VAL A 67 2.829 -0.555 -20.740 1.00 22.10 C ATOM 0 H VAL A 67 4.017 -2.523 -19.217 1.00 54.14 H new ATOM 0 HA VAL A 67 5.949 -0.299 -19.284 1.00 32.03 H new ATOM 0 HB VAL A 67 4.255 1.016 -20.550 1.00 10.44 H new ATOM 0 HG11 VAL A 67 4.607 -0.063 -22.733 1.00 4.11 H new ATOM 0 HG12 VAL A 67 6.089 -0.065 -21.747 1.00 4.11 H new ATOM 0 HG13 VAL A 67 5.125 -1.553 -21.909 1.00 4.11 H new ATOM 0 HG21 VAL A 67 2.388 -0.151 -21.651 1.00 22.10 H new ATOM 0 HG22 VAL A 67 2.814 -1.644 -20.781 1.00 22.10 H new ATOM 0 HG23 VAL A 67 2.254 -0.216 -19.878 1.00 22.10 H new ATOM 902 N VAL A 68 4.734 0.902 -17.461 1.00 2.11 N ATOM 903 CA VAL A 68 4.114 1.503 -16.286 1.00 41.53 C ATOM 904 C VAL A 68 3.779 2.970 -16.532 1.00 52.20 C ATOM 905 O VAL A 68 4.668 3.793 -16.751 1.00 11.33 O ATOM 906 CB VAL A 68 5.029 1.397 -15.052 1.00 44.30 C ATOM 907 CG1 VAL A 68 4.362 2.024 -13.837 1.00 24.51 C ATOM 908 CG2 VAL A 68 5.393 -0.055 -14.782 1.00 14.01 C ATOM 0 H VAL A 68 5.631 1.312 -17.721 1.00 2.11 H new ATOM 0 HA VAL A 68 3.194 0.950 -16.095 1.00 41.53 H new ATOM 0 HB VAL A 68 5.949 1.946 -15.255 1.00 44.30 H new ATOM 0 HG11 VAL A 68 5.023 1.940 -12.975 1.00 24.51 H new ATOM 0 HG12 VAL A 68 4.158 3.076 -14.036 1.00 24.51 H new ATOM 0 HG13 VAL A 68 3.426 1.506 -13.628 1.00 24.51 H new ATOM 0 HG21 VAL A 68 6.040 -0.111 -13.907 1.00 14.01 H new ATOM 0 HG22 VAL A 68 4.485 -0.630 -14.600 1.00 14.01 H new ATOM 0 HG23 VAL A 68 5.915 -0.466 -15.646 1.00 14.01 H new ATOM 918 N PHE A 69 2.490 3.291 -16.494 1.00 52.12 N ATOM 919 CA PHE A 69 2.036 4.660 -16.713 1.00 71.54 C ATOM 920 C PHE A 69 2.156 5.484 -15.435 1.00 35.43 C ATOM 921 O PHE A 69 2.004 4.962 -14.331 1.00 73.21 O ATOM 922 CB PHE A 69 0.587 4.666 -17.204 1.00 54.21 C ATOM 923 CG PHE A 69 0.396 3.970 -18.521 1.00 64.41 C ATOM 924 CD1 PHE A 69 0.213 2.597 -18.574 1.00 11.32 C ATOM 925 CD2 PHE A 69 0.402 4.687 -19.706 1.00 53.14 C ATOM 926 CE1 PHE A 69 0.037 1.953 -19.784 1.00 42.11 C ATOM 927 CE2 PHE A 69 0.226 4.049 -20.919 1.00 61.55 C ATOM 928 CZ PHE A 69 0.045 2.680 -20.958 1.00 71.35 C ATOM 0 H PHE A 69 1.741 2.622 -16.314 1.00 52.12 H new ATOM 0 HA PHE A 69 2.672 5.110 -17.475 1.00 71.54 H new ATOM 0 HB2 PHE A 69 -0.044 4.188 -16.455 1.00 54.21 H new ATOM 0 HB3 PHE A 69 0.247 5.698 -17.295 1.00 54.21 H new ATOM 0 HD1 PHE A 69 0.208 2.024 -17.659 1.00 11.32 H new ATOM 0 HD2 PHE A 69 0.546 5.757 -19.682 1.00 53.14 H new ATOM 0 HE1 PHE A 69 -0.107 0.883 -19.811 1.00 42.11 H new ATOM 0 HE2 PHE A 69 0.230 4.620 -21.836 1.00 61.55 H new ATOM 0 HZ PHE A 69 -0.090 2.179 -21.905 1.00 71.35 H new ATOM 938 N ASN A 70 2.430 6.774 -15.593 1.00 55.42 N ATOM 939 CA ASN A 70 2.571 7.671 -14.452 1.00 41.51 C ATOM 940 C ASN A 70 1.217 8.237 -14.034 1.00 3.14 C ATOM 941 O ASN A 70 0.903 8.308 -12.846 1.00 2.15 O ATOM 942 CB ASN A 70 3.531 8.814 -14.791 1.00 30.22 C ATOM 943 CG ASN A 70 3.912 9.630 -13.571 1.00 15.22 C ATOM 944 OD1 ASN A 70 4.709 9.193 -12.741 1.00 62.45 O ATOM 945 ND2 ASN A 70 3.341 10.824 -13.456 1.00 74.41 N ATOM 0 H ASN A 70 2.559 7.222 -16.500 1.00 55.42 H new ATOM 0 HA ASN A 70 2.978 7.098 -13.619 1.00 41.51 H new ATOM 0 HB2 ASN A 70 4.432 8.405 -15.247 1.00 30.22 H new ATOM 0 HB3 ASN A 70 3.068 9.467 -15.531 1.00 30.22 H new ATOM 0 HD21 ASN A 70 3.558 11.418 -12.656 1.00 74.41 H new ATOM 0 HD22 ASN A 70 2.686 11.147 -14.168 1.00 74.41 H new ATOM 952 N SER A 71 0.420 8.638 -15.018 1.00 75.23 N ATOM 953 CA SER A 71 -0.899 9.200 -14.753 1.00 14.23 C ATOM 954 C SER A 71 -1.914 8.096 -14.471 1.00 50.10 C ATOM 955 O SER A 71 -2.045 7.146 -15.243 1.00 41.41 O ATOM 956 CB SER A 71 -1.365 10.046 -15.940 1.00 31.43 C ATOM 957 OG SER A 71 -0.305 10.269 -16.853 1.00 54.35 O ATOM 0 H SER A 71 0.664 8.584 -16.007 1.00 75.23 H new ATOM 0 HA SER A 71 -0.825 9.835 -13.870 1.00 14.23 H new ATOM 0 HB2 SER A 71 -2.188 9.543 -16.448 1.00 31.43 H new ATOM 0 HB3 SER A 71 -1.748 11.002 -15.582 1.00 31.43 H new ATOM 0 HG SER A 71 -0.628 10.810 -17.603 1.00 54.35 H new ATOM 963 N SER A 72 -2.630 8.229 -13.359 1.00 20.30 N ATOM 964 CA SER A 72 -3.631 7.241 -12.972 1.00 3.32 C ATOM 965 C SER A 72 -4.705 7.107 -14.046 1.00 73.34 C ATOM 966 O SER A 72 -5.039 6.001 -14.470 1.00 30.54 O ATOM 967 CB SER A 72 -4.272 7.630 -11.639 1.00 14.14 C ATOM 968 OG SER A 72 -5.012 8.832 -11.760 1.00 55.54 O ATOM 0 H SER A 72 -2.536 9.011 -12.710 1.00 20.30 H new ATOM 0 HA SER A 72 -3.132 6.278 -12.860 1.00 3.32 H new ATOM 0 HB2 SER A 72 -4.928 6.828 -11.300 1.00 14.14 H new ATOM 0 HB3 SER A 72 -3.498 7.751 -10.881 1.00 14.14 H new ATOM 0 HG SER A 72 -5.413 9.058 -10.895 1.00 55.54 H new ATOM 974 N GLU A 73 -5.243 8.242 -14.483 1.00 24.24 N ATOM 975 CA GLU A 73 -6.280 8.251 -15.507 1.00 71.22 C ATOM 976 C GLU A 73 -5.799 7.550 -16.775 1.00 12.23 C ATOM 977 O GLU A 73 -6.383 6.556 -17.206 1.00 2.43 O ATOM 978 CB GLU A 73 -6.695 9.687 -15.831 1.00 52.35 C ATOM 979 CG GLU A 73 -8.193 9.925 -15.734 1.00 22.12 C ATOM 980 CD GLU A 73 -8.593 11.316 -16.184 1.00 53.40 C ATOM 981 OE1 GLU A 73 -9.720 11.744 -15.856 1.00 1.23 O ATOM 982 OE2 GLU A 73 -7.781 11.977 -16.864 1.00 52.24 O ATOM 0 H GLU A 73 -4.977 9.166 -14.143 1.00 24.24 H new ATOM 0 HA GLU A 73 -7.143 7.710 -15.119 1.00 71.22 H new ATOM 0 HB2 GLU A 73 -6.183 10.367 -15.150 1.00 52.35 H new ATOM 0 HB3 GLU A 73 -6.361 9.934 -16.839 1.00 52.35 H new ATOM 0 HG2 GLU A 73 -8.715 9.186 -16.343 1.00 22.12 H new ATOM 0 HG3 GLU A 73 -8.515 9.774 -14.704 1.00 22.12 H new ATOM 989 N GLU A 74 -4.732 8.077 -17.366 1.00 44.02 N ATOM 990 CA GLU A 74 -4.173 7.503 -18.585 1.00 13.11 C ATOM 991 C GLU A 74 -3.839 6.027 -18.388 1.00 14.11 C ATOM 992 O GLU A 74 -3.962 5.223 -19.312 1.00 11.53 O ATOM 993 CB GLU A 74 -2.918 8.269 -19.007 1.00 40.24 C ATOM 994 CG GLU A 74 -2.869 8.585 -20.493 1.00 25.31 C ATOM 995 CD GLU A 74 -3.623 9.852 -20.846 1.00 21.14 C ATOM 996 OE1 GLU A 74 -4.057 10.562 -19.914 1.00 60.22 O ATOM 997 OE2 GLU A 74 -3.780 10.134 -22.052 1.00 25.41 O ATOM 0 H GLU A 74 -4.237 8.900 -17.021 1.00 44.02 H new ATOM 0 HA GLU A 74 -4.923 7.586 -19.372 1.00 13.11 H new ATOM 0 HB2 GLU A 74 -2.865 9.201 -18.444 1.00 40.24 H new ATOM 0 HB3 GLU A 74 -2.038 7.684 -18.739 1.00 40.24 H new ATOM 0 HG2 GLU A 74 -1.829 8.687 -20.805 1.00 25.31 H new ATOM 0 HG3 GLU A 74 -3.289 7.749 -21.052 1.00 25.31 H new ATOM 1004 N ALA A 75 -3.416 5.679 -17.177 1.00 73.22 N ATOM 1005 CA ALA A 75 -3.066 4.300 -16.858 1.00 0.54 C ATOM 1006 C ALA A 75 -4.274 3.381 -16.997 1.00 32.42 C ATOM 1007 O ALA A 75 -4.193 2.326 -17.626 1.00 52.43 O ATOM 1008 CB ALA A 75 -2.494 4.214 -15.451 1.00 3.05 C ATOM 0 H ALA A 75 -3.307 6.332 -16.401 1.00 73.22 H new ATOM 0 HA ALA A 75 -2.308 3.969 -17.568 1.00 0.54 H new ATOM 0 HB1 ALA A 75 -2.237 3.179 -15.225 1.00 3.05 H new ATOM 0 HB2 ALA A 75 -1.599 4.833 -15.383 1.00 3.05 H new ATOM 0 HB3 ALA A 75 -3.235 4.568 -14.735 1.00 3.05 H new ATOM 1014 N GLU A 76 -5.393 3.787 -16.405 1.00 21.24 N ATOM 1015 CA GLU A 76 -6.617 2.997 -16.462 1.00 72.23 C ATOM 1016 C GLU A 76 -7.146 2.916 -17.891 1.00 42.15 C ATOM 1017 O GLU A 76 -7.581 1.858 -18.345 1.00 22.12 O ATOM 1018 CB GLU A 76 -7.684 3.600 -15.546 1.00 5.32 C ATOM 1019 CG GLU A 76 -7.556 3.167 -14.095 1.00 63.52 C ATOM 1020 CD GLU A 76 -7.576 1.659 -13.933 1.00 63.01 C ATOM 1021 OE1 GLU A 76 -8.516 1.020 -14.450 1.00 33.12 O ATOM 1022 OE2 GLU A 76 -6.652 1.118 -13.290 1.00 50.40 O ATOM 0 H GLU A 76 -5.477 4.658 -15.881 1.00 21.24 H new ATOM 0 HA GLU A 76 -6.383 1.988 -16.121 1.00 72.23 H new ATOM 0 HB2 GLU A 76 -7.624 4.687 -15.599 1.00 5.32 H new ATOM 0 HB3 GLU A 76 -8.670 3.317 -15.915 1.00 5.32 H new ATOM 0 HG2 GLU A 76 -6.627 3.561 -13.683 1.00 63.52 H new ATOM 0 HG3 GLU A 76 -8.371 3.602 -13.517 1.00 63.52 H new ATOM 1029 N ALA A 77 -7.105 4.042 -18.596 1.00 11.43 N ATOM 1030 CA ALA A 77 -7.578 4.100 -19.973 1.00 71.32 C ATOM 1031 C ALA A 77 -6.836 3.098 -20.851 1.00 23.53 C ATOM 1032 O ALA A 77 -7.452 2.305 -21.563 1.00 71.03 O ATOM 1033 CB ALA A 77 -7.420 5.508 -20.527 1.00 73.14 C ATOM 0 H ALA A 77 -6.749 4.927 -18.235 1.00 11.43 H new ATOM 0 HA ALA A 77 -8.635 3.836 -19.979 1.00 71.32 H new ATOM 0 HB1 ALA A 77 -7.777 5.536 -21.556 1.00 73.14 H new ATOM 0 HB2 ALA A 77 -8.001 6.204 -19.922 1.00 73.14 H new ATOM 0 HB3 ALA A 77 -6.368 5.794 -20.500 1.00 73.14 H new ATOM 1039 N PHE A 78 -5.509 3.138 -20.795 1.00 4.52 N ATOM 1040 CA PHE A 78 -4.682 2.235 -21.586 1.00 61.32 C ATOM 1041 C PHE A 78 -4.911 0.784 -21.171 1.00 42.31 C ATOM 1042 O PHE A 78 -4.995 -0.107 -22.015 1.00 65.23 O ATOM 1043 CB PHE A 78 -3.203 2.594 -21.430 1.00 42.23 C ATOM 1044 CG PHE A 78 -2.699 3.531 -22.490 1.00 42.34 C ATOM 1045 CD1 PHE A 78 -1.963 3.054 -23.563 1.00 72.20 C ATOM 1046 CD2 PHE A 78 -2.960 4.890 -22.414 1.00 32.12 C ATOM 1047 CE1 PHE A 78 -1.498 3.913 -24.540 1.00 52.45 C ATOM 1048 CE2 PHE A 78 -2.498 5.754 -23.388 1.00 52.14 C ATOM 1049 CZ PHE A 78 -1.765 5.266 -24.452 1.00 73.53 C ATOM 0 H PHE A 78 -4.983 3.787 -20.209 1.00 4.52 H new ATOM 0 HA PHE A 78 -4.967 2.345 -22.632 1.00 61.32 H new ATOM 0 HB2 PHE A 78 -3.049 3.049 -20.451 1.00 42.23 H new ATOM 0 HB3 PHE A 78 -2.611 1.679 -21.453 1.00 42.23 H new ATOM 0 HD1 PHE A 78 -1.750 1.998 -23.636 1.00 72.20 H new ATOM 0 HD2 PHE A 78 -3.531 5.278 -21.584 1.00 32.12 H new ATOM 0 HE1 PHE A 78 -0.927 3.528 -25.371 1.00 52.45 H new ATOM 0 HE2 PHE A 78 -2.710 6.811 -23.317 1.00 52.14 H new ATOM 0 HZ PHE A 78 -1.401 5.940 -25.213 1.00 73.53 H new ATOM 1059 N GLN A 79 -5.010 0.557 -19.865 1.00 54.43 N ATOM 1060 CA GLN A 79 -5.228 -0.784 -19.338 1.00 31.40 C ATOM 1061 C GLN A 79 -6.490 -1.404 -19.930 1.00 10.33 C ATOM 1062 O GLN A 79 -6.497 -2.570 -20.323 1.00 23.54 O ATOM 1063 CB GLN A 79 -5.332 -0.745 -17.812 1.00 72.13 C ATOM 1064 CG GLN A 79 -4.267 -1.570 -17.108 1.00 43.34 C ATOM 1065 CD GLN A 79 -4.257 -1.352 -15.608 1.00 60.31 C ATOM 1066 OE1 GLN A 79 -5.152 -0.712 -15.056 1.00 52.12 O ATOM 1067 NE2 GLN A 79 -3.242 -1.886 -14.939 1.00 3.11 N ATOM 0 H GLN A 79 -4.943 1.284 -19.153 1.00 54.43 H new ATOM 0 HA GLN A 79 -4.375 -1.401 -19.621 1.00 31.40 H new ATOM 0 HB2 GLN A 79 -5.258 0.290 -17.478 1.00 72.13 H new ATOM 0 HB3 GLN A 79 -6.316 -1.107 -17.514 1.00 72.13 H new ATOM 0 HG2 GLN A 79 -4.434 -2.627 -17.317 1.00 43.34 H new ATOM 0 HG3 GLN A 79 -3.288 -1.316 -17.515 1.00 43.34 H new ATOM 0 HE21 GLN A 79 -2.522 -2.409 -15.437 1.00 3.11 H new ATOM 0 HE22 GLN A 79 -3.183 -1.773 -13.927 1.00 3.11 H new ATOM 1076 N LYS A 80 -7.558 -0.615 -19.990 1.00 63.11 N ATOM 1077 CA LYS A 80 -8.826 -1.084 -20.535 1.00 33.44 C ATOM 1078 C LYS A 80 -8.666 -1.523 -21.987 1.00 12.42 C ATOM 1079 O LYS A 80 -8.769 -2.708 -22.302 1.00 55.43 O ATOM 1080 CB LYS A 80 -9.885 0.016 -20.437 1.00 12.14 C ATOM 1081 CG LYS A 80 -11.263 -0.422 -20.903 1.00 22.13 C ATOM 1082 CD LYS A 80 -12.303 0.660 -20.664 1.00 24.24 C ATOM 1083 CE LYS A 80 -12.535 1.495 -21.913 1.00 51.32 C ATOM 1084 NZ LYS A 80 -12.126 2.914 -21.716 1.00 35.41 N ATOM 0 H LYS A 80 -7.570 0.353 -19.668 1.00 63.11 H new ATOM 0 HA LYS A 80 -9.149 -1.944 -19.948 1.00 33.44 H new ATOM 0 HB2 LYS A 80 -9.951 0.354 -19.403 1.00 12.14 H new ATOM 0 HB3 LYS A 80 -9.564 0.871 -21.032 1.00 12.14 H new ATOM 0 HG2 LYS A 80 -11.228 -0.666 -21.965 1.00 22.13 H new ATOM 0 HG3 LYS A 80 -11.554 -1.331 -20.376 1.00 22.13 H new ATOM 0 HD2 LYS A 80 -13.241 0.202 -20.352 1.00 24.24 H new ATOM 0 HD3 LYS A 80 -11.977 1.306 -19.849 1.00 24.24 H new ATOM 0 HE2 LYS A 80 -11.975 1.068 -22.745 1.00 51.32 H new ATOM 0 HE3 LYS A 80 -13.590 1.456 -22.185 1.00 51.32 H new ATOM 0 HZ1 LYS A 80 -12.300 3.450 -22.590 1.00 35.41 H new ATOM 0 HZ2 LYS A 80 -12.678 3.330 -20.939 1.00 35.41 H new ATOM 0 HZ3 LYS A 80 -11.114 2.954 -21.481 1.00 35.41 H new ATOM 1098 N ALA A 81 -8.412 -0.559 -22.866 1.00 72.24 N ATOM 1099 CA ALA A 81 -8.234 -0.847 -24.284 1.00 53.32 C ATOM 1100 C ALA A 81 -6.898 -0.314 -24.789 1.00 25.22 C ATOM 1101 O ALA A 81 -6.279 0.559 -24.179 1.00 35.31 O ATOM 1102 CB ALA A 81 -9.380 -0.253 -25.091 1.00 4.11 C ATOM 0 H ALA A 81 -8.325 0.427 -22.621 1.00 72.24 H new ATOM 0 HA ALA A 81 -8.236 -1.929 -24.412 1.00 53.32 H new ATOM 0 HB1 ALA A 81 -9.234 -0.476 -26.148 1.00 4.11 H new ATOM 0 HB2 ALA A 81 -10.323 -0.685 -24.756 1.00 4.11 H new ATOM 0 HB3 ALA A 81 -9.404 0.827 -24.948 1.00 4.11 H new ATOM 1108 N PRO A 82 -6.438 -0.851 -25.929 1.00 52.10 N ATOM 1109 CA PRO A 82 -5.169 -0.444 -26.541 1.00 34.45 C ATOM 1110 C PRO A 82 -5.228 0.967 -27.114 1.00 13.31 C ATOM 1111 O PRO A 82 -6.296 1.565 -27.248 1.00 75.45 O ATOM 1112 CB PRO A 82 -4.971 -1.469 -27.661 1.00 13.34 C ATOM 1113 CG PRO A 82 -6.346 -1.933 -27.997 1.00 33.12 C ATOM 1114 CD PRO A 82 -7.122 -1.895 -26.709 1.00 74.54 C ATOM 0 HA PRO A 82 -4.355 -0.422 -25.816 1.00 34.45 H new ATOM 0 HB2 PRO A 82 -4.482 -1.021 -28.526 1.00 13.34 H new ATOM 0 HB3 PRO A 82 -4.343 -2.297 -27.333 1.00 13.34 H new ATOM 0 HG2 PRO A 82 -6.803 -1.288 -28.747 1.00 33.12 H new ATOM 0 HG3 PRO A 82 -6.327 -2.941 -28.412 1.00 33.12 H new ATOM 0 HD2 PRO A 82 -8.170 -1.648 -26.879 1.00 74.54 H new ATOM 0 HD3 PRO A 82 -7.100 -2.858 -26.198 1.00 74.54 H new ATOM 1122 N PRO A 83 -4.054 1.515 -27.461 1.00 13.40 N ATOM 1123 CA PRO A 83 -3.946 2.863 -28.027 1.00 14.43 C ATOM 1124 C PRO A 83 -4.514 2.946 -29.439 1.00 52.35 C ATOM 1125 O PRO A 83 -5.079 3.967 -29.832 1.00 71.44 O ATOM 1126 CB PRO A 83 -2.438 3.123 -28.041 1.00 21.43 C ATOM 1127 CG PRO A 83 -1.821 1.768 -28.098 1.00 33.44 C ATOM 1128 CD PRO A 83 -2.742 0.861 -27.328 1.00 42.03 C ATOM 0 HA PRO A 83 -4.513 3.594 -27.450 1.00 14.43 H new ATOM 0 HB2 PRO A 83 -2.148 3.727 -28.901 1.00 21.43 H new ATOM 0 HB3 PRO A 83 -2.121 3.665 -27.150 1.00 21.43 H new ATOM 0 HG2 PRO A 83 -1.714 1.431 -29.129 1.00 33.44 H new ATOM 0 HG3 PRO A 83 -0.823 1.775 -27.659 1.00 33.44 H new ATOM 0 HD2 PRO A 83 -2.752 -0.147 -27.742 1.00 42.03 H new ATOM 0 HD3 PRO A 83 -2.440 0.774 -26.284 1.00 42.03 H new ATOM 1136 N MET A 84 -4.361 1.866 -30.198 1.00 43.13 N ATOM 1137 CA MET A 84 -4.860 1.817 -31.567 1.00 54.25 C ATOM 1138 C MET A 84 -4.162 2.856 -32.439 1.00 3.34 C ATOM 1139 O MET A 84 -4.575 4.015 -32.492 1.00 21.05 O ATOM 1140 CB MET A 84 -6.372 2.049 -31.590 1.00 14.41 C ATOM 1141 CG MET A 84 -7.165 0.843 -32.067 1.00 14.33 C ATOM 1142 SD MET A 84 -8.101 1.178 -33.571 1.00 72.01 S ATOM 1143 CE MET A 84 -8.051 -0.427 -34.365 1.00 14.12 C ATOM 0 H MET A 84 -3.895 1.013 -29.888 1.00 43.13 H new ATOM 0 HA MET A 84 -4.645 0.827 -31.970 1.00 54.25 H new ATOM 0 HB2 MET A 84 -6.705 2.319 -30.588 1.00 14.41 H new ATOM 0 HB3 MET A 84 -6.591 2.897 -32.238 1.00 14.41 H new ATOM 0 HG2 MET A 84 -6.483 0.012 -32.246 1.00 14.33 H new ATOM 0 HG3 MET A 84 -7.850 0.529 -31.280 1.00 14.33 H new ATOM 0 HE1 MET A 84 -8.590 -0.382 -35.312 1.00 14.12 H new ATOM 0 HE2 MET A 84 -7.015 -0.709 -34.550 1.00 14.12 H new ATOM 0 HE3 MET A 84 -8.518 -1.168 -33.717 1.00 14.12 H new ATOM 1153 N TYR A 85 -3.102 2.435 -33.119 1.00 61.34 N ATOM 1154 CA TYR A 85 -2.344 3.330 -33.986 1.00 35.11 C ATOM 1155 C TYR A 85 -2.379 2.846 -35.432 1.00 51.45 C ATOM 1156 O TYR A 85 -2.042 1.699 -35.723 1.00 62.34 O ATOM 1157 CB TYR A 85 -0.896 3.434 -33.506 1.00 21.32 C ATOM 1158 CG TYR A 85 -0.441 4.854 -33.256 1.00 70.10 C ATOM 1159 CD1 TYR A 85 0.051 5.238 -32.015 1.00 2.23 C ATOM 1160 CD2 TYR A 85 -0.504 5.812 -34.261 1.00 33.45 C ATOM 1161 CE1 TYR A 85 0.467 6.535 -31.781 1.00 63.25 C ATOM 1162 CE2 TYR A 85 -0.089 7.110 -34.037 1.00 31.12 C ATOM 1163 CZ TYR A 85 0.396 7.467 -32.796 1.00 33.32 C ATOM 1164 OH TYR A 85 0.809 8.759 -32.569 1.00 11.55 O ATOM 0 H TYR A 85 -2.748 1.479 -33.087 1.00 61.34 H new ATOM 0 HA TYR A 85 -2.806 4.316 -33.941 1.00 35.11 H new ATOM 0 HB2 TYR A 85 -0.785 2.859 -32.587 1.00 21.32 H new ATOM 0 HB3 TYR A 85 -0.242 2.977 -34.249 1.00 21.32 H new ATOM 0 HD1 TYR A 85 0.109 4.510 -31.219 1.00 2.23 H new ATOM 0 HD2 TYR A 85 -0.884 5.537 -35.234 1.00 33.45 H new ATOM 0 HE1 TYR A 85 0.845 6.817 -30.810 1.00 63.25 H new ATOM 0 HE2 TYR A 85 -0.144 7.842 -34.829 1.00 31.12 H new ATOM 0 HH TYR A 85 0.694 9.287 -33.386 1.00 11.55 H new ATOM 1174 N ASP A 86 -2.789 3.731 -36.335 1.00 61.31 N ATOM 1175 CA ASP A 86 -2.867 3.397 -37.752 1.00 63.45 C ATOM 1176 C ASP A 86 -1.529 2.866 -38.260 1.00 35.22 C ATOM 1177 O ASP A 86 -1.479 1.871 -38.983 1.00 33.53 O ATOM 1178 CB ASP A 86 -3.284 4.623 -38.565 1.00 52.03 C ATOM 1179 CG ASP A 86 -4.773 4.651 -38.848 1.00 74.53 C ATOM 1180 OD1 ASP A 86 -5.551 4.928 -37.911 1.00 2.11 O ATOM 1181 OD2 ASP A 86 -5.161 4.395 -40.007 1.00 54.33 O ATOM 0 H ASP A 86 -3.072 4.685 -36.110 1.00 61.31 H new ATOM 0 HA ASP A 86 -3.618 2.617 -37.875 1.00 63.45 H new ATOM 0 HB2 ASP A 86 -3.003 5.527 -38.024 1.00 52.03 H new ATOM 0 HB3 ASP A 86 -2.738 4.633 -39.508 1.00 52.03 H new ATOM 1186 N ASP A 87 -0.449 3.537 -37.877 1.00 41.12 N ATOM 1187 CA ASP A 87 0.889 3.133 -38.293 1.00 42.32 C ATOM 1188 C ASP A 87 1.134 1.660 -37.981 1.00 0.41 C ATOM 1189 O ASP A 87 1.343 0.850 -38.884 1.00 33.23 O ATOM 1190 CB ASP A 87 1.944 3.997 -37.600 1.00 23.31 C ATOM 1191 CG ASP A 87 2.888 4.660 -38.584 1.00 73.21 C ATOM 1192 OD1 ASP A 87 2.794 5.893 -38.757 1.00 42.32 O ATOM 1193 OD2 ASP A 87 3.720 3.946 -39.181 1.00 21.43 O ATOM 0 H ASP A 87 -0.473 4.363 -37.279 1.00 41.12 H new ATOM 0 HA ASP A 87 0.966 3.274 -39.371 1.00 42.32 H new ATOM 0 HB2 ASP A 87 1.448 4.763 -37.005 1.00 23.31 H new ATOM 0 HB3 ASP A 87 2.519 3.379 -36.910 1.00 23.31 H new ATOM 1198 N VAL A 88 1.108 1.321 -36.696 1.00 22.21 N ATOM 1199 CA VAL A 88 1.327 -0.054 -36.264 1.00 63.40 C ATOM 1200 C VAL A 88 0.243 -0.504 -35.291 1.00 61.22 C ATOM 1201 O VAL A 88 -0.040 0.175 -34.305 1.00 4.40 O ATOM 1202 CB VAL A 88 2.704 -0.220 -35.593 1.00 50.54 C ATOM 1203 CG1 VAL A 88 2.908 -1.657 -35.139 1.00 51.22 C ATOM 1204 CG2 VAL A 88 3.813 0.211 -36.541 1.00 50.15 C ATOM 0 H VAL A 88 0.937 1.980 -35.936 1.00 22.21 H new ATOM 0 HA VAL A 88 1.290 -0.676 -37.159 1.00 63.40 H new ATOM 0 HB VAL A 88 2.739 0.422 -34.713 1.00 50.54 H new ATOM 0 HG11 VAL A 88 3.886 -1.754 -34.668 1.00 51.22 H new ATOM 0 HG12 VAL A 88 2.132 -1.926 -34.423 1.00 51.22 H new ATOM 0 HG13 VAL A 88 2.853 -2.322 -36.001 1.00 51.22 H new ATOM 0 HG21 VAL A 88 4.779 0.087 -36.051 1.00 50.15 H new ATOM 0 HG22 VAL A 88 3.781 -0.403 -37.441 1.00 50.15 H new ATOM 0 HG23 VAL A 88 3.675 1.258 -36.811 1.00 50.15 H new ATOM 1214 N GLN A 89 -0.360 -1.654 -35.576 1.00 40.21 N ATOM 1215 CA GLN A 89 -1.414 -2.194 -34.726 1.00 21.34 C ATOM 1216 C GLN A 89 -0.875 -2.531 -33.339 1.00 15.42 C ATOM 1217 O GLN A 89 0.047 -3.334 -33.198 1.00 21.45 O ATOM 1218 CB GLN A 89 -2.024 -3.443 -35.365 1.00 54.41 C ATOM 1219 CG GLN A 89 -3.394 -3.802 -34.811 1.00 62.04 C ATOM 1220 CD GLN A 89 -4.490 -3.702 -35.854 1.00 44.11 C ATOM 1221 OE1 GLN A 89 -4.901 -2.606 -36.236 1.00 44.12 O ATOM 1222 NE2 GLN A 89 -4.969 -4.849 -36.321 1.00 54.31 N ATOM 0 H GLN A 89 -0.137 -2.229 -36.388 1.00 40.21 H new ATOM 0 HA GLN A 89 -2.187 -1.433 -34.621 1.00 21.34 H new ATOM 0 HB2 GLN A 89 -2.105 -3.288 -36.441 1.00 54.41 H new ATOM 0 HB3 GLN A 89 -1.348 -4.285 -35.215 1.00 54.41 H new ATOM 0 HG2 GLN A 89 -3.367 -4.817 -34.414 1.00 62.04 H new ATOM 0 HG3 GLN A 89 -3.629 -3.140 -33.977 1.00 62.04 H new ATOM 0 HE21 GLN A 89 -4.599 -5.735 -35.976 1.00 54.31 H new ATOM 0 HE22 GLN A 89 -5.707 -4.845 -37.025 1.00 54.31 H new ATOM 1231 N LEU A 90 -1.457 -1.911 -32.318 1.00 3.42 N ATOM 1232 CA LEU A 90 -1.035 -2.144 -30.941 1.00 12.32 C ATOM 1233 C LEU A 90 -1.983 -3.109 -30.237 1.00 74.21 C ATOM 1234 O LEU A 90 -3.202 -3.026 -30.395 1.00 30.20 O ATOM 1235 CB LEU A 90 -0.974 -0.821 -30.174 1.00 72.35 C ATOM 1236 CG LEU A 90 0.404 -0.408 -29.658 1.00 43.31 C ATOM 1237 CD1 LEU A 90 0.922 -1.421 -28.649 1.00 44.21 C ATOM 1238 CD2 LEU A 90 1.383 -0.255 -30.813 1.00 53.54 C ATOM 0 H LEU A 90 -2.222 -1.244 -32.418 1.00 3.42 H new ATOM 0 HA LEU A 90 -0.041 -2.591 -30.963 1.00 12.32 H new ATOM 0 HB2 LEU A 90 -1.349 -0.030 -30.823 1.00 72.35 H new ATOM 0 HB3 LEU A 90 -1.654 -0.885 -29.324 1.00 72.35 H new ATOM 0 HG LEU A 90 0.309 0.556 -29.158 1.00 43.31 H new ATOM 0 HD11 LEU A 90 1.904 -1.110 -28.293 1.00 44.21 H new ATOM 0 HD12 LEU A 90 0.233 -1.481 -27.807 1.00 44.21 H new ATOM 0 HD13 LEU A 90 1.001 -2.399 -29.123 1.00 44.21 H new ATOM 0 HD21 LEU A 90 2.359 0.039 -30.426 1.00 53.54 H new ATOM 0 HD22 LEU A 90 1.473 -1.204 -31.341 1.00 53.54 H new ATOM 0 HD23 LEU A 90 1.019 0.509 -31.500 1.00 53.54 H new ATOM 1250 N THR A 91 -1.417 -4.025 -29.457 1.00 44.33 N ATOM 1251 CA THR A 91 -2.211 -5.005 -28.728 1.00 63.32 C ATOM 1252 C THR A 91 -1.849 -5.014 -27.247 1.00 61.44 C ATOM 1253 O THR A 91 -0.819 -5.562 -26.854 1.00 14.53 O ATOM 1254 CB THR A 91 -2.018 -6.422 -29.301 1.00 22.22 C ATOM 1255 OG1 THR A 91 -1.659 -6.347 -30.685 1.00 51.50 O ATOM 1256 CG2 THR A 91 -3.287 -7.246 -29.145 1.00 20.30 C ATOM 0 H THR A 91 -0.410 -4.108 -29.314 1.00 44.33 H new ATOM 0 HA THR A 91 -3.255 -4.714 -28.842 1.00 63.32 H new ATOM 0 HB THR A 91 -1.217 -6.909 -28.745 1.00 22.22 H new ATOM 0 HG1 THR A 91 -1.537 -7.252 -31.041 1.00 51.50 H new ATOM 0 HG21 THR A 91 -3.127 -8.242 -29.557 1.00 20.30 H new ATOM 0 HG22 THR A 91 -3.541 -7.327 -28.088 1.00 20.30 H new ATOM 0 HG23 THR A 91 -4.104 -6.760 -29.678 1.00 20.30 H new ATOM 1264 N ALA A 92 -2.703 -4.406 -26.431 1.00 5.43 N ATOM 1265 CA ALA A 92 -2.474 -4.346 -24.992 1.00 64.34 C ATOM 1266 C ALA A 92 -3.449 -5.248 -24.244 1.00 12.03 C ATOM 1267 O ALA A 92 -4.617 -5.358 -24.616 1.00 63.11 O ATOM 1268 CB ALA A 92 -2.591 -2.912 -24.498 1.00 33.31 C ATOM 0 H ALA A 92 -3.560 -3.948 -26.741 1.00 5.43 H new ATOM 0 HA ALA A 92 -1.464 -4.704 -24.794 1.00 64.34 H new ATOM 0 HB1 ALA A 92 -2.418 -2.882 -23.422 1.00 33.31 H new ATOM 0 HB2 ALA A 92 -1.850 -2.292 -25.002 1.00 33.31 H new ATOM 0 HB3 ALA A 92 -3.590 -2.533 -24.715 1.00 33.31 H new ATOM 1274 N GLU A 93 -2.962 -5.891 -23.187 1.00 61.12 N ATOM 1275 CA GLU A 93 -3.792 -6.784 -22.388 1.00 30.52 C ATOM 1276 C GLU A 93 -4.017 -6.213 -20.991 1.00 33.12 C ATOM 1277 O GLU A 93 -3.344 -5.268 -20.579 1.00 75.54 O ATOM 1278 CB GLU A 93 -3.143 -8.166 -22.287 1.00 24.31 C ATOM 1279 CG GLU A 93 -3.443 -9.068 -23.472 1.00 51.04 C ATOM 1280 CD GLU A 93 -4.908 -9.448 -23.559 1.00 74.44 C ATOM 1281 OE1 GLU A 93 -5.497 -9.785 -22.510 1.00 44.22 O ATOM 1282 OE2 GLU A 93 -5.467 -9.410 -24.676 1.00 23.14 O ATOM 0 H GLU A 93 -1.998 -5.810 -22.865 1.00 61.12 H new ATOM 0 HA GLU A 93 -4.758 -6.880 -22.883 1.00 30.52 H new ATOM 0 HB2 GLU A 93 -2.063 -8.045 -22.197 1.00 24.31 H new ATOM 0 HB3 GLU A 93 -3.486 -8.653 -21.374 1.00 24.31 H new ATOM 0 HG2 GLU A 93 -3.147 -8.564 -24.392 1.00 51.04 H new ATOM 0 HG3 GLU A 93 -2.840 -9.973 -23.397 1.00 51.04 H new ATOM 1289 N MET A 94 -4.969 -6.793 -20.267 1.00 71.31 N ATOM 1290 CA MET A 94 -5.283 -6.343 -18.916 1.00 51.32 C ATOM 1291 C MET A 94 -4.702 -7.296 -17.876 1.00 53.34 C ATOM 1292 O MET A 94 -4.538 -8.488 -18.135 1.00 60.21 O ATOM 1293 CB MET A 94 -6.798 -6.230 -18.732 1.00 63.03 C ATOM 1294 CG MET A 94 -7.218 -5.063 -17.853 1.00 70.50 C ATOM 1295 SD MET A 94 -8.818 -4.379 -18.326 1.00 3.35 S ATOM 1296 CE MET A 94 -9.859 -5.017 -17.016 1.00 34.11 C ATOM 0 H MET A 94 -5.536 -7.575 -20.593 1.00 71.31 H new ATOM 0 HA MET A 94 -4.833 -5.361 -18.774 1.00 51.32 H new ATOM 0 HB2 MET A 94 -7.268 -6.125 -19.710 1.00 63.03 H new ATOM 0 HB3 MET A 94 -7.173 -7.156 -18.296 1.00 63.03 H new ATOM 0 HG2 MET A 94 -7.260 -5.392 -16.815 1.00 70.50 H new ATOM 0 HG3 MET A 94 -6.462 -4.280 -17.909 1.00 70.50 H new ATOM 0 HE1 MET A 94 -10.884 -4.679 -17.169 1.00 34.11 H new ATOM 0 HE2 MET A 94 -9.830 -6.107 -17.027 1.00 34.11 H new ATOM 0 HE3 MET A 94 -9.497 -4.654 -16.054 1.00 34.11 H new ATOM 1306 N LYS A 95 -4.393 -6.763 -16.699 1.00 42.33 N ATOM 1307 CA LYS A 95 -3.831 -7.565 -15.619 1.00 71.43 C ATOM 1308 C LYS A 95 -4.808 -8.653 -15.185 1.00 15.24 C ATOM 1309 O LYS A 95 -4.405 -9.764 -14.839 1.00 44.24 O ATOM 1310 CB LYS A 95 -3.478 -6.675 -14.425 1.00 62.55 C ATOM 1311 CG LYS A 95 -4.670 -5.936 -13.844 1.00 34.43 C ATOM 1312 CD LYS A 95 -4.233 -4.804 -12.930 1.00 0.11 C ATOM 1313 CE LYS A 95 -5.416 -3.959 -12.484 1.00 14.10 C ATOM 1314 NZ LYS A 95 -5.557 -3.940 -11.002 1.00 10.24 N ATOM 0 H LYS A 95 -4.522 -5.778 -16.469 1.00 42.33 H new ATOM 0 HA LYS A 95 -2.923 -8.042 -15.989 1.00 71.43 H new ATOM 0 HB2 LYS A 95 -3.027 -7.289 -13.646 1.00 62.55 H new ATOM 0 HB3 LYS A 95 -2.726 -5.949 -14.734 1.00 62.55 H new ATOM 0 HG2 LYS A 95 -5.281 -5.536 -14.653 1.00 34.43 H new ATOM 0 HG3 LYS A 95 -5.296 -6.634 -13.287 1.00 34.43 H new ATOM 0 HD2 LYS A 95 -3.728 -5.215 -12.056 1.00 0.11 H new ATOM 0 HD3 LYS A 95 -3.510 -4.175 -13.449 1.00 0.11 H new ATOM 0 HE2 LYS A 95 -5.293 -2.940 -12.850 1.00 14.10 H new ATOM 0 HE3 LYS A 95 -6.330 -4.350 -12.931 1.00 14.10 H new ATOM 0 HZ1 LYS A 95 -6.374 -3.354 -10.739 1.00 10.24 H new ATOM 0 HZ2 LYS A 95 -5.700 -4.910 -10.654 1.00 10.24 H new ATOM 0 HZ3 LYS A 95 -4.695 -3.543 -10.576 1.00 10.24 H new ATOM 1328 N THR A 96 -6.097 -8.327 -15.205 1.00 12.41 N ATOM 1329 CA THR A 96 -7.132 -9.275 -14.813 1.00 61.33 C ATOM 1330 C THR A 96 -7.167 -10.471 -15.758 1.00 31.42 C ATOM 1331 O THR A 96 -7.239 -11.620 -15.320 1.00 31.21 O ATOM 1332 CB THR A 96 -8.522 -8.613 -14.790 1.00 52.55 C ATOM 1333 OG1 THR A 96 -8.387 -7.195 -14.644 1.00 4.44 O ATOM 1334 CG2 THR A 96 -9.367 -9.167 -13.653 1.00 52.34 C ATOM 0 H THR A 96 -6.449 -7.413 -15.489 1.00 12.41 H new ATOM 0 HA THR A 96 -6.884 -9.616 -13.808 1.00 61.33 H new ATOM 0 HB THR A 96 -9.021 -8.835 -15.733 1.00 52.55 H new ATOM 0 HG1 THR A 96 -9.275 -6.781 -14.632 1.00 4.44 H new ATOM 0 HG21 THR A 96 -10.344 -8.684 -13.657 1.00 52.34 H new ATOM 0 HG22 THR A 96 -9.493 -10.242 -13.783 1.00 52.34 H new ATOM 0 HG23 THR A 96 -8.870 -8.973 -12.702 1.00 52.34 H new ATOM 1342 N THR A 97 -7.115 -10.195 -17.057 1.00 73.33 N ATOM 1343 CA THR A 97 -7.142 -11.249 -18.064 1.00 43.31 C ATOM 1344 C THR A 97 -6.008 -12.245 -17.848 1.00 12.33 C ATOM 1345 O THR A 97 -6.245 -13.436 -17.648 1.00 34.24 O ATOM 1346 CB THR A 97 -7.036 -10.669 -19.487 1.00 45.40 C ATOM 1347 OG1 THR A 97 -7.799 -9.461 -19.582 1.00 74.11 O ATOM 1348 CG2 THR A 97 -7.531 -11.671 -20.518 1.00 54.14 C ATOM 0 H THR A 97 -7.054 -9.250 -17.437 1.00 73.33 H new ATOM 0 HA THR A 97 -8.098 -11.762 -17.959 1.00 43.31 H new ATOM 0 HB THR A 97 -5.987 -10.452 -19.690 1.00 45.40 H new ATOM 0 HG1 THR A 97 -7.725 -9.098 -20.489 1.00 74.11 H new ATOM 0 HG21 THR A 97 -7.446 -11.239 -21.515 1.00 54.14 H new ATOM 0 HG22 THR A 97 -6.928 -12.577 -20.463 1.00 54.14 H new ATOM 0 HG23 THR A 97 -8.574 -11.916 -20.316 1.00 54.14 H new ATOM 1356 N TYR A 98 -4.776 -11.749 -17.888 1.00 73.53 N ATOM 1357 CA TYR A 98 -3.605 -12.597 -17.698 1.00 72.12 C ATOM 1358 C TYR A 98 -3.705 -13.379 -16.392 1.00 61.10 C ATOM 1359 O TYR A 98 -3.464 -14.587 -16.357 1.00 42.43 O ATOM 1360 CB TYR A 98 -2.331 -11.751 -17.703 1.00 0.11 C ATOM 1361 CG TYR A 98 -1.593 -11.775 -19.022 1.00 60.13 C ATOM 1362 CD1 TYR A 98 -1.468 -10.625 -19.792 1.00 13.21 C ATOM 1363 CD2 TYR A 98 -1.021 -12.948 -19.500 1.00 13.21 C ATOM 1364 CE1 TYR A 98 -0.795 -10.642 -20.998 1.00 75.15 C ATOM 1365 CE2 TYR A 98 -0.345 -12.974 -20.704 1.00 75.14 C ATOM 1366 CZ TYR A 98 -0.235 -11.819 -21.450 1.00 55.11 C ATOM 1367 OH TYR A 98 0.436 -11.841 -22.651 1.00 73.32 O ATOM 0 H TYR A 98 -4.563 -10.765 -18.050 1.00 73.53 H new ATOM 0 HA TYR A 98 -3.564 -13.308 -18.523 1.00 72.12 H new ATOM 0 HB2 TYR A 98 -2.589 -10.720 -17.459 1.00 0.11 H new ATOM 0 HB3 TYR A 98 -1.665 -12.108 -16.917 1.00 0.11 H new ATOM 0 HD1 TYR A 98 -1.905 -9.702 -19.441 1.00 13.21 H new ATOM 0 HD2 TYR A 98 -1.107 -13.855 -18.920 1.00 13.21 H new ATOM 0 HE1 TYR A 98 -0.708 -9.739 -21.584 1.00 75.15 H new ATOM 0 HE2 TYR A 98 0.095 -13.894 -21.060 1.00 75.14 H new ATOM 0 HH TYR A 98 0.770 -12.746 -22.822 1.00 73.32 H new ATOM 1377 N LEU A 99 -4.063 -12.682 -15.319 1.00 64.40 N ATOM 1378 CA LEU A 99 -4.196 -13.310 -14.009 1.00 1.22 C ATOM 1379 C LEU A 99 -5.114 -14.526 -14.078 1.00 63.02 C ATOM 1380 O LEU A 99 -4.794 -15.587 -13.544 1.00 70.52 O ATOM 1381 CB LEU A 99 -4.739 -12.304 -12.993 1.00 13.23 C ATOM 1382 CG LEU A 99 -4.700 -12.741 -11.528 1.00 25.10 C ATOM 1383 CD1 LEU A 99 -4.372 -11.560 -10.627 1.00 74.41 C ATOM 1384 CD2 LEU A 99 -6.024 -13.372 -11.124 1.00 20.14 C ATOM 0 H LEU A 99 -4.266 -11.683 -15.330 1.00 64.40 H new ATOM 0 HA LEU A 99 -3.208 -13.642 -13.691 1.00 1.22 H new ATOM 0 HB2 LEU A 99 -4.172 -11.378 -13.090 1.00 13.23 H new ATOM 0 HB3 LEU A 99 -5.772 -12.075 -13.255 1.00 13.23 H new ATOM 0 HG LEU A 99 -3.915 -13.488 -11.412 1.00 25.10 H new ATOM 0 HD11 LEU A 99 -4.349 -11.890 -9.588 1.00 74.41 H new ATOM 0 HD12 LEU A 99 -3.398 -11.153 -10.900 1.00 74.41 H new ATOM 0 HD13 LEU A 99 -5.134 -10.789 -10.746 1.00 74.41 H new ATOM 0 HD21 LEU A 99 -5.978 -13.677 -10.079 1.00 20.14 H new ATOM 0 HD22 LEU A 99 -6.828 -12.647 -11.255 1.00 20.14 H new ATOM 0 HD23 LEU A 99 -6.217 -14.245 -11.748 1.00 20.14 H new ATOM 1396 N GLU A 100 -6.254 -14.363 -14.742 1.00 32.33 N ATOM 1397 CA GLU A 100 -7.217 -15.449 -14.882 1.00 33.22 C ATOM 1398 C GLU A 100 -6.636 -16.587 -15.716 1.00 74.31 C ATOM 1399 O GLU A 100 -6.874 -17.762 -15.434 1.00 1.22 O ATOM 1400 CB GLU A 100 -8.507 -14.937 -15.526 1.00 51.30 C ATOM 1401 CG GLU A 100 -9.754 -15.664 -15.053 1.00 15.34 C ATOM 1402 CD GLU A 100 -10.747 -15.909 -16.172 1.00 52.23 C ATOM 1403 OE1 GLU A 100 -10.960 -14.987 -16.988 1.00 30.21 O ATOM 1404 OE2 GLU A 100 -11.311 -17.021 -16.233 1.00 72.21 O ATOM 0 H GLU A 100 -6.533 -13.491 -15.191 1.00 32.33 H new ATOM 0 HA GLU A 100 -7.443 -15.830 -13.886 1.00 33.22 H new ATOM 0 HB2 GLU A 100 -8.613 -13.874 -15.311 1.00 51.30 H new ATOM 0 HB3 GLU A 100 -8.427 -15.037 -16.608 1.00 51.30 H new ATOM 0 HG2 GLU A 100 -9.468 -16.618 -14.611 1.00 15.34 H new ATOM 0 HG3 GLU A 100 -10.234 -15.080 -14.268 1.00 15.34 H new ATOM 1411 N ARG A 101 -5.875 -16.230 -16.745 1.00 3.12 N ATOM 1412 CA ARG A 101 -5.261 -17.220 -17.622 1.00 33.04 C ATOM 1413 C ARG A 101 -4.341 -18.148 -16.834 1.00 4.40 C ATOM 1414 O ARG A 101 -4.526 -19.365 -16.826 1.00 51.32 O ATOM 1415 CB ARG A 101 -4.474 -16.528 -18.736 1.00 1.13 C ATOM 1416 CG ARG A 101 -4.905 -16.941 -20.133 1.00 65.54 C ATOM 1417 CD ARG A 101 -6.348 -16.550 -20.410 1.00 63.13 C ATOM 1418 NE ARG A 101 -6.658 -16.577 -21.837 1.00 41.21 N ATOM 1419 CZ ARG A 101 -7.895 -16.581 -22.320 1.00 73.42 C ATOM 1420 NH1 ARG A 101 -8.933 -16.561 -21.495 1.00 2.21 N ATOM 1421 NH2 ARG A 101 -8.097 -16.606 -23.632 1.00 22.25 N ATOM 0 H ARG A 101 -5.669 -15.262 -16.992 1.00 3.12 H new ATOM 0 HA ARG A 101 -6.057 -17.818 -18.067 1.00 33.04 H new ATOM 0 HB2 ARG A 101 -4.589 -15.449 -18.634 1.00 1.13 H new ATOM 0 HB3 ARG A 101 -3.414 -16.749 -18.612 1.00 1.13 H new ATOM 0 HG2 ARG A 101 -4.252 -16.472 -20.870 1.00 65.54 H new ATOM 0 HG3 ARG A 101 -4.791 -18.019 -20.246 1.00 65.54 H new ATOM 0 HD2 ARG A 101 -7.016 -17.230 -19.881 1.00 63.13 H new ATOM 0 HD3 ARG A 101 -6.535 -15.550 -20.017 1.00 63.13 H new ATOM 0 HE ARG A 101 -5.882 -16.594 -22.499 1.00 41.21 H new ATOM 0 HH11 ARG A 101 -8.782 -16.542 -20.486 1.00 2.21 H new ATOM 0 HH12 ARG A 101 -9.882 -16.564 -21.869 1.00 2.21 H new ATOM 0 HH21 ARG A 101 -7.302 -16.622 -24.270 1.00 22.25 H new ATOM 0 HH22 ARG A 101 -9.048 -16.609 -24.002 1.00 22.25 H new ATOM 1435 N LYS A 102 -3.347 -17.564 -16.172 1.00 61.25 N ATOM 1436 CA LYS A 102 -2.397 -18.337 -15.381 1.00 2.52 C ATOM 1437 C LYS A 102 -3.110 -19.107 -14.274 1.00 72.14 C ATOM 1438 O LYS A 102 -2.814 -20.276 -14.029 1.00 73.25 O ATOM 1439 CB LYS A 102 -1.339 -17.413 -14.773 1.00 25.11 C ATOM 1440 CG LYS A 102 -1.922 -16.285 -13.939 1.00 62.25 C ATOM 1441 CD LYS A 102 -0.861 -15.265 -13.561 1.00 22.41 C ATOM 1442 CE LYS A 102 -0.049 -15.726 -12.360 1.00 2.41 C ATOM 1443 NZ LYS A 102 0.813 -14.636 -11.823 1.00 33.24 N ATOM 0 H LYS A 102 -3.179 -16.558 -16.168 1.00 61.25 H new ATOM 0 HA LYS A 102 -1.910 -19.054 -16.042 1.00 2.52 H new ATOM 0 HB2 LYS A 102 -0.667 -18.004 -14.150 1.00 25.11 H new ATOM 0 HB3 LYS A 102 -0.737 -16.986 -15.575 1.00 25.11 H new ATOM 0 HG2 LYS A 102 -2.719 -15.793 -14.497 1.00 62.25 H new ATOM 0 HG3 LYS A 102 -2.372 -16.695 -13.035 1.00 62.25 H new ATOM 0 HD2 LYS A 102 -0.196 -15.098 -14.409 1.00 22.41 H new ATOM 0 HD3 LYS A 102 -1.336 -14.310 -13.336 1.00 22.41 H new ATOM 0 HE2 LYS A 102 -0.723 -16.075 -11.578 1.00 2.41 H new ATOM 0 HE3 LYS A 102 0.573 -16.574 -12.646 1.00 2.41 H new ATOM 0 HZ1 LYS A 102 1.350 -14.989 -11.006 1.00 33.24 H new ATOM 0 HZ2 LYS A 102 1.474 -14.320 -12.561 1.00 33.24 H new ATOM 0 HZ3 LYS A 102 0.217 -13.837 -11.526 1.00 33.24 H new ATOM 1457 N ALA A 103 -4.052 -18.445 -13.610 1.00 43.44 N ATOM 1458 CA ALA A 103 -4.809 -19.069 -12.533 1.00 13.10 C ATOM 1459 C ALA A 103 -5.457 -20.369 -12.999 1.00 2.44 C ATOM 1460 O ALA A 103 -5.398 -21.384 -12.306 1.00 70.12 O ATOM 1461 CB ALA A 103 -5.866 -18.109 -12.006 1.00 73.44 C ATOM 0 H ALA A 103 -4.309 -17.476 -13.800 1.00 43.44 H new ATOM 0 HA ALA A 103 -4.116 -19.308 -11.726 1.00 13.10 H new ATOM 0 HB1 ALA A 103 -6.424 -18.588 -11.202 1.00 73.44 H new ATOM 0 HB2 ALA A 103 -5.383 -17.209 -11.626 1.00 73.44 H new ATOM 0 HB3 ALA A 103 -6.549 -17.842 -12.812 1.00 73.44 H new ATOM 1467 N GLU A 104 -6.074 -20.329 -14.175 1.00 53.52 N ATOM 1468 CA GLU A 104 -6.734 -21.504 -14.731 1.00 60.03 C ATOM 1469 C GLU A 104 -5.710 -22.552 -15.158 1.00 41.31 C ATOM 1470 O GLU A 104 -5.940 -23.752 -15.016 1.00 62.25 O ATOM 1471 CB GLU A 104 -7.605 -21.110 -15.926 1.00 70.00 C ATOM 1472 CG GLU A 104 -9.080 -21.421 -15.733 1.00 23.10 C ATOM 1473 CD GLU A 104 -9.803 -21.655 -17.045 1.00 31.41 C ATOM 1474 OE1 GLU A 104 -10.921 -21.124 -17.208 1.00 53.42 O ATOM 1475 OE2 GLU A 104 -9.252 -22.370 -17.908 1.00 21.23 O ATOM 0 H GLU A 104 -6.131 -19.496 -14.761 1.00 53.52 H new ATOM 0 HA GLU A 104 -7.367 -21.934 -13.955 1.00 60.03 H new ATOM 0 HB2 GLU A 104 -7.489 -20.042 -16.113 1.00 70.00 H new ATOM 0 HB3 GLU A 104 -7.246 -21.630 -16.814 1.00 70.00 H new ATOM 0 HG2 GLU A 104 -9.182 -22.305 -15.104 1.00 23.10 H new ATOM 0 HG3 GLU A 104 -9.555 -20.596 -15.203 1.00 23.10 H new ATOM 1482 N GLU A 105 -4.580 -22.087 -15.682 1.00 24.24 N ATOM 1483 CA GLU A 105 -3.521 -22.984 -16.130 1.00 72.23 C ATOM 1484 C GLU A 105 -3.049 -23.882 -14.990 1.00 72.13 C ATOM 1485 O GLU A 105 -3.160 -25.106 -15.064 1.00 61.30 O ATOM 1486 CB GLU A 105 -2.342 -22.181 -16.683 1.00 61.13 C ATOM 1487 CG GLU A 105 -1.166 -23.043 -17.111 1.00 41.11 C ATOM 1488 CD GLU A 105 -0.268 -22.347 -18.116 1.00 20.33 C ATOM 1489 OE1 GLU A 105 0.969 -22.432 -17.963 1.00 72.04 O ATOM 1490 OE2 GLU A 105 -0.801 -21.718 -19.053 1.00 73.44 O ATOM 0 H GLU A 105 -4.375 -21.096 -15.807 1.00 24.24 H new ATOM 0 HA GLU A 105 -3.925 -23.614 -16.922 1.00 72.23 H new ATOM 0 HB2 GLU A 105 -2.681 -21.594 -17.537 1.00 61.13 H new ATOM 0 HB3 GLU A 105 -2.007 -21.474 -15.924 1.00 61.13 H new ATOM 0 HG2 GLU A 105 -0.580 -23.314 -16.233 1.00 41.11 H new ATOM 0 HG3 GLU A 105 -1.539 -23.971 -17.544 1.00 41.11 H new ATOM 1497 N ILE A 106 -2.523 -23.265 -13.938 1.00 44.21 N ATOM 1498 CA ILE A 106 -2.034 -24.007 -12.783 1.00 33.42 C ATOM 1499 C ILE A 106 -3.148 -24.836 -12.151 1.00 41.21 C ATOM 1500 O ILE A 106 -2.907 -25.925 -11.631 1.00 44.23 O ATOM 1501 CB ILE A 106 -1.443 -23.066 -11.717 1.00 42.33 C ATOM 1502 CG1 ILE A 106 -0.917 -23.872 -10.528 1.00 33.02 C ATOM 1503 CG2 ILE A 106 -2.488 -22.059 -11.261 1.00 52.23 C ATOM 1504 CD1 ILE A 106 0.518 -23.557 -10.171 1.00 4.41 C ATOM 0 H ILE A 106 -2.424 -22.253 -13.862 1.00 44.21 H new ATOM 0 HA ILE A 106 -1.249 -24.671 -13.144 1.00 33.42 H new ATOM 0 HB ILE A 106 -0.609 -22.520 -12.158 1.00 42.33 H new ATOM 0 HG12 ILE A 106 -1.549 -23.679 -9.661 1.00 33.02 H new ATOM 0 HG13 ILE A 106 -1.001 -24.935 -10.754 1.00 33.02 H new ATOM 0 HG21 ILE A 106 -2.055 -21.401 -10.508 1.00 52.23 H new ATOM 0 HG22 ILE A 106 -2.818 -21.466 -12.114 1.00 52.23 H new ATOM 0 HG23 ILE A 106 -3.341 -22.587 -10.834 1.00 52.23 H new ATOM 0 HD11 ILE A 106 0.823 -24.165 -9.320 1.00 4.41 H new ATOM 0 HD12 ILE A 106 1.161 -23.777 -11.023 1.00 4.41 H new ATOM 0 HD13 ILE A 106 0.605 -22.502 -9.913 1.00 4.41 H new ATOM 1516 N ALA A 107 -4.369 -24.313 -12.202 1.00 5.34 N ATOM 1517 CA ALA A 107 -5.520 -25.005 -11.638 1.00 35.40 C ATOM 1518 C ALA A 107 -5.752 -26.342 -12.335 1.00 13.13 C ATOM 1519 O ALA A 107 -5.971 -27.363 -11.683 1.00 4.30 O ATOM 1520 CB ALA A 107 -6.763 -24.133 -11.739 1.00 43.33 C ATOM 0 H ALA A 107 -4.586 -23.412 -12.628 1.00 5.34 H new ATOM 0 HA ALA A 107 -5.314 -25.203 -10.586 1.00 35.40 H new ATOM 0 HB1 ALA A 107 -7.615 -24.663 -11.314 1.00 43.33 H new ATOM 0 HB2 ALA A 107 -6.602 -23.205 -11.190 1.00 43.33 H new ATOM 0 HB3 ALA A 107 -6.963 -23.905 -12.786 1.00 43.33 H new ATOM 1526 N ALA A 108 -5.704 -26.328 -13.663 1.00 0.13 N ATOM 1527 CA ALA A 108 -5.907 -27.539 -14.447 1.00 75.24 C ATOM 1528 C ALA A 108 -4.804 -28.557 -14.182 1.00 23.32 C ATOM 1529 O ALA A 108 -5.057 -29.760 -14.114 1.00 33.25 O ATOM 1530 CB ALA A 108 -5.972 -27.203 -15.930 1.00 34.11 C ATOM 0 H ALA A 108 -5.526 -25.491 -14.218 1.00 0.13 H new ATOM 0 HA ALA A 108 -6.855 -27.983 -14.144 1.00 75.24 H new ATOM 0 HB1 ALA A 108 -6.124 -28.117 -16.504 1.00 34.11 H new ATOM 0 HB2 ALA A 108 -6.800 -26.518 -16.112 1.00 34.11 H new ATOM 0 HB3 ALA A 108 -5.038 -26.732 -16.238 1.00 34.11 H new ATOM 1536 N LYS A 109 -3.577 -28.068 -14.033 1.00 73.11 N ATOM 1537 CA LYS A 109 -2.434 -28.935 -13.774 1.00 44.43 C ATOM 1538 C LYS A 109 -2.615 -29.700 -12.467 1.00 55.24 C ATOM 1539 O LYS A 109 -2.563 -30.930 -12.443 1.00 54.35 O ATOM 1540 CB LYS A 109 -1.145 -28.110 -13.720 1.00 72.50 C ATOM 1541 CG LYS A 109 -0.886 -27.304 -14.980 1.00 43.35 C ATOM 1542 CD LYS A 109 0.565 -27.407 -15.420 1.00 60.42 C ATOM 1543 CE LYS A 109 1.422 -26.331 -14.772 1.00 41.22 C ATOM 1544 NZ LYS A 109 1.628 -25.166 -15.677 1.00 74.11 N ATOM 0 H LYS A 109 -3.349 -27.075 -14.087 1.00 73.11 H new ATOM 0 HA LYS A 109 -2.364 -29.656 -14.589 1.00 44.43 H new ATOM 0 HB2 LYS A 109 -1.193 -27.432 -12.868 1.00 72.50 H new ATOM 0 HB3 LYS A 109 -0.302 -28.779 -13.547 1.00 72.50 H new ATOM 0 HG2 LYS A 109 -1.536 -27.659 -15.780 1.00 43.35 H new ATOM 0 HG3 LYS A 109 -1.140 -26.259 -14.803 1.00 43.35 H new ATOM 0 HD2 LYS A 109 0.956 -28.391 -15.160 1.00 60.42 H new ATOM 0 HD3 LYS A 109 0.625 -27.317 -16.505 1.00 60.42 H new ATOM 0 HE2 LYS A 109 0.947 -25.995 -13.850 1.00 41.22 H new ATOM 0 HE3 LYS A 109 2.389 -26.753 -14.498 1.00 41.22 H new ATOM 0 HZ1 LYS A 109 1.826 -24.317 -15.110 1.00 74.11 H new ATOM 0 HZ2 LYS A 109 2.432 -25.355 -16.309 1.00 74.11 H new ATOM 0 HZ3 LYS A 109 0.770 -25.011 -16.245 1.00 74.11 H new ATOM 1558 N LYS A 110 -2.830 -28.965 -11.382 1.00 14.33 N ATOM 1559 CA LYS A 110 -3.023 -29.573 -10.071 1.00 32.42 C ATOM 1560 C LYS A 110 -4.476 -29.994 -9.874 1.00 52.15 C ATOM 1561 O LYS A 110 -5.238 -30.096 -10.836 1.00 55.41 O ATOM 1562 CB LYS A 110 -2.610 -28.597 -8.967 1.00 20.42 C ATOM 1563 CG LYS A 110 -1.281 -28.941 -8.317 1.00 63.14 C ATOM 1564 CD LYS A 110 -0.682 -27.741 -7.604 1.00 2.32 C ATOM 1565 CE LYS A 110 0.793 -27.953 -7.299 1.00 2.54 C ATOM 1566 NZ LYS A 110 0.995 -28.671 -6.010 1.00 63.31 N ATOM 0 H LYS A 110 -2.875 -27.946 -11.384 1.00 14.33 H new ATOM 0 HA LYS A 110 -2.395 -30.462 -10.015 1.00 32.42 H new ATOM 0 HB2 LYS A 110 -2.551 -27.592 -9.385 1.00 20.42 H new ATOM 0 HB3 LYS A 110 -3.385 -28.578 -8.201 1.00 20.42 H new ATOM 0 HG2 LYS A 110 -1.423 -29.755 -7.606 1.00 63.14 H new ATOM 0 HG3 LYS A 110 -0.585 -29.299 -9.076 1.00 63.14 H new ATOM 0 HD2 LYS A 110 -0.803 -26.852 -8.222 1.00 2.32 H new ATOM 0 HD3 LYS A 110 -1.224 -27.560 -6.676 1.00 2.32 H new ATOM 0 HE2 LYS A 110 1.253 -28.521 -8.107 1.00 2.54 H new ATOM 0 HE3 LYS A 110 1.298 -26.988 -7.260 1.00 2.54 H new ATOM 0 HZ1 LYS A 110 2.013 -28.796 -5.838 1.00 63.31 H new ATOM 0 HZ2 LYS A 110 0.578 -28.117 -5.235 1.00 63.31 H new ATOM 0 HZ3 LYS A 110 0.535 -29.602 -6.056 1.00 63.31 H new