USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 73 THR OG1 : rot 58:sc= 1.23 USER MOD Set 2.1: A 64 ASN : amide:sc= 0.721 K(o=1.4,f=-2.7!) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0.678 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 20 THR OG1 : rot 117:sc= 0.154 USER MOD Set 4.1: A 1 MET N :NH3+ -143:sc= 0.0202 (180deg=-3.03!) USER MOD Set 4.2: A 22 ASN : amide:sc= 0.27 K(o=0.29,f=-10!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.978 USER MOD Single : A 6 TYR OH : rot -140:sc= -0.563 USER MOD Single : A 7 TYR OH : rot 58:sc= 1.81 USER MOD Single : A 9 THR OG1 : rot -100:sc= -0.6 USER MOD Single : A 14 THR OG1 : rot 177:sc= 1.77 USER MOD Single : A 15 LYS NZ :NH3+ -145:sc= -0.202 (180deg=-1.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 139:sc= 0.0603 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 73:sc= 1.21 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.569 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.37 K(o=-0.37,f=-2.8!) USER MOD Single : A 46 MET CE :methyl 174:sc= -1.53 (180deg=-1.62) USER MOD Single : A 47 TYR OH : rot -93:sc= 0.268 USER MOD Single : A 50 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.5) USER MOD Single : A 51 ASN : amide:sc= -0.0725 X(o=-0.072,f=-0.046) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0143) USER MOD Single : A 55 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.5!) USER MOD Single : A 61 ASN : amide:sc= -0.457 K(o=-0.46,f=-1.7!) USER MOD Single : A 63 ASN : amide:sc= -0.883 X(o=-0.88,f=-0.98) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= 0.0141 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.584 12.206 7.196 1.00 44.31 N ATOM 2 CA MET A 1 -1.795 11.118 7.765 1.00 34.30 C ATOM 3 C MET A 1 -2.365 9.763 7.360 1.00 30.13 C ATOM 4 O MET A 1 -3.562 9.512 7.508 1.00 53.02 O ATOM 5 CB MET A 1 -1.755 11.232 9.290 1.00 14.04 C ATOM 6 CG MET A 1 -0.805 10.246 9.949 1.00 22.24 C ATOM 7 SD MET A 1 0.796 10.977 10.340 1.00 1.51 S ATOM 8 CE MET A 1 0.582 11.350 12.079 1.00 5.12 C ATOM 0 H1 MET A 1 -1.953 12.985 6.920 1.00 44.31 H new ATOM 0 H2 MET A 1 -3.096 11.862 6.359 1.00 44.31 H new ATOM 0 H3 MET A 1 -3.266 12.547 7.903 1.00 44.31 H new ATOM 0 HA MET A 1 -0.780 11.196 7.375 1.00 34.30 H new ATOM 0 HB2 MET A 1 -1.460 12.245 9.563 1.00 14.04 H new ATOM 0 HB3 MET A 1 -2.759 11.075 9.684 1.00 14.04 H new ATOM 0 HG2 MET A 1 -1.259 9.866 10.864 1.00 22.24 H new ATOM 0 HG3 MET A 1 -0.658 9.392 9.288 1.00 22.24 H new ATOM 0 HE1 MET A 1 1.491 11.809 12.467 1.00 5.12 H new ATOM 0 HE2 MET A 1 -0.254 12.039 12.203 1.00 5.12 H new ATOM 0 HE3 MET A 1 0.378 10.430 12.626 1.00 5.12 H new ATOM 16 N VAL A 2 -1.502 8.892 6.848 1.00 64.53 N ATOM 17 CA VAL A 2 -1.920 7.562 6.422 1.00 25.34 C ATOM 18 C VAL A 2 -1.168 6.478 7.187 1.00 22.22 C ATOM 19 O VAL A 2 0.044 6.569 7.386 1.00 22.25 O ATOM 20 CB VAL A 2 -1.695 7.359 4.911 1.00 53.55 C ATOM 21 CG1 VAL A 2 -2.586 8.293 4.108 1.00 53.53 C ATOM 22 CG2 VAL A 2 -0.231 7.572 4.559 1.00 73.45 C ATOM 0 H VAL A 2 -0.509 9.084 6.718 1.00 64.53 H new ATOM 0 HA VAL A 2 -2.986 7.482 6.637 1.00 25.34 H new ATOM 0 HB VAL A 2 -1.962 6.334 4.656 1.00 53.55 H new ATOM 0 HG11 VAL A 2 -2.413 8.135 3.043 1.00 53.53 H new ATOM 0 HG12 VAL A 2 -3.631 8.088 4.340 1.00 53.53 H new ATOM 0 HG13 VAL A 2 -2.354 9.327 4.364 1.00 53.53 H new ATOM 0 HG21 VAL A 2 -0.089 7.425 3.488 1.00 73.45 H new ATOM 0 HG22 VAL A 2 0.064 8.586 4.828 1.00 73.45 H new ATOM 0 HG23 VAL A 2 0.383 6.858 5.108 1.00 73.45 H new ATOM 32 N THR A 3 -1.894 5.450 7.615 1.00 14.25 N ATOM 33 CA THR A 3 -1.298 4.349 8.359 1.00 61.25 C ATOM 34 C THR A 3 -1.407 3.040 7.586 1.00 71.32 C ATOM 35 O THR A 3 -2.462 2.714 7.042 1.00 54.23 O ATOM 36 CB THR A 3 -1.963 4.175 9.738 1.00 30.25 C ATOM 37 OG1 THR A 3 -2.319 5.454 10.275 1.00 35.21 O ATOM 38 CG2 THR A 3 -1.033 3.455 10.701 1.00 3.44 C ATOM 0 H THR A 3 -2.898 5.358 7.458 1.00 14.25 H new ATOM 0 HA THR A 3 -0.246 4.598 8.501 1.00 61.25 H new ATOM 0 HB THR A 3 -2.862 3.573 9.610 1.00 30.25 H new ATOM 0 HG1 THR A 3 -2.743 5.335 11.151 1.00 35.21 H new ATOM 0 HG21 THR A 3 -1.525 3.344 11.667 1.00 3.44 H new ATOM 0 HG22 THR A 3 -0.789 2.470 10.303 1.00 3.44 H new ATOM 0 HG23 THR A 3 -0.118 4.034 10.824 1.00 3.44 H new ATOM 46 N VAL A 4 -0.309 2.292 7.541 1.00 64.11 N ATOM 47 CA VAL A 4 -0.283 1.016 6.835 1.00 51.35 C ATOM 48 C VAL A 4 -0.114 -0.147 7.807 1.00 51.21 C ATOM 49 O VAL A 4 0.266 0.047 8.962 1.00 10.31 O ATOM 50 CB VAL A 4 0.855 0.972 5.798 1.00 53.21 C ATOM 51 CG1 VAL A 4 0.510 1.831 4.591 1.00 50.24 C ATOM 52 CG2 VAL A 4 2.166 1.422 6.426 1.00 3.31 C ATOM 0 H VAL A 4 0.573 2.547 7.985 1.00 64.11 H new ATOM 0 HA VAL A 4 -1.239 0.920 6.320 1.00 51.35 H new ATOM 0 HB VAL A 4 0.976 -0.057 5.459 1.00 53.21 H new ATOM 0 HG11 VAL A 4 1.325 1.788 3.869 1.00 50.24 H new ATOM 0 HG12 VAL A 4 -0.404 1.459 4.129 1.00 50.24 H new ATOM 0 HG13 VAL A 4 0.361 2.863 4.909 1.00 50.24 H new ATOM 0 HG21 VAL A 4 2.959 1.385 5.679 1.00 3.31 H new ATOM 0 HG22 VAL A 4 2.062 2.443 6.794 1.00 3.31 H new ATOM 0 HG23 VAL A 4 2.418 0.761 7.256 1.00 3.31 H new ATOM 62 N ARG A 5 -0.398 -1.355 7.333 1.00 32.44 N ATOM 63 CA ARG A 5 -0.279 -2.549 8.159 1.00 11.23 C ATOM 64 C ARG A 5 0.401 -3.677 7.390 1.00 61.21 C ATOM 65 O ARG A 5 0.173 -3.852 6.193 1.00 23.51 O ATOM 66 CB ARG A 5 -1.659 -3.004 8.638 1.00 0.35 C ATOM 67 CG ARG A 5 -2.451 -1.912 9.340 1.00 71.51 C ATOM 68 CD ARG A 5 -1.872 -1.596 10.710 1.00 32.02 C ATOM 69 NE ARG A 5 -2.866 -1.002 11.600 1.00 42.14 N ATOM 70 CZ ARG A 5 -2.654 -0.781 12.893 1.00 13.15 C ATOM 71 NH1 ARG A 5 -1.492 -1.102 13.442 1.00 40.44 N ATOM 72 NH2 ARG A 5 -3.608 -0.236 13.638 1.00 60.21 N ATOM 0 H ARG A 5 -0.713 -1.533 6.379 1.00 32.44 H new ATOM 0 HA ARG A 5 0.335 -2.301 9.025 1.00 11.23 H new ATOM 0 HB2 ARG A 5 -2.231 -3.363 7.782 1.00 0.35 H new ATOM 0 HB3 ARG A 5 -1.538 -3.848 9.318 1.00 0.35 H new ATOM 0 HG2 ARG A 5 -2.451 -1.010 8.727 1.00 71.51 H new ATOM 0 HG3 ARG A 5 -3.489 -2.226 9.446 1.00 71.51 H new ATOM 0 HD2 ARG A 5 -1.483 -2.510 11.159 1.00 32.02 H new ATOM 0 HD3 ARG A 5 -1.030 -0.913 10.599 1.00 32.02 H new ATOM 0 HE ARG A 5 -3.771 -0.743 11.208 1.00 42.14 H new ATOM 0 HH11 ARG A 5 -0.757 -1.520 12.872 1.00 40.44 H new ATOM 0 HH12 ARG A 5 -1.332 -0.931 14.435 1.00 40.44 H new ATOM 0 HH21 ARG A 5 -4.503 0.013 13.218 1.00 60.21 H new ATOM 0 HH22 ARG A 5 -3.446 -0.066 14.631 1.00 60.21 H new ATOM 83 N TYR A 6 1.238 -4.440 8.086 1.00 24.42 N ATOM 84 CA TYR A 6 1.954 -5.550 7.468 1.00 1.13 C ATOM 85 C TYR A 6 1.955 -6.773 8.380 1.00 52.12 C ATOM 86 O TYR A 6 2.034 -6.649 9.603 1.00 24.10 O ATOM 87 CB TYR A 6 3.392 -5.139 7.144 1.00 1.14 C ATOM 88 CG TYR A 6 3.492 -3.839 6.376 1.00 44.54 C ATOM 89 CD1 TYR A 6 2.880 -3.693 5.137 1.00 54.44 C ATOM 90 CD2 TYR A 6 4.198 -2.759 6.892 1.00 4.24 C ATOM 91 CE1 TYR A 6 2.971 -2.507 4.434 1.00 1.35 C ATOM 92 CE2 TYR A 6 4.292 -1.570 6.195 1.00 45.11 C ATOM 93 CZ TYR A 6 3.677 -1.449 4.966 1.00 5.30 C ATOM 94 OH TYR A 6 3.768 -0.267 4.269 1.00 20.11 O ATOM 0 H TYR A 6 1.437 -4.310 9.078 1.00 24.42 H new ATOM 0 HA TYR A 6 1.440 -5.811 6.543 1.00 1.13 H new ATOM 0 HB2 TYR A 6 3.953 -5.046 8.074 1.00 1.14 H new ATOM 0 HB3 TYR A 6 3.866 -5.931 6.564 1.00 1.14 H new ATOM 0 HD1 TYR A 6 2.325 -4.519 4.717 1.00 54.44 H new ATOM 0 HD2 TYR A 6 4.681 -2.851 7.854 1.00 4.24 H new ATOM 0 HE1 TYR A 6 2.491 -2.409 3.472 1.00 1.35 H new ATOM 0 HE2 TYR A 6 4.844 -0.740 6.610 1.00 45.11 H new ATOM 0 HH TYR A 6 4.674 0.097 4.358 1.00 20.11 H new ATOM 103 N TYR A 7 1.868 -7.953 7.776 1.00 33.10 N ATOM 104 CA TYR A 7 1.857 -9.199 8.533 1.00 61.54 C ATOM 105 C TYR A 7 3.220 -9.885 8.472 1.00 24.52 C ATOM 106 O TYR A 7 4.156 -9.377 7.855 1.00 23.43 O ATOM 107 CB TYR A 7 0.778 -10.138 7.994 1.00 3.53 C ATOM 108 CG TYR A 7 -0.550 -10.005 8.707 1.00 1.11 C ATOM 109 CD1 TYR A 7 -1.205 -8.782 8.774 1.00 24.24 C ATOM 110 CD2 TYR A 7 -1.148 -11.104 9.312 1.00 14.33 C ATOM 111 CE1 TYR A 7 -2.418 -8.657 9.424 1.00 14.41 C ATOM 112 CE2 TYR A 7 -2.361 -10.987 9.964 1.00 61.42 C ATOM 113 CZ TYR A 7 -2.991 -9.763 10.018 1.00 35.33 C ATOM 114 OH TYR A 7 -4.199 -9.641 10.665 1.00 1.42 O ATOM 0 H TYR A 7 1.804 -8.073 6.765 1.00 33.10 H new ATOM 0 HA TYR A 7 1.635 -8.961 9.573 1.00 61.54 H new ATOM 0 HB2 TYR A 7 0.633 -9.940 6.932 1.00 3.53 H new ATOM 0 HB3 TYR A 7 1.127 -11.167 8.081 1.00 3.53 H new ATOM 0 HD1 TYR A 7 -0.759 -7.914 8.310 1.00 24.24 H new ATOM 0 HD2 TYR A 7 -0.657 -12.065 9.272 1.00 14.33 H new ATOM 0 HE1 TYR A 7 -2.915 -7.699 9.467 1.00 14.41 H new ATOM 0 HE2 TYR A 7 -2.813 -11.851 10.429 1.00 61.42 H new ATOM 0 HH TYR A 7 -4.871 -9.297 10.040 1.00 1.42 H new ATOM 123 N ALA A 8 3.321 -11.043 9.116 1.00 32.14 N ATOM 124 CA ALA A 8 4.566 -11.801 9.134 1.00 34.04 C ATOM 125 C ALA A 8 5.060 -12.078 7.718 1.00 32.12 C ATOM 126 O ALA A 8 6.255 -12.272 7.492 1.00 14.51 O ATOM 127 CB ALA A 8 4.378 -13.105 9.895 1.00 73.40 C ATOM 0 H ALA A 8 2.556 -11.477 9.632 1.00 32.14 H new ATOM 0 HA ALA A 8 5.321 -11.202 9.643 1.00 34.04 H new ATOM 0 HB1 ALA A 8 5.315 -13.661 9.901 1.00 73.40 H new ATOM 0 HB2 ALA A 8 4.079 -12.888 10.920 1.00 73.40 H new ATOM 0 HB3 ALA A 8 3.605 -13.701 9.410 1.00 73.40 H new ATOM 133 N THR A 9 4.132 -12.096 6.765 1.00 50.44 N ATOM 134 CA THR A 9 4.474 -12.351 5.372 1.00 22.13 C ATOM 135 C THR A 9 5.162 -11.144 4.744 1.00 31.41 C ATOM 136 O THR A 9 5.943 -11.282 3.801 1.00 42.41 O ATOM 137 CB THR A 9 3.224 -12.704 4.543 1.00 33.22 C ATOM 138 OG1 THR A 9 2.040 -12.434 5.303 1.00 74.35 O ATOM 139 CG2 THR A 9 3.245 -14.167 4.129 1.00 20.32 C ATOM 0 H THR A 9 3.139 -11.937 6.933 1.00 50.44 H new ATOM 0 HA THR A 9 5.158 -13.200 5.365 1.00 22.13 H new ATOM 0 HB THR A 9 3.226 -12.089 3.643 1.00 33.22 H new ATOM 0 HG1 THR A 9 1.698 -13.270 5.684 1.00 74.35 H new ATOM 0 HG21 THR A 9 2.353 -14.393 3.545 1.00 20.32 H new ATOM 0 HG22 THR A 9 4.132 -14.362 3.526 1.00 20.32 H new ATOM 0 HG23 THR A 9 3.265 -14.797 5.019 1.00 20.32 H new ATOM 147 N LEU A 10 4.869 -9.961 5.272 1.00 21.05 N ATOM 148 CA LEU A 10 5.461 -8.728 4.764 1.00 71.01 C ATOM 149 C LEU A 10 6.516 -8.193 5.727 1.00 4.14 C ATOM 150 O LEU A 10 6.994 -7.069 5.577 1.00 2.13 O ATOM 151 CB LEU A 10 4.376 -7.674 4.539 1.00 32.23 C ATOM 152 CG LEU A 10 3.402 -7.946 3.392 1.00 34.40 C ATOM 153 CD1 LEU A 10 2.400 -9.019 3.786 1.00 42.40 C ATOM 154 CD2 LEU A 10 2.686 -6.666 2.986 1.00 12.52 C ATOM 0 H LEU A 10 4.225 -9.829 6.052 1.00 21.05 H new ATOM 0 HA LEU A 10 5.945 -8.951 3.813 1.00 71.01 H new ATOM 0 HB2 LEU A 10 3.802 -7.571 5.460 1.00 32.23 H new ATOM 0 HB3 LEU A 10 4.861 -6.715 4.357 1.00 32.23 H new ATOM 0 HG LEU A 10 3.971 -8.307 2.535 1.00 34.40 H new ATOM 0 HD11 LEU A 10 1.715 -9.199 2.957 1.00 42.40 H new ATOM 0 HD12 LEU A 10 2.930 -9.941 4.026 1.00 42.40 H new ATOM 0 HD13 LEU A 10 1.836 -8.687 4.658 1.00 42.40 H new ATOM 0 HD21 LEU A 10 1.997 -6.878 2.169 1.00 12.52 H new ATOM 0 HD22 LEU A 10 2.129 -6.275 3.838 1.00 12.52 H new ATOM 0 HD23 LEU A 10 3.418 -5.927 2.661 1.00 12.52 H new ATOM 165 N ARG A 11 6.874 -9.006 6.715 1.00 1.30 N ATOM 166 CA ARG A 11 7.873 -8.614 7.702 1.00 1.33 C ATOM 167 C ARG A 11 9.196 -8.266 7.028 1.00 14.14 C ATOM 168 O ARG A 11 9.706 -7.150 7.146 1.00 23.40 O ATOM 169 CB ARG A 11 8.086 -9.740 8.717 1.00 15.14 C ATOM 170 CG ARG A 11 7.794 -9.329 10.151 1.00 4.53 C ATOM 171 CD ARG A 11 6.357 -8.856 10.314 1.00 74.33 C ATOM 172 NE ARG A 11 5.710 -9.459 11.475 1.00 41.41 N ATOM 173 CZ ARG A 11 6.015 -9.150 12.730 1.00 54.22 C ATOM 174 NH1 ARG A 11 6.953 -8.247 12.985 1.00 4.33 N ATOM 175 NH2 ARG A 11 5.381 -9.742 13.734 1.00 44.21 N ATOM 0 H ARG A 11 6.488 -9.940 6.853 1.00 1.30 H new ATOM 0 HA ARG A 11 7.506 -7.729 8.222 1.00 1.33 H new ATOM 0 HB2 ARG A 11 7.447 -10.583 8.452 1.00 15.14 H new ATOM 0 HB3 ARG A 11 9.117 -10.088 8.650 1.00 15.14 H new ATOM 0 HG2 ARG A 11 7.978 -10.172 10.817 1.00 4.53 H new ATOM 0 HG3 ARG A 11 8.476 -8.533 10.448 1.00 4.53 H new ATOM 0 HD2 ARG A 11 6.342 -7.771 10.414 1.00 74.33 H new ATOM 0 HD3 ARG A 11 5.791 -9.101 9.416 1.00 74.33 H new ATOM 0 HE ARG A 11 4.983 -10.156 11.314 1.00 41.41 H new ATOM 0 HH11 ARG A 11 7.442 -7.788 12.216 1.00 4.33 H new ATOM 0 HH12 ARG A 11 7.185 -8.011 13.950 1.00 4.33 H new ATOM 0 HH21 ARG A 11 4.658 -10.436 13.542 1.00 44.21 H new ATOM 0 HH22 ARG A 11 5.617 -9.503 14.697 1.00 44.21 H new ATOM 186 N PRO A 12 9.768 -9.240 6.305 1.00 23.15 N ATOM 187 CA PRO A 12 11.038 -9.060 5.598 1.00 51.05 C ATOM 188 C PRO A 12 10.910 -8.116 4.407 1.00 2.00 C ATOM 189 O PRO A 12 11.909 -7.724 3.803 1.00 52.55 O ATOM 190 CB PRO A 12 11.385 -10.474 5.125 1.00 33.02 C ATOM 191 CG PRO A 12 10.074 -11.175 5.033 1.00 34.40 C ATOM 192 CD PRO A 12 9.216 -10.593 6.122 1.00 30.22 C ATOM 0 HA PRO A 12 11.799 -8.611 6.236 1.00 51.05 H new ATOM 0 HB2 PRO A 12 11.893 -10.455 4.161 1.00 33.02 H new ATOM 0 HB3 PRO A 12 12.053 -10.974 5.827 1.00 33.02 H new ATOM 0 HG2 PRO A 12 9.618 -11.024 4.054 1.00 34.40 H new ATOM 0 HG3 PRO A 12 10.196 -12.250 5.165 1.00 34.40 H new ATOM 0 HD2 PRO A 12 8.165 -10.563 5.833 1.00 30.22 H new ATOM 0 HD3 PRO A 12 9.278 -11.179 7.039 1.00 30.22 H new ATOM 197 N ILE A 13 9.675 -7.757 4.073 1.00 33.41 N ATOM 198 CA ILE A 13 9.418 -6.858 2.954 1.00 74.23 C ATOM 199 C ILE A 13 9.255 -5.419 3.431 1.00 72.05 C ATOM 200 O ILE A 13 9.465 -4.473 2.671 1.00 3.32 O ATOM 201 CB ILE A 13 8.156 -7.275 2.176 1.00 34.05 C ATOM 202 CG1 ILE A 13 8.108 -8.796 2.016 1.00 62.01 C ATOM 203 CG2 ILE A 13 8.123 -6.593 0.817 1.00 35.15 C ATOM 204 CD1 ILE A 13 6.904 -9.284 1.243 1.00 23.23 C ATOM 0 H ILE A 13 8.837 -8.074 4.561 1.00 33.41 H new ATOM 0 HA ILE A 13 10.282 -6.923 2.292 1.00 74.23 H new ATOM 0 HB ILE A 13 7.278 -6.960 2.741 1.00 34.05 H new ATOM 0 HG12 ILE A 13 9.014 -9.129 1.510 1.00 62.01 H new ATOM 0 HG13 ILE A 13 8.107 -9.257 3.004 1.00 62.01 H new ATOM 0 HG21 ILE A 13 7.225 -6.897 0.279 1.00 35.15 H new ATOM 0 HG22 ILE A 13 8.115 -5.512 0.953 1.00 35.15 H new ATOM 0 HG23 ILE A 13 9.005 -6.881 0.244 1.00 35.15 H new ATOM 0 HD11 ILE A 13 6.936 -10.371 1.169 1.00 23.23 H new ATOM 0 HD12 ILE A 13 5.993 -8.982 1.760 1.00 23.23 H new ATOM 0 HD13 ILE A 13 6.914 -8.851 0.243 1.00 23.23 H new ATOM 215 N THR A 14 8.882 -5.260 4.698 1.00 34.40 N ATOM 216 CA THR A 14 8.692 -3.936 5.278 1.00 62.12 C ATOM 217 C THR A 14 9.767 -3.631 6.314 1.00 33.31 C ATOM 218 O THR A 14 9.673 -2.648 7.051 1.00 4.00 O ATOM 219 CB THR A 14 7.307 -3.805 5.938 1.00 44.21 C ATOM 220 OG1 THR A 14 7.053 -2.438 6.280 1.00 22.10 O ATOM 221 CG2 THR A 14 7.218 -4.670 7.186 1.00 61.15 C ATOM 0 H THR A 14 8.706 -6.032 5.341 1.00 34.40 H new ATOM 0 HA THR A 14 8.765 -3.219 4.460 1.00 62.12 H new ATOM 0 HB THR A 14 6.556 -4.145 5.225 1.00 44.21 H new ATOM 0 HG1 THR A 14 6.153 -2.358 6.660 1.00 22.10 H new ATOM 0 HG21 THR A 14 6.231 -4.561 7.635 1.00 61.15 H new ATOM 0 HG22 THR A 14 7.381 -5.714 6.918 1.00 61.15 H new ATOM 0 HG23 THR A 14 7.978 -4.356 7.901 1.00 61.15 H new ATOM 229 N LYS A 15 10.790 -4.477 6.366 1.00 62.21 N ATOM 230 CA LYS A 15 11.886 -4.296 7.311 1.00 3.23 C ATOM 231 C LYS A 15 11.383 -4.385 8.749 1.00 64.43 C ATOM 232 O LYS A 15 12.023 -3.881 9.673 1.00 2.32 O ATOM 233 CB LYS A 15 12.569 -2.947 7.081 1.00 24.23 C ATOM 234 CG LYS A 15 13.986 -2.882 7.623 1.00 13.24 C ATOM 235 CD LYS A 15 14.716 -1.643 7.130 1.00 3.34 C ATOM 236 CE LYS A 15 14.446 -0.444 8.026 1.00 13.43 C ATOM 237 NZ LYS A 15 13.104 0.148 7.772 1.00 23.51 N ATOM 0 H LYS A 15 10.883 -5.295 5.764 1.00 62.21 H new ATOM 0 HA LYS A 15 12.610 -5.094 7.147 1.00 3.23 H new ATOM 0 HB2 LYS A 15 12.588 -2.737 6.012 1.00 24.23 H new ATOM 0 HB3 LYS A 15 11.974 -2.163 7.549 1.00 24.23 H new ATOM 0 HG2 LYS A 15 13.960 -2.880 8.713 1.00 13.24 H new ATOM 0 HG3 LYS A 15 14.534 -3.774 7.319 1.00 13.24 H new ATOM 0 HD2 LYS A 15 15.788 -1.840 7.097 1.00 3.34 H new ATOM 0 HD3 LYS A 15 14.402 -1.415 6.111 1.00 3.34 H new ATOM 0 HE2 LYS A 15 14.517 -0.748 9.070 1.00 13.43 H new ATOM 0 HE3 LYS A 15 15.213 0.312 7.861 1.00 13.43 H new ATOM 0 HZ1 LYS A 15 13.152 1.180 7.890 1.00 23.51 H new ATOM 0 HZ2 LYS A 15 12.804 -0.076 6.802 1.00 23.51 H new ATOM 0 HZ3 LYS A 15 12.417 -0.246 8.447 1.00 23.51 H new ATOM 247 N LYS A 16 10.237 -5.031 8.932 1.00 34.02 N ATOM 248 CA LYS A 16 9.649 -5.188 10.257 1.00 33.40 C ATOM 249 C LYS A 16 9.556 -3.845 10.974 1.00 34.45 C ATOM 250 O LYS A 16 10.230 -3.616 11.978 1.00 50.21 O ATOM 251 CB LYS A 16 10.479 -6.166 11.091 1.00 45.23 C ATOM 252 CG LYS A 16 10.868 -7.428 10.341 1.00 3.32 C ATOM 253 CD LYS A 16 11.063 -8.601 11.287 1.00 64.32 C ATOM 254 CE LYS A 16 12.420 -8.544 11.973 1.00 52.10 C ATOM 255 NZ LYS A 16 12.928 -9.903 12.312 1.00 30.53 N ATOM 0 H LYS A 16 9.696 -5.455 8.178 1.00 34.02 H new ATOM 0 HA LYS A 16 8.641 -5.585 10.136 1.00 33.40 H new ATOM 0 HB2 LYS A 16 11.384 -5.663 11.432 1.00 45.23 H new ATOM 0 HB3 LYS A 16 9.913 -6.442 11.981 1.00 45.23 H new ATOM 0 HG2 LYS A 16 10.095 -7.672 9.612 1.00 3.32 H new ATOM 0 HG3 LYS A 16 11.788 -7.252 9.784 1.00 3.32 H new ATOM 0 HD2 LYS A 16 10.274 -8.599 12.039 1.00 64.32 H new ATOM 0 HD3 LYS A 16 10.973 -9.535 10.733 1.00 64.32 H new ATOM 0 HE2 LYS A 16 13.135 -8.041 11.322 1.00 52.10 H new ATOM 0 HE3 LYS A 16 12.342 -7.948 12.882 1.00 52.10 H new ATOM 0 HZ1 LYS A 16 13.854 -9.821 12.778 1.00 30.53 H new ATOM 0 HZ2 LYS A 16 12.258 -10.374 12.953 1.00 30.53 H new ATOM 0 HZ3 LYS A 16 13.026 -10.464 11.442 1.00 30.53 H new ATOM 265 N LYS A 17 8.713 -2.959 10.453 1.00 5.11 N ATOM 266 CA LYS A 17 8.528 -1.639 11.044 1.00 33.24 C ATOM 267 C LYS A 17 7.389 -0.891 10.358 1.00 42.40 C ATOM 268 O LYS A 17 7.380 -0.741 9.137 1.00 72.34 O ATOM 269 CB LYS A 17 9.820 -0.826 10.942 1.00 22.41 C ATOM 270 CG LYS A 17 9.961 0.232 12.023 1.00 42.32 C ATOM 271 CD LYS A 17 11.413 0.627 12.232 1.00 30.51 C ATOM 272 CE LYS A 17 11.871 1.632 11.185 1.00 61.55 C ATOM 273 NZ LYS A 17 11.526 3.028 11.568 1.00 30.31 N ATOM 0 H LYS A 17 8.147 -3.132 9.622 1.00 5.11 H new ATOM 0 HA LYS A 17 8.272 -1.772 12.095 1.00 33.24 H new ATOM 0 HB2 LYS A 17 10.671 -1.504 10.996 1.00 22.41 H new ATOM 0 HB3 LYS A 17 9.859 -0.343 9.966 1.00 22.41 H new ATOM 0 HG2 LYS A 17 9.379 1.112 11.749 1.00 42.32 H new ATOM 0 HG3 LYS A 17 9.548 -0.145 12.958 1.00 42.32 H new ATOM 0 HD2 LYS A 17 11.536 1.054 13.227 1.00 30.51 H new ATOM 0 HD3 LYS A 17 12.043 -0.261 12.187 1.00 30.51 H new ATOM 0 HE2 LYS A 17 12.949 1.549 11.049 1.00 61.55 H new ATOM 0 HE3 LYS A 17 11.410 1.394 10.227 1.00 61.55 H new ATOM 0 HZ1 LYS A 17 12.319 3.658 11.334 1.00 30.31 H new ATOM 0 HZ2 LYS A 17 10.678 3.331 11.048 1.00 30.31 H new ATOM 0 HZ3 LYS A 17 11.339 3.071 12.590 1.00 30.31 H new ATOM 283 N GLU A 18 6.431 -0.423 11.153 1.00 23.34 N ATOM 284 CA GLU A 18 5.288 0.310 10.620 1.00 40.52 C ATOM 285 C GLU A 18 5.272 1.744 11.142 1.00 32.02 C ATOM 286 O GLU A 18 5.627 2.001 12.291 1.00 55.23 O ATOM 287 CB GLU A 18 3.983 -0.396 10.994 1.00 50.43 C ATOM 288 CG GLU A 18 2.740 0.421 10.686 1.00 73.00 C ATOM 289 CD GLU A 18 2.374 1.374 11.807 1.00 52.14 C ATOM 290 OE1 GLU A 18 2.478 0.973 12.985 1.00 55.31 O ATOM 291 OE2 GLU A 18 1.985 2.522 11.506 1.00 2.13 O ATOM 0 H GLU A 18 6.424 -0.538 12.166 1.00 23.34 H new ATOM 0 HA GLU A 18 5.379 0.338 9.534 1.00 40.52 H new ATOM 0 HB2 GLU A 18 3.926 -1.344 10.459 1.00 50.43 H new ATOM 0 HB3 GLU A 18 3.999 -0.631 12.058 1.00 50.43 H new ATOM 0 HG2 GLU A 18 2.901 0.989 9.770 1.00 73.00 H new ATOM 0 HG3 GLU A 18 1.904 -0.253 10.500 1.00 73.00 H new ATOM 296 N GLU A 19 4.856 2.673 10.287 1.00 35.52 N ATOM 297 CA GLU A 19 4.795 4.081 10.661 1.00 50.12 C ATOM 298 C GLU A 19 3.785 4.830 9.795 1.00 53.32 C ATOM 299 O GLU A 19 3.381 4.350 8.736 1.00 31.12 O ATOM 300 CB GLU A 19 6.175 4.728 10.528 1.00 2.41 C ATOM 301 CG GLU A 19 6.737 4.677 9.118 1.00 60.45 C ATOM 302 CD GLU A 19 8.251 4.775 9.090 1.00 24.40 C ATOM 303 OE1 GLU A 19 8.894 4.306 10.052 1.00 32.41 O ATOM 304 OE2 GLU A 19 8.792 5.319 8.105 1.00 72.30 O ATOM 0 H GLU A 19 4.557 2.476 9.332 1.00 35.52 H new ATOM 0 HA GLU A 19 4.473 4.141 11.701 1.00 50.12 H new ATOM 0 HB2 GLU A 19 6.112 5.768 10.848 1.00 2.41 H new ATOM 0 HB3 GLU A 19 6.868 4.228 11.205 1.00 2.41 H new ATOM 0 HG2 GLU A 19 6.428 3.747 8.641 1.00 60.45 H new ATOM 0 HG3 GLU A 19 6.313 5.492 8.532 1.00 60.45 H new ATOM 309 N THR A 20 3.380 6.010 10.256 1.00 32.22 N ATOM 310 CA THR A 20 2.417 6.825 9.526 1.00 14.32 C ATOM 311 C THR A 20 3.111 7.949 8.767 1.00 71.54 C ATOM 312 O THR A 20 4.131 8.476 9.213 1.00 30.22 O ATOM 313 CB THR A 20 1.365 7.434 10.474 1.00 22.55 C ATOM 314 OG1 THR A 20 2.009 8.014 11.612 1.00 12.51 O ATOM 315 CG2 THR A 20 0.372 6.376 10.930 1.00 13.32 C ATOM 0 H THR A 20 3.704 6.422 11.131 1.00 32.22 H new ATOM 0 HA THR A 20 1.918 6.165 8.816 1.00 14.32 H new ATOM 0 HB THR A 20 0.823 8.208 9.931 1.00 22.55 H new ATOM 0 HG1 THR A 20 1.847 8.980 11.622 1.00 12.51 H new ATOM 0 HG21 THR A 20 -0.361 6.829 11.598 1.00 13.32 H new ATOM 0 HG22 THR A 20 -0.138 5.957 10.062 1.00 13.32 H new ATOM 0 HG23 THR A 20 0.902 5.583 11.457 1.00 13.32 H new ATOM 323 N PHE A 21 2.553 8.314 7.617 1.00 4.30 N ATOM 324 CA PHE A 21 3.119 9.377 6.795 1.00 44.22 C ATOM 325 C PHE A 21 2.050 10.396 6.410 1.00 5.50 C ATOM 326 O PHE A 21 0.898 10.039 6.167 1.00 60.31 O ATOM 327 CB PHE A 21 3.758 8.790 5.535 1.00 20.35 C ATOM 328 CG PHE A 21 5.187 8.371 5.726 1.00 60.25 C ATOM 329 CD1 PHE A 21 6.206 9.308 5.708 1.00 54.13 C ATOM 330 CD2 PHE A 21 5.511 7.038 5.924 1.00 53.34 C ATOM 331 CE1 PHE A 21 7.523 8.925 5.885 1.00 14.33 C ATOM 332 CE2 PHE A 21 6.825 6.649 6.102 1.00 35.31 C ATOM 333 CZ PHE A 21 7.833 7.594 6.081 1.00 35.01 C ATOM 0 H PHE A 21 1.709 7.889 7.233 1.00 4.30 H new ATOM 0 HA PHE A 21 3.885 9.885 7.380 1.00 44.22 H new ATOM 0 HB2 PHE A 21 3.176 7.928 5.210 1.00 20.35 H new ATOM 0 HB3 PHE A 21 3.708 9.528 4.735 1.00 20.35 H new ATOM 0 HD1 PHE A 21 5.970 10.350 5.554 1.00 54.13 H new ATOM 0 HD2 PHE A 21 4.728 6.295 5.939 1.00 53.34 H new ATOM 0 HE1 PHE A 21 8.308 9.666 5.870 1.00 14.33 H new ATOM 0 HE2 PHE A 21 7.064 5.607 6.257 1.00 35.31 H new ATOM 0 HZ PHE A 21 8.861 7.292 6.218 1.00 35.01 H new ATOM 342 N ASN A 22 2.442 11.664 6.359 1.00 21.12 N ATOM 343 CA ASN A 22 1.517 12.736 6.006 1.00 64.40 C ATOM 344 C ASN A 22 1.970 13.447 4.734 1.00 13.22 C ATOM 345 O ASN A 22 3.124 13.333 4.324 1.00 53.31 O ATOM 346 CB ASN A 22 1.404 13.740 7.153 1.00 53.44 C ATOM 347 CG ASN A 22 0.306 14.760 6.923 1.00 40.50 C ATOM 348 OD1 ASN A 22 -0.879 14.451 7.046 1.00 61.03 O ATOM 349 ND2 ASN A 22 0.697 15.985 6.588 1.00 43.54 N ATOM 0 H ASN A 22 3.393 11.975 6.557 1.00 21.12 H new ATOM 0 HA ASN A 22 0.538 12.292 5.825 1.00 64.40 H new ATOM 0 HB2 ASN A 22 1.210 13.205 8.083 1.00 53.44 H new ATOM 0 HB3 ASN A 22 2.356 14.256 7.275 1.00 53.44 H new ATOM 0 HD21 ASN A 22 0.003 16.714 6.421 1.00 43.54 H new ATOM 0 HD22 ASN A 22 1.691 16.196 6.497 1.00 43.54 H new ATOM 355 N GLY A 23 1.053 14.185 4.115 1.00 5.44 N ATOM 356 CA GLY A 23 1.376 14.905 2.898 1.00 45.22 C ATOM 357 C GLY A 23 0.332 14.714 1.816 1.00 51.04 C ATOM 358 O GLY A 23 -0.318 15.672 1.396 1.00 71.23 O ATOM 0 H GLY A 23 0.091 14.297 4.436 1.00 5.44 H new ATOM 0 HA2 GLY A 23 1.472 15.967 3.123 1.00 45.22 H new ATOM 0 HA3 GLY A 23 2.344 14.569 2.527 1.00 45.22 H new ATOM 362 N ILE A 24 0.171 13.476 1.363 1.00 64.43 N ATOM 363 CA ILE A 24 -0.801 13.163 0.323 1.00 73.31 C ATOM 364 C ILE A 24 -1.968 12.359 0.884 1.00 50.55 C ATOM 365 O ILE A 24 -1.786 11.506 1.753 1.00 24.12 O ATOM 366 CB ILE A 24 -0.156 12.374 -0.832 1.00 43.31 C ATOM 367 CG1 ILE A 24 0.955 13.199 -1.485 1.00 4.34 C ATOM 368 CG2 ILE A 24 -1.209 11.984 -1.859 1.00 61.41 C ATOM 369 CD1 ILE A 24 0.456 14.456 -2.162 1.00 2.42 C ATOM 0 H ILE A 24 0.701 12.673 1.700 1.00 64.43 H new ATOM 0 HA ILE A 24 -1.170 14.115 -0.060 1.00 73.31 H new ATOM 0 HB ILE A 24 0.285 11.462 -0.429 1.00 43.31 H new ATOM 0 HG12 ILE A 24 1.688 13.472 -0.726 1.00 4.34 H new ATOM 0 HG13 ILE A 24 1.471 12.581 -2.219 1.00 4.34 H new ATOM 0 HG21 ILE A 24 -0.738 11.427 -2.669 1.00 61.41 H new ATOM 0 HG22 ILE A 24 -1.968 11.362 -1.384 1.00 61.41 H new ATOM 0 HG23 ILE A 24 -1.676 12.883 -2.260 1.00 61.41 H new ATOM 0 HD11 ILE A 24 1.298 14.990 -2.603 1.00 2.42 H new ATOM 0 HD12 ILE A 24 -0.255 14.190 -2.944 1.00 2.42 H new ATOM 0 HD13 ILE A 24 -0.035 15.095 -1.427 1.00 2.42 H new ATOM 380 N SER A 25 -3.167 12.636 0.382 1.00 63.03 N ATOM 381 CA SER A 25 -4.366 11.939 0.835 1.00 60.43 C ATOM 382 C SER A 25 -4.978 11.119 -0.297 1.00 51.04 C ATOM 383 O SER A 25 -6.155 11.273 -0.624 1.00 2.11 O ATOM 384 CB SER A 25 -5.392 12.940 1.368 1.00 54.40 C ATOM 385 OG SER A 25 -5.363 14.146 0.624 1.00 72.42 O ATOM 0 H SER A 25 -3.334 13.338 -0.339 1.00 63.03 H new ATOM 0 HA SER A 25 -4.080 11.260 1.638 1.00 60.43 H new ATOM 0 HB2 SER A 25 -6.390 12.503 1.320 1.00 54.40 H new ATOM 0 HB3 SER A 25 -5.187 13.152 2.417 1.00 54.40 H new ATOM 0 HG SER A 25 -6.029 14.768 0.984 1.00 72.42 H new ATOM 390 N LYS A 26 -4.170 10.248 -0.891 1.00 71.31 N ATOM 391 CA LYS A 26 -4.630 9.402 -1.986 1.00 31.14 C ATOM 392 C LYS A 26 -3.841 8.097 -2.033 1.00 11.03 C ATOM 393 O LYS A 26 -2.691 8.040 -1.596 1.00 31.30 O ATOM 394 CB LYS A 26 -4.496 10.140 -3.319 1.00 23.43 C ATOM 395 CG LYS A 26 -5.408 11.348 -3.441 1.00 10.22 C ATOM 396 CD LYS A 26 -5.175 12.095 -4.744 1.00 42.01 C ATOM 397 CE LYS A 26 -6.477 12.625 -5.323 1.00 13.42 C ATOM 398 NZ LYS A 26 -6.240 13.661 -6.366 1.00 64.53 N ATOM 0 H LYS A 26 -3.193 10.109 -0.633 1.00 71.31 H new ATOM 0 HA LYS A 26 -5.680 9.165 -1.813 1.00 31.14 H new ATOM 0 HB2 LYS A 26 -3.462 10.462 -3.444 1.00 23.43 H new ATOM 0 HB3 LYS A 26 -4.714 9.447 -4.132 1.00 23.43 H new ATOM 0 HG2 LYS A 26 -6.448 11.027 -3.386 1.00 10.22 H new ATOM 0 HG3 LYS A 26 -5.237 12.020 -2.600 1.00 10.22 H new ATOM 0 HD2 LYS A 26 -4.488 12.924 -4.572 1.00 42.01 H new ATOM 0 HD3 LYS A 26 -4.699 11.431 -5.465 1.00 42.01 H new ATOM 0 HE2 LYS A 26 -7.045 11.800 -5.753 1.00 13.42 H new ATOM 0 HE3 LYS A 26 -7.085 13.048 -4.523 1.00 13.42 H new ATOM 0 HZ1 LYS A 26 -7.152 13.997 -6.736 1.00 64.53 H new ATOM 0 HZ2 LYS A 26 -5.720 14.460 -5.950 1.00 64.53 H new ATOM 0 HZ3 LYS A 26 -5.682 13.251 -7.142 1.00 64.53 H new ATOM 408 N ILE A 27 -4.466 7.053 -2.567 1.00 61.33 N ATOM 409 CA ILE A 27 -3.820 5.750 -2.673 1.00 62.01 C ATOM 410 C ILE A 27 -2.725 5.763 -3.735 1.00 15.12 C ATOM 411 O ILE A 27 -1.765 4.998 -3.660 1.00 62.04 O ATOM 412 CB ILE A 27 -4.837 4.645 -3.015 1.00 42.25 C ATOM 413 CG1 ILE A 27 -5.802 4.431 -1.847 1.00 3.21 C ATOM 414 CG2 ILE A 27 -4.115 3.349 -3.356 1.00 35.22 C ATOM 415 CD1 ILE A 27 -5.154 3.801 -0.635 1.00 54.51 C ATOM 0 H ILE A 27 -5.418 7.084 -2.933 1.00 61.33 H new ATOM 0 HA ILE A 27 -3.377 5.538 -1.700 1.00 62.01 H new ATOM 0 HB ILE A 27 -5.413 4.958 -3.886 1.00 42.25 H new ATOM 0 HG12 ILE A 27 -6.232 5.391 -1.561 1.00 3.21 H new ATOM 0 HG13 ILE A 27 -6.626 3.799 -2.178 1.00 3.21 H new ATOM 0 HG21 ILE A 27 -4.846 2.577 -3.596 1.00 35.22 H new ATOM 0 HG22 ILE A 27 -3.463 3.511 -4.215 1.00 35.22 H new ATOM 0 HG23 ILE A 27 -3.517 3.030 -2.502 1.00 35.22 H new ATOM 0 HD11 ILE A 27 -5.897 3.679 0.153 1.00 54.51 H new ATOM 0 HD12 ILE A 27 -4.748 2.826 -0.905 1.00 54.51 H new ATOM 0 HD13 ILE A 27 -4.349 4.443 -0.278 1.00 54.51 H new ATOM 426 N SER A 28 -2.877 6.642 -4.721 1.00 62.22 N ATOM 427 CA SER A 28 -1.901 6.755 -5.800 1.00 44.32 C ATOM 428 C SER A 28 -0.494 6.947 -5.242 1.00 3.51 C ATOM 429 O SER A 28 0.427 6.207 -5.588 1.00 54.15 O ATOM 430 CB SER A 28 -2.261 7.923 -6.721 1.00 43.15 C ATOM 431 OG SER A 28 -1.097 8.521 -7.264 1.00 51.24 O ATOM 0 H SER A 28 -3.665 7.285 -4.795 1.00 62.22 H new ATOM 0 HA SER A 28 -1.922 5.829 -6.374 1.00 44.32 H new ATOM 0 HB2 SER A 28 -2.902 7.569 -7.528 1.00 43.15 H new ATOM 0 HB3 SER A 28 -2.830 8.667 -6.164 1.00 43.15 H new ATOM 0 HG SER A 28 -1.354 9.263 -7.850 1.00 51.24 H new ATOM 436 N GLU A 29 -0.338 7.945 -4.377 1.00 24.12 N ATOM 437 CA GLU A 29 0.956 8.235 -3.773 1.00 40.14 C ATOM 438 C GLU A 29 1.315 7.184 -2.726 1.00 54.21 C ATOM 439 O GLU A 29 2.468 6.765 -2.619 1.00 70.45 O ATOM 440 CB GLU A 29 0.946 9.624 -3.134 1.00 55.21 C ATOM 441 CG GLU A 29 1.500 10.714 -4.036 1.00 30.02 C ATOM 442 CD GLU A 29 2.904 11.135 -3.648 1.00 64.43 C ATOM 443 OE1 GLU A 29 3.703 10.254 -3.265 1.00 33.01 O ATOM 444 OE2 GLU A 29 3.205 12.344 -3.726 1.00 23.34 O ATOM 0 H GLU A 29 -1.091 8.565 -4.080 1.00 24.12 H new ATOM 0 HA GLU A 29 1.709 8.211 -4.561 1.00 40.14 H new ATOM 0 HB2 GLU A 29 -0.077 9.879 -2.856 1.00 55.21 H new ATOM 0 HB3 GLU A 29 1.529 9.595 -2.213 1.00 55.21 H new ATOM 0 HG2 GLU A 29 1.503 10.361 -5.067 1.00 30.02 H new ATOM 0 HG3 GLU A 29 0.841 11.581 -3.998 1.00 30.02 H new ATOM 449 N LEU A 30 0.320 6.764 -1.953 1.00 4.30 N ATOM 450 CA LEU A 30 0.529 5.761 -0.913 1.00 14.35 C ATOM 451 C LEU A 30 1.162 4.500 -1.491 1.00 32.13 C ATOM 452 O LEU A 30 2.162 4.002 -0.974 1.00 52.34 O ATOM 453 CB LEU A 30 -0.799 5.416 -0.236 1.00 65.10 C ATOM 454 CG LEU A 30 -0.748 4.307 0.815 1.00 64.51 C ATOM 455 CD1 LEU A 30 -0.488 4.891 2.195 1.00 22.22 C ATOM 456 CD2 LEU A 30 -2.041 3.505 0.807 1.00 52.44 C ATOM 0 H LEU A 30 -0.640 7.102 -2.026 1.00 4.30 H new ATOM 0 HA LEU A 30 1.210 6.179 -0.171 1.00 14.35 H new ATOM 0 HB2 LEU A 30 -1.189 6.318 0.235 1.00 65.10 H new ATOM 0 HB3 LEU A 30 -1.512 5.126 -1.007 1.00 65.10 H new ATOM 0 HG LEU A 30 0.074 3.635 0.567 1.00 64.51 H new ATOM 0 HD11 LEU A 30 -0.455 4.087 2.930 1.00 22.22 H new ATOM 0 HD12 LEU A 30 0.465 5.420 2.193 1.00 22.22 H new ATOM 0 HD13 LEU A 30 -1.288 5.586 2.453 1.00 22.22 H new ATOM 0 HD21 LEU A 30 -1.987 2.720 1.561 1.00 52.44 H new ATOM 0 HD22 LEU A 30 -2.880 4.165 1.029 1.00 52.44 H new ATOM 0 HD23 LEU A 30 -2.184 3.055 -0.175 1.00 52.44 H new ATOM 467 N LEU A 31 0.574 3.989 -2.567 1.00 74.24 N ATOM 468 CA LEU A 31 1.082 2.787 -3.218 1.00 72.13 C ATOM 469 C LEU A 31 2.438 3.049 -3.866 1.00 14.33 C ATOM 470 O LEU A 31 3.396 2.310 -3.643 1.00 33.11 O ATOM 471 CB LEU A 31 0.088 2.294 -4.271 1.00 35.44 C ATOM 472 CG LEU A 31 -1.138 1.551 -3.741 1.00 64.10 C ATOM 473 CD1 LEU A 31 -2.030 1.105 -4.889 1.00 5.11 C ATOM 474 CD2 LEU A 31 -0.714 0.357 -2.897 1.00 63.32 C ATOM 0 H LEU A 31 -0.255 4.388 -3.007 1.00 74.24 H new ATOM 0 HA LEU A 31 1.207 2.017 -2.456 1.00 72.13 H new ATOM 0 HB2 LEU A 31 -0.254 3.153 -4.849 1.00 35.44 H new ATOM 0 HB3 LEU A 31 0.617 1.636 -4.961 1.00 35.44 H new ATOM 0 HG LEU A 31 -1.708 2.233 -3.110 1.00 64.10 H new ATOM 0 HD11 LEU A 31 -2.898 0.578 -4.492 1.00 5.11 H new ATOM 0 HD12 LEU A 31 -2.362 1.977 -5.452 1.00 5.11 H new ATOM 0 HD13 LEU A 31 -1.471 0.440 -5.547 1.00 5.11 H new ATOM 0 HD21 LEU A 31 -1.599 -0.160 -2.528 1.00 63.32 H new ATOM 0 HD22 LEU A 31 -0.122 -0.326 -3.505 1.00 63.32 H new ATOM 0 HD23 LEU A 31 -0.117 0.702 -2.053 1.00 63.32 H new ATOM 485 N GLU A 32 2.510 4.108 -4.666 1.00 63.44 N ATOM 486 CA GLU A 32 3.749 4.468 -5.345 1.00 72.44 C ATOM 487 C GLU A 32 4.899 4.594 -4.349 1.00 2.20 C ATOM 488 O GLU A 32 6.049 4.293 -4.670 1.00 42.33 O ATOM 489 CB GLU A 32 3.576 5.783 -6.108 1.00 62.32 C ATOM 490 CG GLU A 32 4.691 6.060 -7.103 1.00 74.22 C ATOM 491 CD GLU A 32 4.867 7.541 -7.384 1.00 45.33 C ATOM 492 OE1 GLU A 32 4.565 8.355 -6.487 1.00 45.41 O ATOM 493 OE2 GLU A 32 5.307 7.884 -8.501 1.00 51.52 O ATOM 0 H GLU A 32 1.726 4.731 -4.860 1.00 63.44 H new ATOM 0 HA GLU A 32 3.988 3.674 -6.053 1.00 72.44 H new ATOM 0 HB2 GLU A 32 2.624 5.763 -6.638 1.00 62.32 H new ATOM 0 HB3 GLU A 32 3.526 6.604 -5.393 1.00 62.32 H new ATOM 0 HG2 GLU A 32 5.626 5.653 -6.718 1.00 74.22 H new ATOM 0 HG3 GLU A 32 4.478 5.540 -8.037 1.00 74.22 H new ATOM 498 N ARG A 33 4.579 5.041 -3.139 1.00 15.54 N ATOM 499 CA ARG A 33 5.583 5.209 -2.096 1.00 53.12 C ATOM 500 C ARG A 33 5.951 3.865 -1.474 1.00 74.33 C ATOM 501 O ARG A 33 7.113 3.617 -1.147 1.00 32.24 O ATOM 502 CB ARG A 33 5.071 6.161 -1.012 1.00 21.14 C ATOM 503 CG ARG A 33 5.126 7.626 -1.414 1.00 42.44 C ATOM 504 CD ARG A 33 6.513 8.210 -1.195 1.00 75.10 C ATOM 505 NE ARG A 33 6.880 8.236 0.218 1.00 71.21 N ATOM 506 CZ ARG A 33 7.914 8.919 0.696 1.00 74.14 C ATOM 507 NH1 ARG A 33 8.679 9.630 -0.121 1.00 11.22 N ATOM 508 NH2 ARG A 33 8.184 8.893 1.995 1.00 61.13 N ATOM 0 H ARG A 33 3.632 5.293 -2.857 1.00 15.54 H new ATOM 0 HA ARG A 33 6.476 5.636 -2.553 1.00 53.12 H new ATOM 0 HB2 ARG A 33 4.042 5.899 -0.766 1.00 21.14 H new ATOM 0 HB3 ARG A 33 5.661 6.019 -0.107 1.00 21.14 H new ATOM 0 HG2 ARG A 33 4.848 7.728 -2.463 1.00 42.44 H new ATOM 0 HG3 ARG A 33 4.396 8.191 -0.835 1.00 42.44 H new ATOM 0 HD2 ARG A 33 7.245 7.622 -1.749 1.00 75.10 H new ATOM 0 HD3 ARG A 33 6.547 9.223 -1.597 1.00 75.10 H new ATOM 0 HE ARG A 33 6.311 7.700 0.874 1.00 71.21 H new ATOM 0 HH11 ARG A 33 8.474 9.654 -1.120 1.00 11.22 H new ATOM 0 HH12 ARG A 33 9.472 10.153 0.249 1.00 11.22 H new ATOM 0 HH21 ARG A 33 7.597 8.348 2.627 1.00 61.13 H new ATOM 0 HH22 ARG A 33 8.978 9.418 2.361 1.00 61.13 H new ATOM 519 N LEU A 34 4.956 3.001 -1.313 1.00 15.12 N ATOM 520 CA LEU A 34 5.174 1.682 -0.730 1.00 31.41 C ATOM 521 C LEU A 34 5.977 0.795 -1.676 1.00 21.11 C ATOM 522 O LEU A 34 6.996 0.220 -1.291 1.00 13.11 O ATOM 523 CB LEU A 34 3.835 1.018 -0.405 1.00 33.24 C ATOM 524 CG LEU A 34 3.510 0.854 1.080 1.00 44.44 C ATOM 525 CD1 LEU A 34 3.456 2.209 1.768 1.00 72.25 C ATOM 526 CD2 LEU A 34 2.196 0.110 1.260 1.00 3.25 C ATOM 0 H LEU A 34 3.989 3.190 -1.578 1.00 15.12 H new ATOM 0 HA LEU A 34 5.743 1.809 0.191 1.00 31.41 H new ATOM 0 HB2 LEU A 34 3.040 1.603 -0.868 1.00 33.24 H new ATOM 0 HB3 LEU A 34 3.818 0.033 -0.871 1.00 33.24 H new ATOM 0 HG LEU A 34 4.303 0.266 1.542 1.00 44.44 H new ATOM 0 HD11 LEU A 34 3.223 2.072 2.824 1.00 72.25 H new ATOM 0 HD12 LEU A 34 4.422 2.705 1.671 1.00 72.25 H new ATOM 0 HD13 LEU A 34 2.684 2.823 1.303 1.00 72.25 H new ATOM 0 HD21 LEU A 34 1.981 0.003 2.323 1.00 3.25 H new ATOM 0 HD22 LEU A 34 1.392 0.670 0.782 1.00 3.25 H new ATOM 0 HD23 LEU A 34 2.271 -0.877 0.804 1.00 3.25 H new ATOM 537 N LYS A 35 5.513 0.689 -2.917 1.00 74.12 N ATOM 538 CA LYS A 35 6.190 -0.125 -3.920 1.00 53.43 C ATOM 539 C LYS A 35 7.658 0.270 -4.041 1.00 40.02 C ATOM 540 O LYS A 35 8.539 -0.588 -4.093 1.00 74.12 O ATOM 541 CB LYS A 35 5.498 0.022 -5.277 1.00 12.23 C ATOM 542 CG LYS A 35 5.263 1.466 -5.686 1.00 72.22 C ATOM 543 CD LYS A 35 6.221 1.897 -6.785 1.00 10.13 C ATOM 544 CE LYS A 35 5.746 1.430 -8.152 1.00 33.42 C ATOM 545 NZ LYS A 35 4.981 2.490 -8.865 1.00 13.13 N ATOM 0 H LYS A 35 4.671 1.157 -3.252 1.00 74.12 H new ATOM 0 HA LYS A 35 6.137 -1.166 -3.603 1.00 53.43 H new ATOM 0 HB2 LYS A 35 6.103 -0.469 -6.039 1.00 12.23 H new ATOM 0 HB3 LYS A 35 4.541 -0.499 -5.246 1.00 12.23 H new ATOM 0 HG2 LYS A 35 4.236 1.585 -6.030 1.00 72.22 H new ATOM 0 HG3 LYS A 35 5.386 2.115 -4.819 1.00 72.22 H new ATOM 0 HD2 LYS A 35 6.315 2.983 -6.782 1.00 10.13 H new ATOM 0 HD3 LYS A 35 7.213 1.491 -6.585 1.00 10.13 H new ATOM 0 HE2 LYS A 35 6.606 1.135 -8.754 1.00 33.42 H new ATOM 0 HE3 LYS A 35 5.120 0.546 -8.036 1.00 33.42 H new ATOM 0 HZ1 LYS A 35 4.675 2.133 -9.792 1.00 13.13 H new ATOM 0 HZ2 LYS A 35 4.147 2.754 -8.303 1.00 13.13 H new ATOM 0 HZ3 LYS A 35 5.587 3.325 -8.998 1.00 13.13 H new ATOM 555 N VAL A 36 7.914 1.573 -4.084 1.00 54.14 N ATOM 556 CA VAL A 36 9.277 2.082 -4.196 1.00 12.42 C ATOM 557 C VAL A 36 10.022 1.950 -2.873 1.00 41.34 C ATOM 558 O VAL A 36 11.236 1.743 -2.851 1.00 31.54 O ATOM 559 CB VAL A 36 9.290 3.558 -4.635 1.00 34.15 C ATOM 560 CG1 VAL A 36 10.648 4.186 -4.357 1.00 2.31 C ATOM 561 CG2 VAL A 36 8.930 3.678 -6.108 1.00 22.33 C ATOM 0 H VAL A 36 7.196 2.296 -4.043 1.00 54.14 H new ATOM 0 HA VAL A 36 9.779 1.481 -4.954 1.00 12.42 H new ATOM 0 HB VAL A 36 8.541 4.098 -4.056 1.00 34.15 H new ATOM 0 HG11 VAL A 36 10.638 5.229 -4.674 1.00 2.31 H new ATOM 0 HG12 VAL A 36 10.862 4.133 -3.289 1.00 2.31 H new ATOM 0 HG13 VAL A 36 11.418 3.647 -4.908 1.00 2.31 H new ATOM 0 HG21 VAL A 36 8.944 4.728 -6.402 1.00 22.33 H new ATOM 0 HG22 VAL A 36 9.654 3.124 -6.706 1.00 22.33 H new ATOM 0 HG23 VAL A 36 7.934 3.268 -6.274 1.00 22.33 H new ATOM 571 N GLU A 37 9.289 2.070 -1.771 1.00 11.35 N ATOM 572 CA GLU A 37 9.883 1.964 -0.443 1.00 34.32 C ATOM 573 C GLU A 37 10.795 0.744 -0.351 1.00 35.32 C ATOM 574 O GLU A 37 11.944 0.846 0.080 1.00 33.15 O ATOM 575 CB GLU A 37 8.789 1.879 0.624 1.00 61.41 C ATOM 576 CG GLU A 37 8.792 3.049 1.593 1.00 3.11 C ATOM 577 CD GLU A 37 9.865 2.921 2.657 1.00 72.11 C ATOM 578 OE1 GLU A 37 9.798 1.963 3.455 1.00 40.31 O ATOM 579 OE2 GLU A 37 10.771 3.779 2.692 1.00 73.24 O ATOM 0 H GLU A 37 8.283 2.241 -1.771 1.00 11.35 H new ATOM 0 HA GLU A 37 10.482 2.858 -0.268 1.00 34.32 H new ATOM 0 HB2 GLU A 37 7.817 1.827 0.133 1.00 61.41 H new ATOM 0 HB3 GLU A 37 8.912 0.953 1.185 1.00 61.41 H new ATOM 0 HG2 GLU A 37 8.944 3.975 1.038 1.00 3.11 H new ATOM 0 HG3 GLU A 37 7.816 3.121 2.073 1.00 3.11 H new ATOM 584 N TYR A 38 10.274 -0.408 -0.758 1.00 71.14 N ATOM 585 CA TYR A 38 11.040 -1.648 -0.719 1.00 54.32 C ATOM 586 C TYR A 38 11.577 -2.001 -2.102 1.00 24.14 C ATOM 587 O TYR A 38 12.696 -2.491 -2.240 1.00 64.45 O ATOM 588 CB TYR A 38 10.172 -2.790 -0.188 1.00 62.34 C ATOM 589 CG TYR A 38 10.966 -4.004 0.242 1.00 50.42 C ATOM 590 CD1 TYR A 38 11.919 -3.914 1.250 1.00 40.32 C ATOM 591 CD2 TYR A 38 10.765 -5.240 -0.360 1.00 52.43 C ATOM 592 CE1 TYR A 38 12.646 -5.020 1.646 1.00 35.12 C ATOM 593 CE2 TYR A 38 11.487 -6.351 0.031 1.00 72.22 C ATOM 594 CZ TYR A 38 12.427 -6.235 1.034 1.00 20.23 C ATOM 595 OH TYR A 38 13.149 -7.339 1.425 1.00 62.11 O ATOM 0 H TYR A 38 9.325 -0.509 -1.118 1.00 71.14 H new ATOM 0 HA TYR A 38 11.887 -1.502 -0.048 1.00 54.32 H new ATOM 0 HB2 TYR A 38 9.589 -2.429 0.659 1.00 62.34 H new ATOM 0 HB3 TYR A 38 9.462 -3.085 -0.961 1.00 62.34 H new ATOM 0 HD1 TYR A 38 12.094 -2.963 1.732 1.00 40.32 H new ATOM 0 HD2 TYR A 38 10.032 -5.334 -1.147 1.00 52.43 H new ATOM 0 HE1 TYR A 38 13.382 -4.933 2.431 1.00 35.12 H new ATOM 0 HE2 TYR A 38 11.317 -7.305 -0.446 1.00 72.22 H new ATOM 0 HH TYR A 38 12.835 -7.641 2.303 1.00 62.11 H new ATOM 604 N GLY A 39 10.766 -1.747 -3.126 1.00 42.14 N ATOM 605 CA GLY A 39 11.175 -2.044 -4.486 1.00 63.44 C ATOM 606 C GLY A 39 10.242 -3.021 -5.173 1.00 3.23 C ATOM 607 O GLY A 39 9.157 -3.312 -4.668 1.00 31.14 O ATOM 0 H GLY A 39 9.834 -1.341 -3.037 1.00 42.14 H new ATOM 0 HA2 GLY A 39 11.214 -1.119 -5.061 1.00 63.44 H new ATOM 0 HA3 GLY A 39 12.184 -2.456 -4.477 1.00 63.44 H new ATOM 611 N SER A 40 10.662 -3.528 -6.327 1.00 72.43 N ATOM 612 CA SER A 40 9.853 -4.473 -7.087 1.00 2.30 C ATOM 613 C SER A 40 9.454 -5.665 -6.222 1.00 42.35 C ATOM 614 O SER A 40 8.391 -6.255 -6.412 1.00 62.24 O ATOM 615 CB SER A 40 10.619 -4.957 -8.319 1.00 64.54 C ATOM 616 OG SER A 40 11.575 -5.944 -7.971 1.00 63.12 O ATOM 0 H SER A 40 11.559 -3.300 -6.757 1.00 72.43 H new ATOM 0 HA SER A 40 8.947 -3.960 -7.409 1.00 2.30 H new ATOM 0 HB2 SER A 40 9.920 -5.365 -9.049 1.00 64.54 H new ATOM 0 HB3 SER A 40 11.119 -4.113 -8.794 1.00 64.54 H new ATOM 0 HG SER A 40 12.050 -6.238 -8.776 1.00 63.12 H new ATOM 621 N GLU A 41 10.315 -6.011 -5.269 1.00 24.52 N ATOM 622 CA GLU A 41 10.054 -7.133 -4.375 1.00 2.25 C ATOM 623 C GLU A 41 8.668 -7.015 -3.746 1.00 54.24 C ATOM 624 O GLU A 41 7.876 -7.956 -3.779 1.00 71.42 O ATOM 625 CB GLU A 41 11.120 -7.200 -3.279 1.00 22.20 C ATOM 626 CG GLU A 41 12.086 -8.361 -3.441 1.00 32.44 C ATOM 627 CD GLU A 41 11.380 -9.700 -3.533 1.00 34.42 C ATOM 628 OE1 GLU A 41 10.386 -9.897 -2.802 1.00 61.40 O ATOM 629 OE2 GLU A 41 11.821 -10.550 -4.334 1.00 1.12 O ATOM 0 H GLU A 41 11.198 -5.531 -5.097 1.00 24.52 H new ATOM 0 HA GLU A 41 10.091 -8.050 -4.963 1.00 2.25 H new ATOM 0 HB2 GLU A 41 11.684 -6.267 -3.274 1.00 22.20 H new ATOM 0 HB3 GLU A 41 10.628 -7.280 -2.310 1.00 22.20 H new ATOM 0 HG2 GLU A 41 12.685 -8.208 -4.339 1.00 32.44 H new ATOM 0 HG3 GLU A 41 12.775 -8.375 -2.597 1.00 32.44 H new ATOM 634 N PHE A 42 8.384 -5.851 -3.170 1.00 10.02 N ATOM 635 CA PHE A 42 7.096 -5.609 -2.531 1.00 10.11 C ATOM 636 C PHE A 42 6.007 -5.376 -3.574 1.00 4.40 C ATOM 637 O PHE A 42 4.903 -5.913 -3.466 1.00 42.33 O ATOM 638 CB PHE A 42 7.187 -4.402 -1.594 1.00 4.11 C ATOM 639 CG PHE A 42 5.916 -4.132 -0.839 1.00 5.22 C ATOM 640 CD1 PHE A 42 5.128 -5.179 -0.388 1.00 50.40 C ATOM 641 CD2 PHE A 42 5.510 -2.833 -0.582 1.00 12.34 C ATOM 642 CE1 PHE A 42 3.959 -4.934 0.307 1.00 45.52 C ATOM 643 CE2 PHE A 42 4.342 -2.582 0.113 1.00 42.23 C ATOM 644 CZ PHE A 42 3.565 -3.634 0.558 1.00 20.52 C ATOM 0 H PHE A 42 9.028 -5.061 -3.133 1.00 10.02 H new ATOM 0 HA PHE A 42 6.835 -6.493 -1.950 1.00 10.11 H new ATOM 0 HB2 PHE A 42 7.996 -4.565 -0.882 1.00 4.11 H new ATOM 0 HB3 PHE A 42 7.449 -3.519 -2.177 1.00 4.11 H new ATOM 0 HD1 PHE A 42 5.431 -6.197 -0.582 1.00 50.40 H new ATOM 0 HD2 PHE A 42 6.113 -2.007 -0.929 1.00 12.34 H new ATOM 0 HE1 PHE A 42 3.354 -5.758 0.654 1.00 45.52 H new ATOM 0 HE2 PHE A 42 4.037 -1.564 0.308 1.00 42.23 H new ATOM 0 HZ PHE A 42 2.652 -3.441 1.101 1.00 20.52 H new ATOM 653 N THR A 43 6.324 -4.572 -4.583 1.00 1.32 N ATOM 654 CA THR A 43 5.373 -4.266 -5.644 1.00 24.23 C ATOM 655 C THR A 43 4.791 -5.541 -6.245 1.00 61.33 C ATOM 656 O THR A 43 3.580 -5.654 -6.436 1.00 21.42 O ATOM 657 CB THR A 43 6.028 -3.437 -6.765 1.00 65.44 C ATOM 658 OG1 THR A 43 7.187 -2.763 -6.262 1.00 13.42 O ATOM 659 CG2 THR A 43 5.049 -2.421 -7.330 1.00 34.05 C ATOM 0 H THR A 43 7.233 -4.121 -4.688 1.00 1.32 H new ATOM 0 HA THR A 43 4.572 -3.682 -5.191 1.00 24.23 H new ATOM 0 HB THR A 43 6.322 -4.117 -7.565 1.00 65.44 H new ATOM 0 HG1 THR A 43 7.599 -2.239 -6.981 1.00 13.42 H new ATOM 0 HG21 THR A 43 5.535 -1.848 -8.120 1.00 34.05 H new ATOM 0 HG22 THR A 43 4.182 -2.940 -7.739 1.00 34.05 H new ATOM 0 HG23 THR A 43 4.727 -1.746 -6.537 1.00 34.05 H new ATOM 667 N LYS A 44 5.661 -6.501 -6.541 1.00 1.34 N ATOM 668 CA LYS A 44 5.234 -7.770 -7.119 1.00 13.21 C ATOM 669 C LYS A 44 4.571 -8.651 -6.065 1.00 33.14 C ATOM 670 O LYS A 44 3.729 -9.489 -6.386 1.00 4.35 O ATOM 671 CB LYS A 44 6.429 -8.503 -7.732 1.00 75.21 C ATOM 672 CG LYS A 44 7.072 -7.757 -8.890 1.00 12.25 C ATOM 673 CD LYS A 44 6.159 -7.720 -10.104 1.00 1.22 C ATOM 674 CE LYS A 44 6.821 -7.015 -11.278 1.00 21.42 C ATOM 675 NZ LYS A 44 7.783 -7.903 -11.987 1.00 50.04 N ATOM 0 H LYS A 44 6.667 -6.424 -6.390 1.00 1.34 H new ATOM 0 HA LYS A 44 4.506 -7.557 -7.902 1.00 13.21 H new ATOM 0 HB2 LYS A 44 7.178 -8.670 -6.958 1.00 75.21 H new ATOM 0 HB3 LYS A 44 6.104 -9.484 -8.078 1.00 75.21 H new ATOM 0 HG2 LYS A 44 7.310 -6.739 -8.581 1.00 12.25 H new ATOM 0 HG3 LYS A 44 8.013 -8.238 -9.156 1.00 12.25 H new ATOM 0 HD2 LYS A 44 5.893 -8.737 -10.392 1.00 1.22 H new ATOM 0 HD3 LYS A 44 5.231 -7.209 -9.847 1.00 1.22 H new ATOM 0 HE2 LYS A 44 6.056 -6.677 -11.977 1.00 21.42 H new ATOM 0 HE3 LYS A 44 7.342 -6.126 -10.921 1.00 21.42 H new ATOM 0 HZ1 LYS A 44 8.213 -7.386 -12.780 1.00 50.04 H new ATOM 0 HZ2 LYS A 44 8.527 -8.206 -11.327 1.00 50.04 H new ATOM 0 HZ3 LYS A 44 7.281 -8.739 -12.350 1.00 50.04 H new ATOM 685 N GLN A 45 4.954 -8.454 -4.809 1.00 61.14 N ATOM 686 CA GLN A 45 4.395 -9.232 -3.709 1.00 51.32 C ATOM 687 C GLN A 45 2.961 -8.805 -3.414 1.00 33.54 C ATOM 688 O GLN A 45 2.128 -9.622 -3.024 1.00 63.10 O ATOM 689 CB GLN A 45 5.255 -9.071 -2.454 1.00 42.32 C ATOM 690 CG GLN A 45 4.893 -10.039 -1.340 1.00 2.34 C ATOM 691 CD GLN A 45 3.969 -9.423 -0.308 1.00 73.13 C ATOM 692 OE1 GLN A 45 3.944 -8.204 -0.129 1.00 25.35 O ATOM 693 NE2 GLN A 45 3.204 -10.262 0.379 1.00 3.54 N ATOM 0 H GLN A 45 5.649 -7.763 -4.527 1.00 61.14 H new ATOM 0 HA GLN A 45 4.389 -10.281 -4.005 1.00 51.32 H new ATOM 0 HB2 GLN A 45 6.302 -9.213 -2.721 1.00 42.32 H new ATOM 0 HB3 GLN A 45 5.155 -8.051 -2.084 1.00 42.32 H new ATOM 0 HG2 GLN A 45 4.415 -10.919 -1.770 1.00 2.34 H new ATOM 0 HG3 GLN A 45 5.805 -10.379 -0.849 1.00 2.34 H new ATOM 0 HE21 GLN A 45 3.257 -11.265 0.198 1.00 3.54 H new ATOM 0 HE22 GLN A 45 2.563 -9.904 1.088 1.00 3.54 H new ATOM 700 N MET A 46 2.680 -7.519 -3.605 1.00 44.05 N ATOM 701 CA MET A 46 1.346 -6.985 -3.361 1.00 41.22 C ATOM 702 C MET A 46 0.657 -6.622 -4.672 1.00 32.31 C ATOM 703 O MET A 46 -0.433 -6.051 -4.675 1.00 43.50 O ATOM 704 CB MET A 46 1.424 -5.755 -2.455 1.00 43.14 C ATOM 705 CG MET A 46 2.166 -4.586 -3.080 1.00 30.32 C ATOM 706 SD MET A 46 1.393 -2.998 -2.718 1.00 14.34 S ATOM 707 CE MET A 46 -0.156 -3.167 -3.601 1.00 35.24 C ATOM 0 H MET A 46 3.358 -6.829 -3.928 1.00 44.05 H new ATOM 0 HA MET A 46 0.758 -7.757 -2.864 1.00 41.22 H new ATOM 0 HB2 MET A 46 0.413 -5.438 -2.199 1.00 43.14 H new ATOM 0 HB3 MET A 46 1.917 -6.031 -1.523 1.00 43.14 H new ATOM 0 HG2 MET A 46 3.193 -4.577 -2.716 1.00 30.32 H new ATOM 0 HG3 MET A 46 2.212 -4.725 -4.160 1.00 30.32 H new ATOM 0 HE1 MET A 46 -0.792 -2.308 -3.387 1.00 35.24 H new ATOM 0 HE2 MET A 46 0.039 -3.216 -4.672 1.00 35.24 H new ATOM 0 HE3 MET A 46 -0.659 -4.080 -3.282 1.00 35.24 H new ATOM 715 N TYR A 47 1.301 -6.955 -5.786 1.00 43.33 N ATOM 716 CA TYR A 47 0.752 -6.661 -7.104 1.00 5.42 C ATOM 717 C TYR A 47 1.647 -7.221 -8.204 1.00 74.33 C ATOM 718 O TYR A 47 2.588 -6.562 -8.649 1.00 20.41 O ATOM 719 CB TYR A 47 0.584 -5.152 -7.285 1.00 43.41 C ATOM 720 CG TYR A 47 -0.763 -4.755 -7.846 1.00 53.42 C ATOM 721 CD1 TYR A 47 -1.939 -5.238 -7.287 1.00 1.21 C ATOM 722 CD2 TYR A 47 -0.858 -3.896 -8.932 1.00 72.50 C ATOM 723 CE1 TYR A 47 -3.172 -4.879 -7.796 1.00 0.04 C ATOM 724 CE2 TYR A 47 -2.086 -3.529 -9.448 1.00 24.04 C ATOM 725 CZ TYR A 47 -3.240 -4.024 -8.877 1.00 33.04 C ATOM 726 OH TYR A 47 -4.466 -3.662 -9.386 1.00 21.14 O ATOM 0 H TYR A 47 2.204 -7.429 -5.802 1.00 43.33 H new ATOM 0 HA TYR A 47 -0.225 -7.139 -7.178 1.00 5.42 H new ATOM 0 HB2 TYR A 47 0.726 -4.661 -6.322 1.00 43.41 H new ATOM 0 HB3 TYR A 47 1.367 -4.785 -7.949 1.00 43.41 H new ATOM 0 HD1 TYR A 47 -1.889 -5.906 -6.440 1.00 1.21 H new ATOM 0 HD2 TYR A 47 0.044 -3.508 -9.382 1.00 72.50 H new ATOM 0 HE1 TYR A 47 -4.077 -5.265 -7.351 1.00 0.04 H new ATOM 0 HE2 TYR A 47 -2.142 -2.859 -10.293 1.00 24.04 H new ATOM 0 HH TYR A 47 -4.713 -4.274 -10.111 1.00 21.14 H new ATOM 735 N ASP A 48 1.349 -8.440 -8.639 1.00 32.11 N ATOM 736 CA ASP A 48 2.125 -9.089 -9.689 1.00 12.30 C ATOM 737 C ASP A 48 1.295 -9.247 -10.959 1.00 70.20 C ATOM 738 O ASP A 48 0.584 -10.236 -11.130 1.00 61.04 O ATOM 739 CB ASP A 48 2.620 -10.456 -9.215 1.00 62.35 C ATOM 740 CG ASP A 48 3.140 -11.311 -10.355 1.00 52.13 C ATOM 741 OD1 ASP A 48 3.659 -10.739 -11.337 1.00 61.31 O ATOM 742 OD2 ASP A 48 3.029 -12.551 -10.265 1.00 74.13 O ATOM 0 H ASP A 48 0.575 -8.999 -8.280 1.00 32.11 H new ATOM 0 HA ASP A 48 2.985 -8.458 -9.915 1.00 12.30 H new ATOM 0 HB2 ASP A 48 3.411 -10.317 -8.479 1.00 62.35 H new ATOM 0 HB3 ASP A 48 1.806 -10.980 -8.714 1.00 62.35 H new ATOM 746 N GLY A 49 1.390 -8.263 -11.849 1.00 63.15 N ATOM 747 CA GLY A 49 0.643 -8.312 -13.091 1.00 61.21 C ATOM 748 C GLY A 49 -0.685 -7.586 -12.998 1.00 21.02 C ATOM 749 O GLY A 49 -1.697 -8.062 -13.510 1.00 61.54 O ATOM 0 H GLY A 49 1.971 -7.433 -11.731 1.00 63.15 H new ATOM 0 HA2 GLY A 49 1.240 -7.870 -13.888 1.00 61.21 H new ATOM 0 HA3 GLY A 49 0.467 -9.352 -13.364 1.00 61.21 H new ATOM 753 N ASN A 50 -0.681 -6.432 -12.339 1.00 35.02 N ATOM 754 CA ASN A 50 -1.895 -5.641 -12.178 1.00 33.14 C ATOM 755 C ASN A 50 -2.905 -6.366 -11.294 1.00 54.43 C ATOM 756 O ASN A 50 -4.064 -5.967 -11.201 1.00 23.22 O ATOM 757 CB ASN A 50 -2.520 -5.342 -13.543 1.00 73.11 C ATOM 758 CG ASN A 50 -1.476 -5.142 -14.624 1.00 71.42 C ATOM 759 OD1 ASN A 50 -1.382 -5.930 -15.566 1.00 42.41 O ATOM 760 ND2 ASN A 50 -0.684 -4.083 -14.495 1.00 13.43 N ATOM 0 H ASN A 50 0.149 -6.024 -11.908 1.00 35.02 H new ATOM 0 HA ASN A 50 -1.624 -4.702 -11.695 1.00 33.14 H new ATOM 0 HB2 ASN A 50 -3.179 -6.163 -13.826 1.00 73.11 H new ATOM 0 HB3 ASN A 50 -3.138 -4.447 -13.469 1.00 73.11 H new ATOM 0 HD21 ASN A 50 0.037 -3.897 -15.193 1.00 13.43 H new ATOM 0 HD22 ASN A 50 -0.797 -3.456 -13.698 1.00 13.43 H new ATOM 766 N ASN A 51 -2.453 -7.434 -10.643 1.00 54.54 N ATOM 767 CA ASN A 51 -3.315 -8.216 -9.765 1.00 13.45 C ATOM 768 C ASN A 51 -2.494 -8.959 -8.716 1.00 52.33 C ATOM 769 O ASN A 51 -1.283 -9.129 -8.866 1.00 5.42 O ATOM 770 CB ASN A 51 -4.142 -9.211 -10.582 1.00 50.32 C ATOM 771 CG ASN A 51 -5.484 -8.642 -11.000 1.00 52.12 C ATOM 772 OD1 ASN A 51 -5.734 -8.422 -12.185 1.00 11.33 O ATOM 773 ND2 ASN A 51 -6.354 -8.401 -10.026 1.00 22.21 N ATOM 0 H ASN A 51 -1.495 -7.777 -10.708 1.00 54.54 H new ATOM 0 HA ASN A 51 -3.988 -7.529 -9.252 1.00 13.45 H new ATOM 0 HB2 ASN A 51 -3.581 -9.502 -11.470 1.00 50.32 H new ATOM 0 HB3 ASN A 51 -4.301 -10.115 -9.995 1.00 50.32 H new ATOM 0 HD21 ASN A 51 -7.273 -8.018 -10.247 1.00 22.21 H new ATOM 0 HD22 ASN A 51 -6.103 -8.599 -9.057 1.00 22.21 H new ATOM 779 N LEU A 52 -3.160 -9.399 -7.655 1.00 45.44 N ATOM 780 CA LEU A 52 -2.492 -10.126 -6.580 1.00 73.12 C ATOM 781 C LEU A 52 -1.880 -11.423 -7.098 1.00 54.25 C ATOM 782 O LEU A 52 -2.421 -12.060 -8.001 1.00 25.40 O ATOM 783 CB LEU A 52 -3.480 -10.430 -5.453 1.00 11.40 C ATOM 784 CG LEU A 52 -4.225 -9.229 -4.869 1.00 72.21 C ATOM 785 CD1 LEU A 52 -3.378 -7.970 -4.982 1.00 42.21 C ATOM 786 CD2 LEU A 52 -5.562 -9.038 -5.569 1.00 21.10 C ATOM 0 H LEU A 52 -4.162 -9.266 -7.515 1.00 45.44 H new ATOM 0 HA LEU A 52 -1.690 -9.497 -6.193 1.00 73.12 H new ATOM 0 HB2 LEU A 52 -4.216 -11.143 -5.825 1.00 11.40 H new ATOM 0 HB3 LEU A 52 -2.939 -10.923 -4.646 1.00 11.40 H new ATOM 0 HG LEU A 52 -4.415 -9.422 -3.813 1.00 72.21 H new ATOM 0 HD11 LEU A 52 -3.924 -7.125 -4.562 1.00 42.21 H new ATOM 0 HD12 LEU A 52 -2.446 -8.108 -4.435 1.00 42.21 H new ATOM 0 HD13 LEU A 52 -3.157 -7.773 -6.031 1.00 42.21 H new ATOM 0 HD21 LEU A 52 -6.078 -8.179 -5.140 1.00 21.10 H new ATOM 0 HD22 LEU A 52 -5.395 -8.867 -6.632 1.00 21.10 H new ATOM 0 HD23 LEU A 52 -6.173 -9.931 -5.437 1.00 21.10 H new ATOM 797 N PHE A 53 -0.747 -11.810 -6.519 1.00 75.20 N ATOM 798 CA PHE A 53 -0.061 -13.031 -6.921 1.00 73.31 C ATOM 799 C PHE A 53 -0.736 -14.259 -6.317 1.00 52.44 C ATOM 800 O PHE A 53 -1.290 -15.094 -7.032 1.00 72.24 O ATOM 801 CB PHE A 53 1.407 -12.981 -6.494 1.00 61.51 C ATOM 802 CG PHE A 53 2.131 -14.284 -6.680 1.00 43.31 C ATOM 803 CD1 PHE A 53 2.159 -14.906 -7.917 1.00 62.12 C ATOM 804 CD2 PHE A 53 2.782 -14.887 -5.616 1.00 72.13 C ATOM 805 CE1 PHE A 53 2.824 -16.106 -8.091 1.00 14.13 C ATOM 806 CE2 PHE A 53 3.449 -16.086 -5.783 1.00 35.24 C ATOM 807 CZ PHE A 53 3.469 -16.697 -7.022 1.00 21.11 C ATOM 0 H PHE A 53 -0.285 -11.294 -5.770 1.00 75.20 H new ATOM 0 HA PHE A 53 -0.114 -13.106 -8.007 1.00 73.31 H new ATOM 0 HB2 PHE A 53 1.917 -12.206 -7.066 1.00 61.51 H new ATOM 0 HB3 PHE A 53 1.462 -12.691 -5.445 1.00 61.51 H new ATOM 0 HD1 PHE A 53 1.656 -14.448 -8.756 1.00 62.12 H new ATOM 0 HD2 PHE A 53 2.768 -14.415 -4.645 1.00 72.13 H new ATOM 0 HE1 PHE A 53 2.839 -16.580 -9.061 1.00 14.13 H new ATOM 0 HE2 PHE A 53 3.954 -16.545 -4.946 1.00 35.24 H new ATOM 0 HZ PHE A 53 3.988 -17.635 -7.154 1.00 21.11 H new ATOM 816 N LYS A 54 -0.685 -14.362 -4.993 1.00 3.31 N ATOM 817 CA LYS A 54 -1.292 -15.486 -4.289 1.00 12.00 C ATOM 818 C LYS A 54 -2.757 -15.204 -3.973 1.00 15.11 C ATOM 819 O LYS A 54 -3.642 -15.968 -4.354 1.00 51.30 O ATOM 820 CB LYS A 54 -0.527 -15.777 -2.995 1.00 31.11 C ATOM 821 CG LYS A 54 -1.087 -16.949 -2.208 1.00 13.22 C ATOM 822 CD LYS A 54 -0.915 -18.258 -2.960 1.00 43.13 C ATOM 823 CE LYS A 54 -2.238 -18.759 -3.518 1.00 42.31 C ATOM 824 NZ LYS A 54 -2.126 -19.143 -4.952 1.00 44.21 N ATOM 0 H LYS A 54 -0.230 -13.681 -4.386 1.00 3.31 H new ATOM 0 HA LYS A 54 -1.241 -16.359 -4.939 1.00 12.00 H new ATOM 0 HB2 LYS A 54 0.517 -15.978 -3.237 1.00 31.11 H new ATOM 0 HB3 LYS A 54 -0.542 -14.887 -2.366 1.00 31.11 H new ATOM 0 HG2 LYS A 54 -0.584 -17.014 -1.243 1.00 13.22 H new ATOM 0 HG3 LYS A 54 -2.145 -16.781 -2.006 1.00 13.22 H new ATOM 0 HD2 LYS A 54 -0.204 -18.120 -3.775 1.00 43.13 H new ATOM 0 HD3 LYS A 54 -0.493 -19.009 -2.293 1.00 43.13 H new ATOM 0 HE2 LYS A 54 -2.575 -19.618 -2.937 1.00 42.31 H new ATOM 0 HE3 LYS A 54 -2.996 -17.983 -3.408 1.00 42.31 H new ATOM 0 HZ1 LYS A 54 -2.986 -19.649 -5.244 1.00 44.21 H new ATOM 0 HZ2 LYS A 54 -2.013 -18.288 -5.533 1.00 44.21 H new ATOM 0 HZ3 LYS A 54 -1.300 -19.761 -5.082 1.00 44.21 H new ATOM 834 N ASN A 55 -3.006 -14.099 -3.276 1.00 73.54 N ATOM 835 CA ASN A 55 -4.364 -13.715 -2.910 1.00 21.25 C ATOM 836 C ASN A 55 -4.354 -12.680 -1.789 1.00 22.31 C ATOM 837 O ASN A 55 -5.072 -12.814 -0.799 1.00 4.51 O ATOM 838 CB ASN A 55 -5.164 -14.945 -2.475 1.00 30.35 C ATOM 839 CG ASN A 55 -6.174 -15.377 -3.521 1.00 23.12 C ATOM 840 OD1 ASN A 55 -6.740 -14.547 -4.233 1.00 33.21 O ATOM 841 ND2 ASN A 55 -6.405 -16.681 -3.618 1.00 15.02 N ATOM 0 H ASN A 55 -2.284 -13.454 -2.954 1.00 73.54 H new ATOM 0 HA ASN A 55 -4.838 -13.272 -3.786 1.00 21.25 H new ATOM 0 HB2 ASN A 55 -4.479 -15.768 -2.274 1.00 30.35 H new ATOM 0 HB3 ASN A 55 -5.683 -14.726 -1.542 1.00 30.35 H new ATOM 0 HD21 ASN A 55 -7.075 -17.031 -4.303 1.00 15.02 H new ATOM 0 HD22 ASN A 55 -5.913 -17.333 -3.007 1.00 15.02 H new ATOM 847 N VAL A 56 -3.535 -11.646 -1.954 1.00 32.34 N ATOM 848 CA VAL A 56 -3.433 -10.586 -0.959 1.00 61.23 C ATOM 849 C VAL A 56 -4.735 -9.801 -0.855 1.00 40.34 C ATOM 850 O VAL A 56 -5.383 -9.517 -1.863 1.00 41.12 O ATOM 851 CB VAL A 56 -2.286 -9.614 -1.291 1.00 75.24 C ATOM 852 CG1 VAL A 56 -1.990 -8.711 -0.103 1.00 13.51 C ATOM 853 CG2 VAL A 56 -1.040 -10.381 -1.709 1.00 23.31 C ATOM 0 H VAL A 56 -2.933 -11.520 -2.768 1.00 32.34 H new ATOM 0 HA VAL A 56 -3.226 -11.068 -0.004 1.00 61.23 H new ATOM 0 HB VAL A 56 -2.597 -8.987 -2.127 1.00 75.24 H new ATOM 0 HG11 VAL A 56 -1.177 -8.031 -0.357 1.00 13.51 H new ATOM 0 HG12 VAL A 56 -2.881 -8.134 0.146 1.00 13.51 H new ATOM 0 HG13 VAL A 56 -1.700 -9.320 0.753 1.00 13.51 H new ATOM 0 HG21 VAL A 56 -0.240 -9.678 -1.940 1.00 23.31 H new ATOM 0 HG22 VAL A 56 -0.725 -11.035 -0.895 1.00 23.31 H new ATOM 0 HG23 VAL A 56 -1.261 -10.981 -2.592 1.00 23.31 H new ATOM 863 N ILE A 57 -5.114 -9.453 0.370 1.00 73.13 N ATOM 864 CA ILE A 57 -6.338 -8.699 0.606 1.00 4.04 C ATOM 865 C ILE A 57 -6.069 -7.461 1.454 1.00 50.35 C ATOM 866 O ILE A 57 -5.832 -7.562 2.659 1.00 51.04 O ATOM 867 CB ILE A 57 -7.406 -9.563 1.303 1.00 34.33 C ATOM 868 CG1 ILE A 57 -7.723 -10.800 0.460 1.00 24.10 C ATOM 869 CG2 ILE A 57 -8.667 -8.748 1.552 1.00 51.43 C ATOM 870 CD1 ILE A 57 -8.107 -12.010 1.283 1.00 60.15 C ATOM 0 H ILE A 57 -4.590 -9.682 1.215 1.00 73.13 H new ATOM 0 HA ILE A 57 -6.711 -8.392 -0.371 1.00 4.04 H new ATOM 0 HB ILE A 57 -7.014 -9.893 2.265 1.00 34.33 H new ATOM 0 HG12 ILE A 57 -8.537 -10.564 -0.225 1.00 24.10 H new ATOM 0 HG13 ILE A 57 -6.854 -11.046 -0.150 1.00 24.10 H new ATOM 0 HG21 ILE A 57 -9.412 -9.372 2.045 1.00 51.43 H new ATOM 0 HG22 ILE A 57 -8.429 -7.895 2.188 1.00 51.43 H new ATOM 0 HG23 ILE A 57 -9.064 -8.392 0.601 1.00 51.43 H new ATOM 0 HD11 ILE A 57 -8.318 -12.849 0.620 1.00 60.15 H new ATOM 0 HD12 ILE A 57 -7.286 -12.272 1.950 1.00 60.15 H new ATOM 0 HD13 ILE A 57 -8.995 -11.782 1.873 1.00 60.15 H new ATOM 881 N ILE A 58 -6.106 -6.295 0.820 1.00 62.22 N ATOM 882 CA ILE A 58 -5.869 -5.037 1.517 1.00 62.53 C ATOM 883 C ILE A 58 -7.044 -4.082 1.345 1.00 71.20 C ATOM 884 O ILE A 58 -7.570 -3.919 0.243 1.00 41.14 O ATOM 885 CB ILE A 58 -4.585 -4.350 1.016 1.00 33.54 C ATOM 886 CG1 ILE A 58 -4.609 -2.860 1.362 1.00 11.31 C ATOM 887 CG2 ILE A 58 -4.430 -4.547 -0.485 1.00 64.45 C ATOM 888 CD1 ILE A 58 -3.268 -2.180 1.203 1.00 15.32 C ATOM 0 H ILE A 58 -6.298 -6.195 -0.177 1.00 62.22 H new ATOM 0 HA ILE A 58 -5.754 -5.279 2.574 1.00 62.53 H new ATOM 0 HB ILE A 58 -3.729 -4.806 1.514 1.00 33.54 H new ATOM 0 HG12 ILE A 58 -5.339 -2.359 0.725 1.00 11.31 H new ATOM 0 HG13 ILE A 58 -4.948 -2.740 2.391 1.00 11.31 H new ATOM 0 HG21 ILE A 58 -3.518 -4.056 -0.824 1.00 64.45 H new ATOM 0 HG22 ILE A 58 -4.373 -5.612 -0.708 1.00 64.45 H new ATOM 0 HG23 ILE A 58 -5.288 -4.114 -0.999 1.00 64.45 H new ATOM 0 HD11 ILE A 58 -3.361 -1.126 1.466 1.00 15.32 H new ATOM 0 HD12 ILE A 58 -2.539 -2.655 1.860 1.00 15.32 H new ATOM 0 HD13 ILE A 58 -2.936 -2.268 0.169 1.00 15.32 H new ATOM 899 N LEU A 59 -7.451 -3.451 2.440 1.00 1.21 N ATOM 900 CA LEU A 59 -8.565 -2.509 2.411 1.00 72.22 C ATOM 901 C LEU A 59 -8.143 -1.149 2.960 1.00 60.12 C ATOM 902 O LEU A 59 -7.165 -1.043 3.700 1.00 42.15 O ATOM 903 CB LEU A 59 -9.742 -3.055 3.220 1.00 11.52 C ATOM 904 CG LEU A 59 -10.547 -4.175 2.561 1.00 45.42 C ATOM 905 CD1 LEU A 59 -11.282 -4.993 3.612 1.00 71.12 C ATOM 906 CD2 LEU A 59 -11.527 -3.603 1.548 1.00 63.41 C ATOM 0 H LEU A 59 -7.027 -3.574 3.359 1.00 1.21 H new ATOM 0 HA LEU A 59 -8.874 -2.382 1.373 1.00 72.22 H new ATOM 0 HB2 LEU A 59 -9.363 -3.420 4.174 1.00 11.52 H new ATOM 0 HB3 LEU A 59 -10.419 -2.230 3.441 1.00 11.52 H new ATOM 0 HG LEU A 59 -9.855 -4.833 2.036 1.00 45.42 H new ATOM 0 HD11 LEU A 59 -11.850 -5.786 3.125 1.00 71.12 H new ATOM 0 HD12 LEU A 59 -10.561 -5.434 4.300 1.00 71.12 H new ATOM 0 HD13 LEU A 59 -11.963 -4.347 4.165 1.00 71.12 H new ATOM 0 HD21 LEU A 59 -12.091 -4.415 1.089 1.00 63.41 H new ATOM 0 HD22 LEU A 59 -12.214 -2.922 2.051 1.00 63.41 H new ATOM 0 HD23 LEU A 59 -10.979 -3.061 0.777 1.00 63.41 H new ATOM 917 N VAL A 60 -8.888 -0.111 2.593 1.00 44.10 N ATOM 918 CA VAL A 60 -8.593 1.241 3.050 1.00 50.41 C ATOM 919 C VAL A 60 -9.802 1.864 3.740 1.00 65.11 C ATOM 920 O VAL A 60 -10.924 1.778 3.243 1.00 30.23 O ATOM 921 CB VAL A 60 -8.158 2.147 1.883 1.00 51.34 C ATOM 922 CG1 VAL A 60 -9.326 2.403 0.943 1.00 61.10 C ATOM 923 CG2 VAL A 60 -7.589 3.456 2.408 1.00 33.21 C ATOM 0 H VAL A 60 -9.700 -0.181 1.980 1.00 44.10 H new ATOM 0 HA VAL A 60 -7.772 1.161 3.763 1.00 50.41 H new ATOM 0 HB VAL A 60 -7.375 1.637 1.322 1.00 51.34 H new ATOM 0 HG11 VAL A 60 -9.000 3.045 0.124 1.00 61.10 H new ATOM 0 HG12 VAL A 60 -9.684 1.455 0.541 1.00 61.10 H new ATOM 0 HG13 VAL A 60 -10.132 2.893 1.489 1.00 61.10 H new ATOM 0 HG21 VAL A 60 -7.287 4.084 1.570 1.00 33.21 H new ATOM 0 HG22 VAL A 60 -8.348 3.974 2.994 1.00 33.21 H new ATOM 0 HG23 VAL A 60 -6.723 3.250 3.037 1.00 33.21 H new ATOM 933 N ASN A 61 -9.564 2.491 4.887 1.00 33.34 N ATOM 934 CA ASN A 61 -10.635 3.129 5.645 1.00 53.13 C ATOM 935 C ASN A 61 -11.794 2.163 5.867 1.00 14.40 C ATOM 936 O ASN A 61 -12.950 2.575 5.959 1.00 51.42 O ATOM 937 CB ASN A 61 -11.131 4.379 4.914 1.00 74.11 C ATOM 938 CG ASN A 61 -11.997 5.258 5.795 1.00 42.13 C ATOM 939 OD1 ASN A 61 -11.871 5.245 7.020 1.00 4.30 O ATOM 940 ND2 ASN A 61 -12.883 6.028 5.174 1.00 25.31 N ATOM 0 H ASN A 61 -8.640 2.571 5.312 1.00 33.34 H new ATOM 0 HA ASN A 61 -10.236 3.419 6.617 1.00 53.13 H new ATOM 0 HB2 ASN A 61 -10.275 4.954 4.561 1.00 74.11 H new ATOM 0 HB3 ASN A 61 -11.699 4.080 4.033 1.00 74.11 H new ATOM 0 HD21 ASN A 61 -13.494 6.641 5.714 1.00 25.31 H new ATOM 0 HD22 ASN A 61 -12.953 6.007 4.157 1.00 25.31 H new ATOM 946 N GLY A 62 -11.475 0.875 5.954 1.00 12.43 N ATOM 947 CA GLY A 62 -12.501 -0.130 6.166 1.00 42.11 C ATOM 948 C GLY A 62 -13.398 -0.307 4.957 1.00 13.02 C ATOM 949 O GLY A 62 -14.613 -0.447 5.092 1.00 34.11 O ATOM 0 H GLY A 62 -10.525 0.510 5.882 1.00 12.43 H new ATOM 0 HA2 GLY A 62 -12.028 -1.082 6.406 1.00 42.11 H new ATOM 0 HA3 GLY A 62 -13.108 0.151 7.027 1.00 42.11 H new ATOM 953 N ASN A 63 -12.798 -0.298 3.770 1.00 44.43 N ATOM 954 CA ASN A 63 -13.552 -0.457 2.531 1.00 54.41 C ATOM 955 C ASN A 63 -12.613 -0.565 1.334 1.00 43.41 C ATOM 956 O ASN A 63 -11.514 -0.015 1.343 1.00 74.35 O ATOM 957 CB ASN A 63 -14.509 0.721 2.339 1.00 30.12 C ATOM 958 CG ASN A 63 -15.931 0.384 2.744 1.00 45.23 C ATOM 959 OD1 ASN A 63 -16.501 -0.608 2.286 1.00 35.32 O ATOM 960 ND2 ASN A 63 -16.511 1.207 3.609 1.00 15.44 N ATOM 0 H ASN A 63 -11.793 -0.182 3.640 1.00 44.43 H new ATOM 0 HA ASN A 63 -14.130 -1.379 2.601 1.00 54.41 H new ATOM 0 HB2 ASN A 63 -14.158 1.570 2.926 1.00 30.12 H new ATOM 0 HB3 ASN A 63 -14.496 1.030 1.294 1.00 30.12 H new ATOM 0 HD21 ASN A 63 -17.466 1.030 3.920 1.00 15.44 H new ATOM 0 HD22 ASN A 63 -16.002 2.017 3.963 1.00 15.44 H new ATOM 966 N ASN A 64 -13.057 -1.278 0.304 1.00 44.31 N ATOM 967 CA ASN A 64 -12.256 -1.460 -0.902 1.00 54.50 C ATOM 968 C ASN A 64 -12.343 -0.231 -1.802 1.00 43.30 C ATOM 969 O ASN A 64 -13.389 0.413 -1.890 1.00 25.53 O ATOM 970 CB ASN A 64 -12.722 -2.701 -1.666 1.00 34.14 C ATOM 971 CG ASN A 64 -14.222 -2.710 -1.893 1.00 41.31 C ATOM 972 OD1 ASN A 64 -15.003 -2.832 -0.950 1.00 41.32 O ATOM 973 ND2 ASN A 64 -14.631 -2.582 -3.150 1.00 21.12 N ATOM 0 H ASN A 64 -13.967 -1.739 0.280 1.00 44.31 H new ATOM 0 HA ASN A 64 -11.217 -1.596 -0.602 1.00 54.50 H new ATOM 0 HB2 ASN A 64 -12.211 -2.745 -2.628 1.00 34.14 H new ATOM 0 HB3 ASN A 64 -12.436 -3.595 -1.112 1.00 34.14 H new ATOM 0 HD21 ASN A 64 -15.628 -2.582 -3.364 1.00 21.12 H new ATOM 0 HD22 ASN A 64 -13.948 -2.483 -3.901 1.00 21.12 H new ATOM 979 N ILE A 65 -11.238 0.088 -2.466 1.00 75.50 N ATOM 980 CA ILE A 65 -11.190 1.239 -3.360 1.00 44.34 C ATOM 981 C ILE A 65 -11.908 0.944 -4.673 1.00 33.14 C ATOM 982 O ILE A 65 -12.425 1.850 -5.328 1.00 0.52 O ATOM 983 CB ILE A 65 -9.739 1.655 -3.665 1.00 41.55 C ATOM 984 CG1 ILE A 65 -9.006 0.532 -4.399 1.00 20.22 C ATOM 985 CG2 ILE A 65 -9.011 2.017 -2.377 1.00 65.42 C ATOM 986 CD1 ILE A 65 -7.556 0.847 -4.695 1.00 34.54 C ATOM 0 H ILE A 65 -10.364 -0.434 -2.402 1.00 75.50 H new ATOM 0 HA ILE A 65 -11.694 2.058 -2.847 1.00 44.34 H new ATOM 0 HB ILE A 65 -9.756 2.533 -4.310 1.00 41.55 H new ATOM 0 HG12 ILE A 65 -9.057 -0.376 -3.799 1.00 20.22 H new ATOM 0 HG13 ILE A 65 -9.523 0.324 -5.336 1.00 20.22 H new ATOM 0 HG21 ILE A 65 -7.987 2.309 -2.608 1.00 65.42 H new ATOM 0 HG22 ILE A 65 -9.524 2.846 -1.890 1.00 65.42 H new ATOM 0 HG23 ILE A 65 -9.001 1.155 -1.710 1.00 65.42 H new ATOM 0 HD11 ILE A 65 -7.100 0.006 -5.217 1.00 34.54 H new ATOM 0 HD12 ILE A 65 -7.498 1.737 -5.321 1.00 34.54 H new ATOM 0 HD13 ILE A 65 -7.024 1.026 -3.760 1.00 34.54 H new ATOM 997 N THR A 66 -11.938 -0.329 -5.052 1.00 22.30 N ATOM 998 CA THR A 66 -12.593 -0.743 -6.287 1.00 65.35 C ATOM 999 C THR A 66 -14.079 -0.406 -6.261 1.00 12.52 C ATOM 1000 O THR A 66 -14.699 -0.206 -7.305 1.00 72.12 O ATOM 1001 CB THR A 66 -12.426 -2.255 -6.531 1.00 22.00 C ATOM 1002 OG1 THR A 66 -13.222 -2.993 -5.598 1.00 0.10 O ATOM 1003 CG2 THR A 66 -10.967 -2.667 -6.399 1.00 60.00 C ATOM 0 H THR A 66 -11.516 -1.092 -4.522 1.00 22.30 H new ATOM 0 HA THR A 66 -12.113 -0.195 -7.098 1.00 65.35 H new ATOM 0 HB THR A 66 -12.759 -2.476 -7.545 1.00 22.00 H new ATOM 0 HG1 THR A 66 -13.111 -3.953 -5.761 1.00 0.10 H new ATOM 0 HG21 THR A 66 -10.874 -3.739 -6.575 1.00 60.00 H new ATOM 0 HG22 THR A 66 -10.368 -2.125 -7.131 1.00 60.00 H new ATOM 0 HG23 THR A 66 -10.612 -2.432 -5.395 1.00 60.00 H new ATOM 1011 N SER A 67 -14.645 -0.343 -5.060 1.00 3.33 N ATOM 1012 CA SER A 67 -16.061 -0.032 -4.898 1.00 2.05 C ATOM 1013 C SER A 67 -16.435 1.222 -5.683 1.00 1.15 C ATOM 1014 O SER A 67 -17.452 1.253 -6.376 1.00 42.33 O ATOM 1015 CB SER A 67 -16.397 0.159 -3.418 1.00 12.05 C ATOM 1016 OG SER A 67 -17.508 1.024 -3.254 1.00 34.44 O ATOM 0 H SER A 67 -14.145 -0.503 -4.185 1.00 3.33 H new ATOM 0 HA SER A 67 -16.639 -0.870 -5.289 1.00 2.05 H new ATOM 0 HB2 SER A 67 -16.615 -0.808 -2.964 1.00 12.05 H new ATOM 0 HB3 SER A 67 -15.533 0.569 -2.896 1.00 12.05 H new ATOM 0 HG SER A 67 -17.703 1.128 -2.299 1.00 34.44 H new ATOM 1021 N MET A 68 -15.606 2.254 -5.568 1.00 50.14 N ATOM 1022 CA MET A 68 -15.848 3.510 -6.267 1.00 62.51 C ATOM 1023 C MET A 68 -14.704 3.829 -7.224 1.00 25.44 C ATOM 1024 O MET A 68 -14.831 3.664 -8.438 1.00 31.05 O ATOM 1025 CB MET A 68 -16.022 4.652 -5.263 1.00 63.13 C ATOM 1026 CG MET A 68 -15.432 4.353 -3.894 1.00 64.30 C ATOM 1027 SD MET A 68 -15.654 5.712 -2.731 1.00 41.01 S ATOM 1028 CE MET A 68 -14.039 5.760 -1.955 1.00 21.24 C ATOM 0 H MET A 68 -14.761 2.245 -4.997 1.00 50.14 H new ATOM 0 HA MET A 68 -16.764 3.403 -6.847 1.00 62.51 H new ATOM 0 HB2 MET A 68 -15.553 5.551 -5.663 1.00 63.13 H new ATOM 0 HB3 MET A 68 -17.084 4.869 -5.152 1.00 63.13 H new ATOM 0 HG2 MET A 68 -15.898 3.454 -3.490 1.00 64.30 H new ATOM 0 HG3 MET A 68 -14.368 4.140 -4.000 1.00 64.30 H new ATOM 0 HE1 MET A 68 -14.018 6.553 -1.208 1.00 21.24 H new ATOM 0 HE2 MET A 68 -13.838 4.803 -1.474 1.00 21.24 H new ATOM 0 HE3 MET A 68 -13.278 5.953 -2.711 1.00 21.24 H new ATOM 1036 N LYS A 69 -13.586 4.286 -6.672 1.00 55.10 N ATOM 1037 CA LYS A 69 -12.418 4.628 -7.475 1.00 60.42 C ATOM 1038 C LYS A 69 -11.200 3.822 -7.035 1.00 51.34 C ATOM 1039 O LYS A 69 -10.842 3.813 -5.857 1.00 22.34 O ATOM 1040 CB LYS A 69 -12.119 6.124 -7.368 1.00 53.14 C ATOM 1041 CG LYS A 69 -13.017 6.988 -8.238 1.00 52.33 C ATOM 1042 CD LYS A 69 -13.182 8.382 -7.656 1.00 11.23 C ATOM 1043 CE LYS A 69 -14.255 9.169 -8.393 1.00 54.21 C ATOM 1044 NZ LYS A 69 -14.002 10.636 -8.338 1.00 0.51 N ATOM 0 H LYS A 69 -13.464 4.429 -5.669 1.00 55.10 H new ATOM 0 HA LYS A 69 -12.638 4.382 -8.514 1.00 60.42 H new ATOM 0 HB2 LYS A 69 -12.227 6.434 -6.329 1.00 53.14 H new ATOM 0 HB3 LYS A 69 -11.080 6.299 -7.647 1.00 53.14 H new ATOM 0 HG2 LYS A 69 -12.595 7.059 -9.241 1.00 52.33 H new ATOM 0 HG3 LYS A 69 -13.994 6.515 -8.336 1.00 52.33 H new ATOM 0 HD2 LYS A 69 -13.443 8.308 -6.600 1.00 11.23 H new ATOM 0 HD3 LYS A 69 -12.234 8.916 -7.713 1.00 11.23 H new ATOM 0 HE2 LYS A 69 -14.293 8.846 -9.433 1.00 54.21 H new ATOM 0 HE3 LYS A 69 -15.230 8.952 -7.956 1.00 54.21 H new ATOM 0 HZ1 LYS A 69 -14.755 11.138 -8.851 1.00 0.51 H new ATOM 0 HZ2 LYS A 69 -13.991 10.949 -7.346 1.00 0.51 H new ATOM 0 HZ3 LYS A 69 -13.083 10.847 -8.778 1.00 0.51 H new ATOM 1054 N GLY A 70 -10.566 3.148 -7.989 1.00 73.14 N ATOM 1055 CA GLY A 70 -9.393 2.350 -7.679 1.00 3.22 C ATOM 1056 C GLY A 70 -8.288 3.168 -7.040 1.00 25.21 C ATOM 1057 O GLY A 70 -8.300 3.407 -5.832 1.00 21.24 O ATOM 0 H GLY A 70 -10.843 3.140 -8.971 1.00 73.14 H new ATOM 0 HA2 GLY A 70 -9.676 1.540 -7.007 1.00 3.22 H new ATOM 0 HA3 GLY A 70 -9.018 1.890 -8.593 1.00 3.22 H new ATOM 1061 N LEU A 71 -7.327 3.596 -7.852 1.00 0.01 N ATOM 1062 CA LEU A 71 -6.208 4.391 -7.359 1.00 70.31 C ATOM 1063 C LEU A 71 -6.631 5.834 -7.111 1.00 35.44 C ATOM 1064 O LEU A 71 -5.939 6.586 -6.425 1.00 73.51 O ATOM 1065 CB LEU A 71 -5.050 4.352 -8.358 1.00 31.25 C ATOM 1066 CG LEU A 71 -3.645 4.445 -7.763 1.00 20.02 C ATOM 1067 CD1 LEU A 71 -3.129 3.063 -7.395 1.00 54.24 C ATOM 1068 CD2 LEU A 71 -2.697 5.129 -8.737 1.00 64.25 C ATOM 0 H LEU A 71 -7.301 3.406 -8.854 1.00 0.01 H new ATOM 0 HA LEU A 71 -5.879 3.961 -6.413 1.00 70.31 H new ATOM 0 HB2 LEU A 71 -5.120 3.426 -8.929 1.00 31.25 H new ATOM 0 HB3 LEU A 71 -5.178 5.172 -9.064 1.00 31.25 H new ATOM 0 HG LEU A 71 -3.695 5.045 -6.855 1.00 20.02 H new ATOM 0 HD11 LEU A 71 -2.128 3.149 -6.973 1.00 54.24 H new ATOM 0 HD12 LEU A 71 -3.795 2.610 -6.660 1.00 54.24 H new ATOM 0 HD13 LEU A 71 -3.094 2.438 -8.287 1.00 54.24 H new ATOM 0 HD21 LEU A 71 -1.702 5.186 -8.296 1.00 64.25 H new ATOM 0 HD22 LEU A 71 -2.651 4.556 -9.663 1.00 64.25 H new ATOM 0 HD23 LEU A 71 -3.058 6.135 -8.950 1.00 64.25 H new ATOM 1079 N ASP A 72 -7.775 6.215 -7.672 1.00 43.41 N ATOM 1080 CA ASP A 72 -8.294 7.568 -7.508 1.00 25.41 C ATOM 1081 C ASP A 72 -8.943 7.739 -6.139 1.00 4.24 C ATOM 1082 O ASP A 72 -9.392 8.830 -5.784 1.00 71.45 O ATOM 1083 CB ASP A 72 -9.306 7.885 -8.610 1.00 4.14 C ATOM 1084 CG ASP A 72 -8.684 8.639 -9.769 1.00 73.22 C ATOM 1085 OD1 ASP A 72 -7.439 8.654 -9.866 1.00 34.43 O ATOM 1086 OD2 ASP A 72 -9.442 9.212 -10.579 1.00 54.33 O ATOM 0 H ASP A 72 -8.360 5.606 -8.244 1.00 43.41 H new ATOM 0 HA ASP A 72 -7.458 8.263 -7.582 1.00 25.41 H new ATOM 0 HB2 ASP A 72 -9.742 6.956 -8.977 1.00 4.14 H new ATOM 0 HB3 ASP A 72 -10.121 8.476 -8.192 1.00 4.14 H new ATOM 1090 N THR A 73 -8.992 6.654 -5.373 1.00 51.50 N ATOM 1091 CA THR A 73 -9.589 6.683 -4.043 1.00 61.34 C ATOM 1092 C THR A 73 -8.851 7.658 -3.131 1.00 4.42 C ATOM 1093 O THR A 73 -7.623 7.730 -3.148 1.00 33.25 O ATOM 1094 CB THR A 73 -9.583 5.287 -3.394 1.00 63.15 C ATOM 1095 OG1 THR A 73 -10.882 4.693 -3.496 1.00 30.21 O ATOM 1096 CG2 THR A 73 -9.172 5.372 -1.931 1.00 4.32 C ATOM 0 H THR A 73 -8.625 5.744 -5.651 1.00 51.50 H new ATOM 0 HA THR A 73 -10.620 7.014 -4.166 1.00 61.34 H new ATOM 0 HB THR A 73 -8.859 4.668 -3.923 1.00 63.15 H new ATOM 0 HG1 THR A 73 -11.145 4.640 -4.439 1.00 30.21 H new ATOM 0 HG21 THR A 73 -9.175 4.374 -1.494 1.00 4.32 H new ATOM 0 HG22 THR A 73 -8.171 5.797 -1.858 1.00 4.32 H new ATOM 0 HG23 THR A 73 -9.875 6.006 -1.392 1.00 4.32 H new ATOM 1104 N GLU A 74 -9.611 8.406 -2.336 1.00 65.13 N ATOM 1105 CA GLU A 74 -9.028 9.377 -1.417 1.00 41.42 C ATOM 1106 C GLU A 74 -8.887 8.784 -0.018 1.00 14.31 C ATOM 1107 O GLU A 74 -9.534 7.792 0.316 1.00 4.52 O ATOM 1108 CB GLU A 74 -9.887 10.641 -1.364 1.00 13.30 C ATOM 1109 CG GLU A 74 -11.217 10.444 -0.654 1.00 55.43 C ATOM 1110 CD GLU A 74 -12.216 11.539 -0.973 1.00 30.53 C ATOM 1111 OE1 GLU A 74 -11.809 12.561 -1.563 1.00 32.31 O ATOM 1112 OE2 GLU A 74 -13.406 11.372 -0.633 1.00 1.22 O ATOM 0 H GLU A 74 -10.630 8.358 -2.310 1.00 65.13 H new ATOM 0 HA GLU A 74 -8.035 9.637 -1.784 1.00 41.42 H new ATOM 0 HB2 GLU A 74 -9.328 11.429 -0.859 1.00 13.30 H new ATOM 0 HB3 GLU A 74 -10.075 10.985 -2.381 1.00 13.30 H new ATOM 0 HG2 GLU A 74 -11.637 9.480 -0.939 1.00 55.43 H new ATOM 0 HG3 GLU A 74 -11.049 10.413 0.423 1.00 55.43 H new ATOM 1117 N ILE A 75 -8.037 9.401 0.796 1.00 52.11 N ATOM 1118 CA ILE A 75 -7.812 8.936 2.160 1.00 31.21 C ATOM 1119 C ILE A 75 -7.496 10.100 3.092 1.00 74.05 C ATOM 1120 O ILE A 75 -6.478 10.778 2.936 1.00 0.41 O ATOM 1121 CB ILE A 75 -6.660 7.915 2.223 1.00 33.33 C ATOM 1122 CG1 ILE A 75 -5.480 8.392 1.375 1.00 62.25 C ATOM 1123 CG2 ILE A 75 -7.138 6.549 1.754 1.00 42.51 C ATOM 1124 CD1 ILE A 75 -4.304 7.440 1.386 1.00 44.53 C ATOM 0 H ILE A 75 -7.493 10.223 0.535 1.00 52.11 H new ATOM 0 HA ILE A 75 -8.733 8.453 2.485 1.00 31.21 H new ATOM 0 HB ILE A 75 -6.328 7.827 3.257 1.00 33.33 H new ATOM 0 HG12 ILE A 75 -5.815 8.531 0.347 1.00 62.25 H new ATOM 0 HG13 ILE A 75 -5.152 9.366 1.738 1.00 62.25 H new ATOM 0 HG21 ILE A 75 -6.313 5.838 1.804 1.00 42.51 H new ATOM 0 HG22 ILE A 75 -7.951 6.208 2.395 1.00 42.51 H new ATOM 0 HG23 ILE A 75 -7.493 6.621 0.726 1.00 42.51 H new ATOM 0 HD11 ILE A 75 -3.504 7.842 0.764 1.00 44.53 H new ATOM 0 HD12 ILE A 75 -3.943 7.319 2.407 1.00 44.53 H new ATOM 0 HD13 ILE A 75 -4.616 6.472 0.995 1.00 44.53 H new ATOM 1135 N LYS A 76 -8.372 10.328 4.064 1.00 62.32 N ATOM 1136 CA LYS A 76 -8.186 11.408 5.025 1.00 11.21 C ATOM 1137 C LYS A 76 -7.164 11.021 6.089 1.00 4.22 C ATOM 1138 O LYS A 76 -6.703 9.880 6.134 1.00 2.44 O ATOM 1139 CB LYS A 76 -9.519 11.763 5.690 1.00 23.43 C ATOM 1140 CG LYS A 76 -10.642 12.020 4.700 1.00 4.32 C ATOM 1141 CD LYS A 76 -11.865 12.605 5.384 1.00 11.10 C ATOM 1142 CE LYS A 76 -11.774 14.121 5.488 1.00 43.10 C ATOM 1143 NZ LYS A 76 -12.783 14.674 6.433 1.00 62.14 N ATOM 0 H LYS A 76 -9.219 9.778 4.207 1.00 62.32 H new ATOM 0 HA LYS A 76 -7.812 12.278 4.486 1.00 11.21 H new ATOM 0 HB2 LYS A 76 -9.811 10.951 6.356 1.00 23.43 H new ATOM 0 HB3 LYS A 76 -9.382 12.649 6.310 1.00 23.43 H new ATOM 0 HG2 LYS A 76 -10.296 12.704 3.925 1.00 4.32 H new ATOM 0 HG3 LYS A 76 -10.912 11.087 4.205 1.00 4.32 H new ATOM 0 HD2 LYS A 76 -12.761 12.331 4.827 1.00 11.10 H new ATOM 0 HD3 LYS A 76 -11.966 12.176 6.381 1.00 11.10 H new ATOM 0 HE2 LYS A 76 -10.774 14.403 5.818 1.00 43.10 H new ATOM 0 HE3 LYS A 76 -11.920 14.562 4.502 1.00 43.10 H new ATOM 0 HZ1 LYS A 76 -12.688 15.709 6.476 1.00 62.14 H new ATOM 0 HZ2 LYS A 76 -13.738 14.427 6.104 1.00 62.14 H new ATOM 0 HZ3 LYS A 76 -12.628 14.273 7.380 1.00 62.14 H new ATOM 1153 N ASP A 77 -6.815 11.976 6.943 1.00 43.41 N ATOM 1154 CA ASP A 77 -5.849 11.732 8.009 1.00 32.21 C ATOM 1155 C ASP A 77 -6.354 10.657 8.966 1.00 14.21 C ATOM 1156 O ASP A 77 -5.565 9.941 9.583 1.00 31.04 O ATOM 1157 CB ASP A 77 -5.569 13.026 8.777 1.00 63.31 C ATOM 1158 CG ASP A 77 -6.626 13.319 9.822 1.00 15.40 C ATOM 1159 OD1 ASP A 77 -7.653 13.938 9.471 1.00 72.44 O ATOM 1160 OD2 ASP A 77 -6.429 12.929 10.992 1.00 21.32 O ATOM 0 H ASP A 77 -7.186 12.926 6.919 1.00 43.41 H new ATOM 0 HA ASP A 77 -4.923 11.380 7.554 1.00 32.21 H new ATOM 0 HB2 ASP A 77 -4.595 12.955 9.260 1.00 63.31 H new ATOM 0 HB3 ASP A 77 -5.516 13.858 8.075 1.00 63.31 H new ATOM 1164 N ASP A 78 -7.672 10.551 9.085 1.00 21.11 N ATOM 1165 CA ASP A 78 -8.283 9.563 9.967 1.00 24.23 C ATOM 1166 C ASP A 78 -8.281 8.181 9.319 1.00 54.32 C ATOM 1167 O ASP A 78 -8.163 7.165 10.004 1.00 3.14 O ATOM 1168 CB ASP A 78 -9.715 9.975 10.315 1.00 44.04 C ATOM 1169 CG ASP A 78 -10.154 9.454 11.669 1.00 43.43 C ATOM 1170 OD1 ASP A 78 -9.292 9.327 12.565 1.00 25.44 O ATOM 1171 OD2 ASP A 78 -11.360 9.174 11.835 1.00 70.43 O ATOM 0 H ASP A 78 -8.339 11.137 8.582 1.00 21.11 H new ATOM 0 HA ASP A 78 -7.694 9.516 10.883 1.00 24.23 H new ATOM 0 HB2 ASP A 78 -9.790 11.062 10.306 1.00 44.04 H new ATOM 0 HB3 ASP A 78 -10.394 9.602 9.548 1.00 44.04 H new ATOM 1175 N ASP A 79 -8.413 8.153 7.998 1.00 1.10 N ATOM 1176 CA ASP A 79 -8.426 6.897 7.259 1.00 24.52 C ATOM 1177 C ASP A 79 -7.214 6.042 7.616 1.00 23.22 C ATOM 1178 O ASP A 79 -6.195 6.555 8.080 1.00 65.32 O ATOM 1179 CB ASP A 79 -8.448 7.167 5.752 1.00 51.45 C ATOM 1180 CG ASP A 79 -9.796 7.671 5.275 1.00 3.13 C ATOM 1181 OD1 ASP A 79 -10.524 8.278 6.087 1.00 40.35 O ATOM 1182 OD2 ASP A 79 -10.123 7.456 4.089 1.00 41.21 O ATOM 0 H ASP A 79 -8.512 8.986 7.417 1.00 1.10 H new ATOM 0 HA ASP A 79 -9.328 6.351 7.537 1.00 24.52 H new ATOM 0 HB2 ASP A 79 -7.681 7.901 5.506 1.00 51.45 H new ATOM 0 HB3 ASP A 79 -8.196 6.251 5.218 1.00 51.45 H new ATOM 1186 N LYS A 80 -7.333 4.736 7.400 1.00 75.35 N ATOM 1187 CA LYS A 80 -6.247 3.810 7.699 1.00 51.23 C ATOM 1188 C LYS A 80 -6.244 2.640 6.719 1.00 12.42 C ATOM 1189 O LYS A 80 -7.297 2.101 6.380 1.00 21.14 O ATOM 1190 CB LYS A 80 -6.375 3.288 9.131 1.00 52.42 C ATOM 1191 CG LYS A 80 -7.551 2.348 9.334 1.00 51.14 C ATOM 1192 CD LYS A 80 -7.625 1.846 10.766 1.00 55.14 C ATOM 1193 CE LYS A 80 -9.029 1.389 11.126 1.00 11.24 C ATOM 1194 NZ LYS A 80 -9.286 -0.011 10.689 1.00 11.32 N ATOM 0 H LYS A 80 -8.170 4.295 7.019 1.00 75.35 H new ATOM 0 HA LYS A 80 -5.305 4.349 7.597 1.00 51.23 H new ATOM 0 HB2 LYS A 80 -5.456 2.770 9.403 1.00 52.42 H new ATOM 0 HB3 LYS A 80 -6.476 4.135 9.810 1.00 52.42 H new ATOM 0 HG2 LYS A 80 -8.477 2.863 9.080 1.00 51.14 H new ATOM 0 HG3 LYS A 80 -7.461 1.500 8.655 1.00 51.14 H new ATOM 0 HD2 LYS A 80 -6.927 1.019 10.899 1.00 55.14 H new ATOM 0 HD3 LYS A 80 -7.314 2.638 11.447 1.00 55.14 H new ATOM 0 HE2 LYS A 80 -9.170 1.465 12.204 1.00 11.24 H new ATOM 0 HE3 LYS A 80 -9.757 2.054 10.662 1.00 11.24 H new ATOM 0 HZ1 LYS A 80 -10.173 -0.048 10.147 1.00 11.32 H new ATOM 0 HZ2 LYS A 80 -8.500 -0.338 10.091 1.00 11.32 H new ATOM 0 HZ3 LYS A 80 -9.365 -0.626 11.524 1.00 11.32 H new ATOM 1204 N ILE A 81 -5.055 2.254 6.270 1.00 31.20 N ATOM 1205 CA ILE A 81 -4.917 1.147 5.331 1.00 70.15 C ATOM 1206 C ILE A 81 -4.418 -0.111 6.035 1.00 31.11 C ATOM 1207 O ILE A 81 -3.482 -0.058 6.832 1.00 43.34 O ATOM 1208 CB ILE A 81 -3.950 1.499 4.185 1.00 43.04 C ATOM 1209 CG1 ILE A 81 -4.343 2.832 3.547 1.00 15.51 C ATOM 1210 CG2 ILE A 81 -3.937 0.390 3.143 1.00 2.43 C ATOM 1211 CD1 ILE A 81 -3.578 4.015 4.097 1.00 44.11 C ATOM 0 H ILE A 81 -4.174 2.691 6.541 1.00 31.20 H new ATOM 0 HA ILE A 81 -5.907 0.959 4.915 1.00 70.15 H new ATOM 0 HB ILE A 81 -2.945 1.597 4.595 1.00 43.04 H new ATOM 0 HG12 ILE A 81 -4.179 2.773 2.471 1.00 15.51 H new ATOM 0 HG13 ILE A 81 -5.410 2.997 3.699 1.00 15.51 H new ATOM 0 HG21 ILE A 81 -3.249 0.654 2.340 1.00 2.43 H new ATOM 0 HG22 ILE A 81 -3.613 -0.542 3.607 1.00 2.43 H new ATOM 0 HG23 ILE A 81 -4.940 0.263 2.735 1.00 2.43 H new ATOM 0 HD11 ILE A 81 -3.909 4.926 3.598 1.00 44.11 H new ATOM 0 HD12 ILE A 81 -3.761 4.101 5.168 1.00 44.11 H new ATOM 0 HD13 ILE A 81 -2.512 3.872 3.921 1.00 44.11 H new ATOM 1222 N ASP A 82 -5.049 -1.239 5.732 1.00 44.03 N ATOM 1223 CA ASP A 82 -4.668 -2.513 6.333 1.00 75.03 C ATOM 1224 C ASP A 82 -4.511 -3.592 5.266 1.00 2.15 C ATOM 1225 O ASP A 82 -5.369 -3.749 4.396 1.00 45.55 O ATOM 1226 CB ASP A 82 -5.709 -2.946 7.365 1.00 12.52 C ATOM 1227 CG ASP A 82 -6.100 -1.820 8.302 1.00 35.11 C ATOM 1228 OD1 ASP A 82 -5.223 -0.998 8.639 1.00 15.34 O ATOM 1229 OD2 ASP A 82 -7.284 -1.760 8.696 1.00 70.21 O ATOM 0 H ASP A 82 -5.826 -1.298 5.074 1.00 44.03 H new ATOM 0 HA ASP A 82 -3.708 -2.379 6.832 1.00 75.03 H new ATOM 0 HB2 ASP A 82 -6.597 -3.310 6.849 1.00 12.52 H new ATOM 0 HB3 ASP A 82 -5.314 -3.779 7.947 1.00 12.52 H new ATOM 1233 N LEU A 83 -3.410 -4.332 5.338 1.00 5.33 N ATOM 1234 CA LEU A 83 -3.140 -5.396 4.378 1.00 24.44 C ATOM 1235 C LEU A 83 -3.176 -6.763 5.054 1.00 52.20 C ATOM 1236 O LEU A 83 -2.720 -6.918 6.187 1.00 65.34 O ATOM 1237 CB LEU A 83 -1.779 -5.179 3.715 1.00 34.12 C ATOM 1238 CG LEU A 83 -1.549 -5.915 2.395 1.00 22.25 C ATOM 1239 CD1 LEU A 83 -1.045 -4.956 1.328 1.00 35.23 C ATOM 1240 CD2 LEU A 83 -0.569 -7.063 2.587 1.00 61.24 C ATOM 0 H LEU A 83 -2.690 -4.215 6.051 1.00 5.33 H new ATOM 0 HA LEU A 83 -3.918 -5.368 3.615 1.00 24.44 H new ATOM 0 HB2 LEU A 83 -1.649 -4.111 3.539 1.00 34.12 H new ATOM 0 HB3 LEU A 83 -1.003 -5.483 4.417 1.00 34.12 H new ATOM 0 HG LEU A 83 -2.501 -6.328 2.063 1.00 22.25 H new ATOM 0 HD11 LEU A 83 -0.887 -5.499 0.396 1.00 35.23 H new ATOM 0 HD12 LEU A 83 -1.782 -4.169 1.169 1.00 35.23 H new ATOM 0 HD13 LEU A 83 -0.104 -4.512 1.653 1.00 35.23 H new ATOM 0 HD21 LEU A 83 -0.418 -7.575 1.637 1.00 61.24 H new ATOM 0 HD22 LEU A 83 0.384 -6.672 2.944 1.00 61.24 H new ATOM 0 HD23 LEU A 83 -0.970 -7.765 3.318 1.00 61.24 H new ATOM 1251 N PHE A 84 -3.721 -7.751 4.352 1.00 43.05 N ATOM 1252 CA PHE A 84 -3.815 -9.105 4.884 1.00 0.53 C ATOM 1253 C PHE A 84 -3.249 -10.119 3.896 1.00 63.44 C ATOM 1254 O PHE A 84 -3.393 -9.986 2.680 1.00 65.25 O ATOM 1255 CB PHE A 84 -5.272 -9.449 5.206 1.00 53.35 C ATOM 1256 CG PHE A 84 -5.682 -9.071 6.601 1.00 2.20 C ATOM 1257 CD1 PHE A 84 -5.709 -7.743 6.994 1.00 31.32 C ATOM 1258 CD2 PHE A 84 -6.041 -10.044 7.520 1.00 22.02 C ATOM 1259 CE1 PHE A 84 -6.085 -7.392 8.277 1.00 30.11 C ATOM 1260 CE2 PHE A 84 -6.419 -9.700 8.804 1.00 1.43 C ATOM 1261 CZ PHE A 84 -6.442 -8.372 9.183 1.00 32.40 C ATOM 0 H PHE A 84 -4.104 -7.639 3.413 1.00 43.05 H new ATOM 0 HA PHE A 84 -3.226 -9.150 5.800 1.00 0.53 H new ATOM 0 HB2 PHE A 84 -5.923 -8.941 4.494 1.00 53.35 H new ATOM 0 HB3 PHE A 84 -5.423 -10.520 5.069 1.00 53.35 H new ATOM 0 HD1 PHE A 84 -5.433 -6.972 6.289 1.00 31.32 H new ATOM 0 HD2 PHE A 84 -6.025 -11.084 7.229 1.00 22.02 H new ATOM 0 HE1 PHE A 84 -6.100 -6.353 8.571 1.00 30.11 H new ATOM 0 HE2 PHE A 84 -6.696 -10.469 9.510 1.00 1.43 H new ATOM 0 HZ PHE A 84 -6.738 -8.100 10.185 1.00 32.40 H new ATOM 1270 N PRO A 85 -2.588 -11.158 4.427 1.00 65.05 N ATOM 1271 CA PRO A 85 -1.986 -12.216 3.610 1.00 72.45 C ATOM 1272 C PRO A 85 -3.033 -13.099 2.941 1.00 51.01 C ATOM 1273 O PRO A 85 -4.202 -13.116 3.327 1.00 64.40 O ATOM 1274 CB PRO A 85 -1.170 -13.025 4.622 1.00 20.54 C ATOM 1275 CG PRO A 85 -1.843 -12.785 5.929 1.00 73.54 C ATOM 1276 CD PRO A 85 -2.377 -11.381 5.868 1.00 74.12 C ATOM 0 HA PRO A 85 -1.392 -11.810 2.791 1.00 72.45 H new ATOM 0 HB2 PRO A 85 -1.164 -14.085 4.369 1.00 20.54 H new ATOM 0 HB3 PRO A 85 -0.131 -12.697 4.646 1.00 20.54 H new ATOM 0 HG2 PRO A 85 -2.648 -13.502 6.091 1.00 73.54 H new ATOM 0 HG3 PRO A 85 -1.142 -12.900 6.756 1.00 73.54 H new ATOM 0 HD2 PRO A 85 -3.305 -11.279 6.430 1.00 74.12 H new ATOM 0 HD3 PRO A 85 -1.671 -10.664 6.286 1.00 74.12 H new ATOM 1281 N PRO A 86 -2.607 -13.851 1.916 1.00 4.10 N ATOM 1282 CA PRO A 86 -3.493 -14.752 1.173 1.00 30.42 C ATOM 1283 C PRO A 86 -3.925 -15.956 2.003 1.00 14.24 C ATOM 1284 O PRO A 86 -3.213 -16.383 2.912 1.00 23.12 O ATOM 1285 CB PRO A 86 -2.632 -15.200 -0.011 1.00 43.10 C ATOM 1286 CG PRO A 86 -1.228 -15.057 0.467 1.00 62.30 C ATOM 1287 CD PRO A 86 -1.227 -13.880 1.403 1.00 62.33 C ATOM 0 HA PRO A 86 -4.421 -14.261 0.881 1.00 30.42 H new ATOM 0 HB2 PRO A 86 -2.851 -16.230 -0.293 1.00 43.10 H new ATOM 0 HB3 PRO A 86 -2.816 -14.583 -0.890 1.00 43.10 H new ATOM 0 HG2 PRO A 86 -0.895 -15.961 0.977 1.00 62.30 H new ATOM 0 HG3 PRO A 86 -0.546 -14.892 -0.368 1.00 62.30 H new ATOM 0 HD2 PRO A 86 -0.502 -14.007 2.207 1.00 62.33 H new ATOM 0 HD3 PRO A 86 -0.971 -12.955 0.886 1.00 62.33 H new ATOM 1292 N VAL A 87 -5.097 -16.498 1.686 1.00 51.30 N ATOM 1293 CA VAL A 87 -5.623 -17.653 2.403 1.00 62.51 C ATOM 1294 C VAL A 87 -4.628 -18.808 2.389 1.00 44.00 C ATOM 1295 O VAL A 87 -4.621 -19.646 3.291 1.00 23.32 O ATOM 1296 CB VAL A 87 -6.956 -18.131 1.795 1.00 71.30 C ATOM 1297 CG1 VAL A 87 -8.059 -17.120 2.065 1.00 75.24 C ATOM 1298 CG2 VAL A 87 -6.801 -18.379 0.302 1.00 12.34 C ATOM 0 H VAL A 87 -5.700 -16.156 0.938 1.00 51.30 H new ATOM 0 HA VAL A 87 -5.794 -17.337 3.432 1.00 62.51 H new ATOM 0 HB VAL A 87 -7.236 -19.072 2.269 1.00 71.30 H new ATOM 0 HG11 VAL A 87 -8.993 -17.475 1.628 1.00 75.24 H new ATOM 0 HG12 VAL A 87 -8.185 -16.998 3.141 1.00 75.24 H new ATOM 0 HG13 VAL A 87 -7.791 -16.162 1.620 1.00 75.24 H new ATOM 0 HG21 VAL A 87 -7.752 -18.716 -0.111 1.00 12.34 H new ATOM 0 HG22 VAL A 87 -6.498 -17.455 -0.191 1.00 12.34 H new ATOM 0 HG23 VAL A 87 -6.042 -19.144 0.137 1.00 12.34 H new ATOM 1308 N ALA A 88 -3.788 -18.846 1.359 1.00 53.43 N ATOM 1309 CA ALA A 88 -2.786 -19.897 1.230 1.00 23.54 C ATOM 1310 C ALA A 88 -1.530 -19.560 2.026 1.00 24.14 C ATOM 1311 O ALA A 88 -0.796 -20.450 2.451 1.00 44.25 O ATOM 1312 CB ALA A 88 -2.440 -20.118 -0.236 1.00 5.12 C ATOM 0 H ALA A 88 -3.782 -18.162 0.603 1.00 53.43 H new ATOM 0 HA ALA A 88 -3.206 -20.817 1.637 1.00 23.54 H new ATOM 0 HB1 ALA A 88 -1.691 -20.905 -0.318 1.00 5.12 H new ATOM 0 HB2 ALA A 88 -3.337 -20.412 -0.781 1.00 5.12 H new ATOM 0 HB3 ALA A 88 -2.044 -19.195 -0.660 1.00 5.12 H new