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 64 ASN : amide:sc= -0.0111 K(o=0.18,f=-2.6!) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0.194 USER MOD Set 2.1: A 6 TYR OH : rot -109:sc= -0.168 USER MOD Set 2.2: A 14 THR OG1 : rot 156:sc= 1.49 USER MOD Set 2.3: A 38 TYR OH : rot -99:sc= 2.11 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.191 (180deg=-0.769) USER MOD Single : A 1 MET N :NH3+ -143:sc= -0.622 (180deg=-3.08!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0927 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc=-0.00682 (180deg=-0.112) USER MOD Single : A 20 THR OG1 : rot 115:sc= 1.14 USER MOD Single : A 22 ASN : amide:sc= -0.0437 X(o=-0.044,f=-0.44) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= 0.121 (180deg=0.0315) 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 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -51:sc= -0.558 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.56 K(o=-2.6,f=-7.3!) USER MOD Single : A 46 MET CE :methyl 170:sc= -0.707 (180deg=-1.08) USER MOD Single : A 47 TYR OH : rot -78:sc= 0.144 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.246 K(o=-0.25,f=-0.86) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.5) USER MOD Single : A 61 ASN : amide:sc= -0.668 K(o=-0.67,f=-2.1) USER MOD Single : A 63 ASN : amide:sc= -0.338 K(o=-0.34,f=-1) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 107:sc= 1.24 USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= -0.0266 (180deg=-0.325) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.860 11.873 7.561 1.00 41.30 N ATOM 2 CA MET A 1 -1.985 10.789 7.991 1.00 3.25 C ATOM 3 C MET A 1 -2.556 9.435 7.580 1.00 54.22 C ATOM 4 O MET A 1 -3.738 9.158 7.791 1.00 34.40 O ATOM 5 CB MET A 1 -1.788 10.833 9.507 1.00 13.13 C ATOM 6 CG MET A 1 -0.768 9.829 10.017 1.00 55.52 C ATOM 7 SD MET A 1 0.894 10.520 10.124 1.00 55.02 S ATOM 8 CE MET A 1 0.681 11.714 11.442 1.00 43.15 C ATOM 0 H1 MET A 1 -2.284 12.685 7.260 1.00 41.30 H new ATOM 0 H2 MET A 1 -3.447 11.551 6.765 1.00 41.30 H new ATOM 0 H3 MET A 1 -3.474 12.157 8.351 1.00 41.30 H new ATOM 0 HA MET A 1 -1.019 10.920 7.503 1.00 3.25 H new ATOM 0 HB2 MET A 1 -1.474 11.836 9.795 1.00 13.13 H new ATOM 0 HB3 MET A 1 -2.745 10.646 9.995 1.00 13.13 H new ATOM 0 HG2 MET A 1 -1.074 9.474 11.001 1.00 55.52 H new ATOM 0 HG3 MET A 1 -0.755 8.962 9.356 1.00 55.52 H new ATOM 0 HE1 MET A 1 1.641 11.897 11.926 1.00 43.15 H new ATOM 0 HE2 MET A 1 0.299 12.648 11.029 1.00 43.15 H new ATOM 0 HE3 MET A 1 -0.026 11.325 12.175 1.00 43.15 H new ATOM 16 N VAL A 2 -1.710 8.594 6.995 1.00 24.42 N ATOM 17 CA VAL A 2 -2.130 7.269 6.555 1.00 5.30 C ATOM 18 C VAL A 2 -1.320 6.178 7.245 1.00 65.25 C ATOM 19 O VAL A 2 -0.090 6.235 7.286 1.00 51.25 O ATOM 20 CB VAL A 2 -1.988 7.112 5.030 1.00 23.21 C ATOM 21 CG1 VAL A 2 -2.870 8.118 4.304 1.00 65.13 C ATOM 22 CG2 VAL A 2 -0.534 7.266 4.612 1.00 51.30 C ATOM 0 H VAL A 2 -0.729 8.807 6.815 1.00 24.42 H new ATOM 0 HA VAL A 2 -3.180 7.164 6.827 1.00 5.30 H new ATOM 0 HB VAL A 2 -2.318 6.111 4.753 1.00 23.21 H new ATOM 0 HG11 VAL A 2 -2.756 7.992 3.227 1.00 65.13 H new ATOM 0 HG12 VAL A 2 -3.912 7.955 4.580 1.00 65.13 H new ATOM 0 HG13 VAL A 2 -2.575 9.129 4.584 1.00 65.13 H new ATOM 0 HG21 VAL A 2 -0.452 7.152 3.531 1.00 51.30 H new ATOM 0 HG22 VAL A 2 -0.175 8.254 4.901 1.00 51.30 H new ATOM 0 HG23 VAL A 2 0.069 6.503 5.104 1.00 51.30 H new ATOM 32 N THR A 3 -2.016 5.183 7.787 1.00 32.55 N ATOM 33 CA THR A 3 -1.361 4.078 8.476 1.00 53.13 C ATOM 34 C THR A 3 -1.407 2.804 7.641 1.00 11.21 C ATOM 35 O THR A 3 -2.453 2.441 7.102 1.00 32.22 O ATOM 36 CB THR A 3 -2.012 3.806 9.846 1.00 20.23 C ATOM 37 OG1 THR A 3 -2.373 5.042 10.471 1.00 54.21 O ATOM 38 CG2 THR A 3 -1.066 3.031 10.750 1.00 15.31 C ATOM 0 H THR A 3 -3.034 5.120 7.762 1.00 32.55 H new ATOM 0 HA THR A 3 -0.322 4.371 8.628 1.00 53.13 H new ATOM 0 HB THR A 3 -2.908 3.206 9.685 1.00 20.23 H new ATOM 0 HG1 THR A 3 -2.788 4.860 11.340 1.00 54.21 H new ATOM 0 HG21 THR A 3 -1.547 2.851 11.711 1.00 15.31 H new ATOM 0 HG22 THR A 3 -0.817 2.077 10.284 1.00 15.31 H new ATOM 0 HG23 THR A 3 -0.154 3.609 10.903 1.00 15.31 H new ATOM 46 N VAL A 4 -0.268 2.127 7.539 1.00 34.35 N ATOM 47 CA VAL A 4 -0.179 0.892 6.770 1.00 43.11 C ATOM 48 C VAL A 4 0.175 -0.289 7.667 1.00 21.11 C ATOM 49 O VAL A 4 0.996 -0.166 8.577 1.00 21.54 O ATOM 50 CB VAL A 4 0.869 1.002 5.647 1.00 52.33 C ATOM 51 CG1 VAL A 4 0.358 1.893 4.525 1.00 65.33 C ATOM 52 CG2 VAL A 4 2.186 1.529 6.200 1.00 22.22 C ATOM 0 H VAL A 4 0.606 2.413 7.980 1.00 34.35 H new ATOM 0 HA VAL A 4 -1.160 0.726 6.325 1.00 43.11 H new ATOM 0 HB VAL A 4 1.044 0.007 5.237 1.00 52.33 H new ATOM 0 HG11 VAL A 4 1.112 1.959 3.741 1.00 65.33 H new ATOM 0 HG12 VAL A 4 -0.558 1.470 4.113 1.00 65.33 H new ATOM 0 HG13 VAL A 4 0.154 2.890 4.916 1.00 65.33 H new ATOM 0 HG21 VAL A 4 2.916 1.601 5.394 1.00 22.22 H new ATOM 0 HG22 VAL A 4 2.029 2.515 6.636 1.00 22.22 H new ATOM 0 HG23 VAL A 4 2.557 0.848 6.966 1.00 22.22 H new ATOM 62 N ARG A 5 -0.448 -1.433 7.405 1.00 22.23 N ATOM 63 CA ARG A 5 -0.199 -2.636 8.188 1.00 45.34 C ATOM 64 C ARG A 5 0.476 -3.709 7.338 1.00 41.04 C ATOM 65 O ARG A 5 0.189 -3.844 6.148 1.00 51.55 O ATOM 66 CB ARG A 5 -1.509 -3.176 8.764 1.00 11.40 C ATOM 67 CG ARG A 5 -1.327 -3.993 10.033 1.00 33.41 C ATOM 68 CD ARG A 5 -2.663 -4.447 10.600 1.00 72.33 C ATOM 69 NE ARG A 5 -3.335 -3.381 11.339 1.00 63.13 N ATOM 70 CZ ARG A 5 -4.516 -3.527 11.928 1.00 44.44 C ATOM 71 NH1 ARG A 5 -5.152 -4.689 11.866 1.00 21.04 N ATOM 72 NH2 ARG A 5 -5.063 -2.511 12.582 1.00 42.02 N ATOM 0 H ARG A 5 -1.130 -1.552 6.655 1.00 22.23 H new ATOM 0 HA ARG A 5 0.469 -2.373 9.008 1.00 45.34 H new ATOM 0 HB2 ARG A 5 -2.176 -2.340 8.973 1.00 11.40 H new ATOM 0 HB3 ARG A 5 -1.999 -3.794 8.012 1.00 11.40 H new ATOM 0 HG2 ARG A 5 -0.706 -4.863 9.821 1.00 33.41 H new ATOM 0 HG3 ARG A 5 -0.798 -3.398 10.777 1.00 33.41 H new ATOM 0 HD2 ARG A 5 -3.306 -4.785 9.787 1.00 72.33 H new ATOM 0 HD3 ARG A 5 -2.506 -5.301 11.259 1.00 72.33 H new ATOM 0 HE ARG A 5 -2.872 -2.475 11.406 1.00 63.13 H new ATOM 0 HH11 ARG A 5 -4.734 -5.473 11.365 1.00 21.04 H new ATOM 0 HH12 ARG A 5 -6.059 -4.799 12.319 1.00 21.04 H new ATOM 0 HH21 ARG A 5 -4.576 -1.616 12.633 1.00 42.02 H new ATOM 0 HH22 ARG A 5 -5.970 -2.625 13.034 1.00 42.02 H new ATOM 83 N TYR A 6 1.373 -4.468 7.957 1.00 43.12 N ATOM 84 CA TYR A 6 2.091 -5.527 7.257 1.00 63.04 C ATOM 85 C TYR A 6 2.281 -6.744 8.157 1.00 41.34 C ATOM 86 O TYR A 6 2.712 -6.621 9.304 1.00 3.42 O ATOM 87 CB TYR A 6 3.451 -5.018 6.775 1.00 51.01 C ATOM 88 CG TYR A 6 3.374 -3.715 6.014 1.00 34.53 C ATOM 89 CD1 TYR A 6 2.739 -3.645 4.779 1.00 54.14 C ATOM 90 CD2 TYR A 6 3.934 -2.552 6.528 1.00 40.14 C ATOM 91 CE1 TYR A 6 2.667 -2.456 4.080 1.00 74.34 C ATOM 92 CE2 TYR A 6 3.866 -1.359 5.836 1.00 75.11 C ATOM 93 CZ TYR A 6 3.233 -1.315 4.612 1.00 10.04 C ATOM 94 OH TYR A 6 3.162 -0.129 3.919 1.00 0.24 O ATOM 0 H TYR A 6 1.620 -4.370 8.942 1.00 43.12 H new ATOM 0 HA TYR A 6 1.495 -5.825 6.394 1.00 63.04 H new ATOM 0 HB2 TYR A 6 4.107 -4.888 7.636 1.00 51.01 H new ATOM 0 HB3 TYR A 6 3.908 -5.775 6.138 1.00 51.01 H new ATOM 0 HD1 TYR A 6 2.295 -4.535 4.359 1.00 54.14 H new ATOM 0 HD2 TYR A 6 4.431 -2.582 7.486 1.00 40.14 H new ATOM 0 HE1 TYR A 6 2.170 -2.419 3.122 1.00 74.34 H new ATOM 0 HE2 TYR A 6 4.307 -0.465 6.252 1.00 75.11 H new ATOM 0 HH TYR A 6 4.049 0.101 3.572 1.00 0.24 H new ATOM 103 N TYR A 7 1.957 -7.918 7.628 1.00 44.21 N ATOM 104 CA TYR A 7 2.090 -9.159 8.384 1.00 61.23 C ATOM 105 C TYR A 7 3.398 -9.867 8.043 1.00 64.41 C ATOM 106 O TYR A 7 4.246 -9.322 7.338 1.00 11.03 O ATOM 107 CB TYR A 7 0.907 -10.085 8.096 1.00 2.20 C ATOM 108 CG TYR A 7 0.049 -10.367 9.309 1.00 60.13 C ATOM 109 CD1 TYR A 7 -0.474 -9.329 10.071 1.00 65.14 C ATOM 110 CD2 TYR A 7 -0.238 -11.671 9.693 1.00 54.30 C ATOM 111 CE1 TYR A 7 -1.256 -9.583 11.181 1.00 10.24 C ATOM 112 CE2 TYR A 7 -1.021 -11.934 10.800 1.00 54.25 C ATOM 113 CZ TYR A 7 -1.527 -10.886 11.542 1.00 21.42 C ATOM 114 OH TYR A 7 -2.307 -11.142 12.646 1.00 21.04 O ATOM 0 H TYR A 7 1.601 -8.037 6.680 1.00 44.21 H new ATOM 0 HA TYR A 7 2.098 -8.909 9.445 1.00 61.23 H new ATOM 0 HB2 TYR A 7 0.287 -9.638 7.319 1.00 2.20 H new ATOM 0 HB3 TYR A 7 1.283 -11.028 7.700 1.00 2.20 H new ATOM 0 HD1 TYR A 7 -0.266 -8.307 9.791 1.00 65.14 H new ATOM 0 HD2 TYR A 7 0.158 -12.493 9.116 1.00 54.30 H new ATOM 0 HE1 TYR A 7 -1.653 -8.765 11.763 1.00 10.24 H new ATOM 0 HE2 TYR A 7 -1.236 -12.954 11.083 1.00 54.25 H new ATOM 0 HH TYR A 7 -2.402 -12.110 12.762 1.00 21.04 H new ATOM 123 N ALA A 8 3.552 -11.086 8.550 1.00 72.22 N ATOM 124 CA ALA A 8 4.755 -11.871 8.298 1.00 11.14 C ATOM 125 C ALA A 8 5.074 -11.924 6.807 1.00 15.42 C ATOM 126 O ALA A 8 6.237 -12.012 6.413 1.00 54.34 O ATOM 127 CB ALA A 8 4.593 -13.278 8.855 1.00 74.43 C ATOM 0 H ALA A 8 2.860 -11.551 9.137 1.00 72.22 H new ATOM 0 HA ALA A 8 5.589 -11.385 8.804 1.00 11.14 H new ATOM 0 HB1 ALA A 8 5.498 -13.853 8.660 1.00 74.43 H new ATOM 0 HB2 ALA A 8 4.421 -13.226 9.930 1.00 74.43 H new ATOM 0 HB3 ALA A 8 3.744 -13.764 8.374 1.00 74.43 H new ATOM 133 N THR A 9 4.034 -11.870 5.981 1.00 54.30 N ATOM 134 CA THR A 9 4.202 -11.913 4.535 1.00 72.15 C ATOM 135 C THR A 9 5.065 -10.754 4.047 1.00 2.12 C ATOM 136 O THR A 9 5.955 -10.936 3.216 1.00 54.14 O ATOM 137 CB THR A 9 2.846 -11.869 3.809 1.00 25.13 C ATOM 138 OG1 THR A 9 1.963 -10.958 4.473 1.00 52.02 O ATOM 139 CG2 THR A 9 2.212 -13.252 3.762 1.00 33.23 C ATOM 0 H THR A 9 3.065 -11.796 6.290 1.00 54.30 H new ATOM 0 HA THR A 9 4.698 -12.855 4.303 1.00 72.15 H new ATOM 0 HB THR A 9 3.018 -11.529 2.788 1.00 25.13 H new ATOM 0 HG1 THR A 9 1.103 -10.935 4.003 1.00 52.02 H new ATOM 0 HG21 THR A 9 1.254 -13.196 3.244 1.00 33.23 H new ATOM 0 HG22 THR A 9 2.872 -13.937 3.230 1.00 33.23 H new ATOM 0 HG23 THR A 9 2.054 -13.615 4.778 1.00 33.23 H new ATOM 147 N LEU A 10 4.796 -9.563 4.568 1.00 12.43 N ATOM 148 CA LEU A 10 5.547 -8.373 4.186 1.00 74.13 C ATOM 149 C LEU A 10 6.478 -7.932 5.311 1.00 51.21 C ATOM 150 O LEU A 10 6.964 -6.801 5.321 1.00 54.24 O ATOM 151 CB LEU A 10 4.590 -7.234 3.826 1.00 64.52 C ATOM 152 CG LEU A 10 3.763 -7.430 2.556 1.00 24.13 C ATOM 153 CD1 LEU A 10 4.653 -7.860 1.399 1.00 11.22 C ATOM 154 CD2 LEU A 10 2.660 -8.453 2.790 1.00 12.22 C ATOM 0 H LEU A 10 4.063 -9.395 5.257 1.00 12.43 H new ATOM 0 HA LEU A 10 6.152 -8.621 3.314 1.00 74.13 H new ATOM 0 HB2 LEU A 10 3.906 -7.083 4.661 1.00 64.52 H new ATOM 0 HB3 LEU A 10 5.171 -6.318 3.720 1.00 64.52 H new ATOM 0 HG LEU A 10 3.300 -6.478 2.297 1.00 24.13 H new ATOM 0 HD11 LEU A 10 4.046 -7.995 0.504 1.00 11.22 H new ATOM 0 HD12 LEU A 10 5.406 -7.094 1.215 1.00 11.22 H new ATOM 0 HD13 LEU A 10 5.145 -8.800 1.648 1.00 11.22 H new ATOM 0 HD21 LEU A 10 2.081 -8.580 1.875 1.00 12.22 H new ATOM 0 HD22 LEU A 10 3.103 -9.407 3.074 1.00 12.22 H new ATOM 0 HD23 LEU A 10 2.005 -8.105 3.589 1.00 12.22 H new ATOM 165 N ARG A 11 6.724 -8.834 6.256 1.00 52.03 N ATOM 166 CA ARG A 11 7.598 -8.539 7.385 1.00 74.44 C ATOM 167 C ARG A 11 9.011 -8.212 6.909 1.00 12.11 C ATOM 168 O ARG A 11 9.547 -7.134 7.169 1.00 4.14 O ATOM 169 CB ARG A 11 7.636 -9.724 8.352 1.00 21.44 C ATOM 170 CG ARG A 11 8.965 -9.881 9.071 1.00 72.24 C ATOM 171 CD ARG A 11 8.850 -10.831 10.253 1.00 71.11 C ATOM 172 NE ARG A 11 7.865 -10.373 11.229 1.00 44.24 N ATOM 173 CZ ARG A 11 7.648 -10.978 12.392 1.00 53.54 C ATOM 174 NH1 ARG A 11 8.342 -12.058 12.722 1.00 64.21 N ATOM 175 NH2 ARG A 11 6.734 -10.502 13.228 1.00 73.43 N ATOM 0 H ARG A 11 6.330 -9.775 6.262 1.00 52.03 H new ATOM 0 HA ARG A 11 7.197 -7.668 7.904 1.00 74.44 H new ATOM 0 HB2 ARG A 11 6.844 -9.604 9.092 1.00 21.44 H new ATOM 0 HB3 ARG A 11 7.421 -10.639 7.800 1.00 21.44 H new ATOM 0 HG2 ARG A 11 9.715 -10.255 8.374 1.00 72.24 H new ATOM 0 HG3 ARG A 11 9.310 -8.907 9.418 1.00 72.24 H new ATOM 0 HD2 ARG A 11 8.572 -11.823 9.896 1.00 71.11 H new ATOM 0 HD3 ARG A 11 9.822 -10.927 10.737 1.00 71.11 H new ATOM 0 HE ARG A 11 7.314 -9.544 11.006 1.00 44.24 H new ATOM 0 HH11 ARG A 11 9.045 -12.427 12.082 1.00 64.21 H new ATOM 0 HH12 ARG A 11 8.173 -12.520 13.616 1.00 64.21 H new ATOM 0 HH21 ARG A 11 6.198 -9.671 12.978 1.00 73.43 H new ATOM 0 HH22 ARG A 11 6.568 -10.967 14.121 1.00 73.43 H new ATOM 186 N PRO A 12 9.629 -9.165 6.195 1.00 75.21 N ATOM 187 CA PRO A 12 10.988 -9.001 5.667 1.00 12.12 C ATOM 188 C PRO A 12 11.052 -7.976 4.540 1.00 73.13 C ATOM 189 O PRO A 12 12.136 -7.601 4.091 1.00 45.11 O ATOM 190 CB PRO A 12 11.334 -10.396 5.142 1.00 45.31 C ATOM 191 CG PRO A 12 10.017 -11.023 4.836 1.00 72.43 C ATOM 192 CD PRO A 12 9.051 -10.473 5.847 1.00 54.51 C ATOM 0 HA PRO A 12 11.679 -8.632 6.425 1.00 12.12 H new ATOM 0 HB2 PRO A 12 11.962 -10.340 4.253 1.00 45.31 H new ATOM 0 HB3 PRO A 12 11.884 -10.973 5.885 1.00 45.31 H new ATOM 0 HG2 PRO A 12 9.698 -10.784 3.821 1.00 72.43 H new ATOM 0 HG3 PRO A 12 10.077 -12.109 4.904 1.00 72.43 H new ATOM 0 HD2 PRO A 12 8.049 -10.371 5.431 1.00 54.51 H new ATOM 0 HD3 PRO A 12 8.970 -11.121 6.719 1.00 54.51 H new ATOM 197 N ILE A 13 9.886 -7.526 4.088 1.00 24.32 N ATOM 198 CA ILE A 13 9.811 -6.544 3.014 1.00 33.53 C ATOM 199 C ILE A 13 9.581 -5.142 3.567 1.00 72.40 C ATOM 200 O ILE A 13 9.899 -4.145 2.917 1.00 24.34 O ATOM 201 CB ILE A 13 8.686 -6.882 2.018 1.00 42.31 C ATOM 202 CG1 ILE A 13 8.669 -8.383 1.724 1.00 61.23 C ATOM 203 CG2 ILE A 13 8.859 -6.086 0.733 1.00 1.34 C ATOM 204 CD1 ILE A 13 7.629 -8.788 0.703 1.00 72.41 C ATOM 0 H ILE A 13 8.981 -7.826 4.449 1.00 24.32 H new ATOM 0 HA ILE A 13 10.767 -6.574 2.492 1.00 33.53 H new ATOM 0 HB ILE A 13 7.730 -6.608 2.465 1.00 42.31 H new ATOM 0 HG12 ILE A 13 9.653 -8.686 1.368 1.00 61.23 H new ATOM 0 HG13 ILE A 13 8.485 -8.925 2.652 1.00 61.23 H new ATOM 0 HG21 ILE A 13 8.056 -6.336 0.039 1.00 1.34 H new ATOM 0 HG22 ILE A 13 8.825 -5.020 0.958 1.00 1.34 H new ATOM 0 HG23 ILE A 13 9.820 -6.331 0.280 1.00 1.34 H new ATOM 0 HD11 ILE A 13 7.675 -9.865 0.545 1.00 72.41 H new ATOM 0 HD12 ILE A 13 6.638 -8.516 1.066 1.00 72.41 H new ATOM 0 HD13 ILE A 13 7.824 -8.274 -0.238 1.00 72.41 H new ATOM 215 N THR A 14 9.030 -5.070 4.774 1.00 4.03 N ATOM 216 CA THR A 14 8.758 -3.791 5.416 1.00 11.23 C ATOM 217 C THR A 14 9.781 -3.494 6.506 1.00 41.23 C ATOM 218 O THR A 14 9.630 -2.542 7.272 1.00 1.44 O ATOM 219 CB THR A 14 7.345 -3.760 6.031 1.00 54.33 C ATOM 220 OG1 THR A 14 7.004 -2.420 6.406 1.00 3.31 O ATOM 221 CG2 THR A 14 7.265 -4.668 7.248 1.00 41.40 C ATOM 0 H THR A 14 8.763 -5.884 5.327 1.00 4.03 H new ATOM 0 HA THR A 14 8.826 -3.028 4.641 1.00 11.23 H new ATOM 0 HB THR A 14 6.638 -4.119 5.283 1.00 54.33 H new ATOM 0 HG1 THR A 14 6.029 -2.325 6.430 1.00 3.31 H new ATOM 0 HG21 THR A 14 6.259 -4.630 7.665 1.00 41.40 H new ATOM 0 HG22 THR A 14 7.497 -5.692 6.954 1.00 41.40 H new ATOM 0 HG23 THR A 14 7.982 -4.334 7.999 1.00 41.40 H new ATOM 229 N LYS A 15 10.824 -4.315 6.571 1.00 1.13 N ATOM 230 CA LYS A 15 11.875 -4.140 7.566 1.00 53.41 C ATOM 231 C LYS A 15 11.318 -4.293 8.979 1.00 23.35 C ATOM 232 O LYS A 15 11.729 -3.587 9.900 1.00 61.21 O ATOM 233 CB LYS A 15 12.529 -2.766 7.411 1.00 54.02 C ATOM 234 CG LYS A 15 13.958 -2.711 7.921 1.00 53.33 C ATOM 235 CD LYS A 15 14.636 -1.405 7.544 1.00 14.21 C ATOM 236 CE LYS A 15 16.105 -1.403 7.939 1.00 64.22 C ATOM 237 NZ LYS A 15 16.956 -2.057 6.906 1.00 42.23 N ATOM 0 H LYS A 15 10.964 -5.109 5.946 1.00 1.13 H new ATOM 0 HA LYS A 15 12.626 -4.913 7.404 1.00 53.41 H new ATOM 0 HB2 LYS A 15 12.517 -2.484 6.358 1.00 54.02 H new ATOM 0 HB3 LYS A 15 11.933 -2.027 7.946 1.00 54.02 H new ATOM 0 HG2 LYS A 15 13.963 -2.824 9.005 1.00 53.33 H new ATOM 0 HG3 LYS A 15 14.524 -3.547 7.511 1.00 53.33 H new ATOM 0 HD2 LYS A 15 14.547 -1.245 6.469 1.00 14.21 H new ATOM 0 HD3 LYS A 15 14.126 -0.575 8.033 1.00 14.21 H new ATOM 0 HE2 LYS A 15 16.440 -0.377 8.089 1.00 64.22 H new ATOM 0 HE3 LYS A 15 16.226 -1.920 8.891 1.00 64.22 H new ATOM 0 HZ1 LYS A 15 17.950 -2.036 7.211 1.00 42.23 H new ATOM 0 HZ2 LYS A 15 16.653 -3.044 6.781 1.00 42.23 H new ATOM 0 HZ3 LYS A 15 16.860 -1.548 6.004 1.00 42.23 H new ATOM 247 N LYS A 16 10.381 -5.221 9.142 1.00 12.41 N ATOM 248 CA LYS A 16 9.769 -5.469 10.443 1.00 23.34 C ATOM 249 C LYS A 16 9.529 -4.162 11.190 1.00 53.22 C ATOM 250 O LYS A 16 9.769 -4.070 12.395 1.00 24.33 O ATOM 251 CB LYS A 16 10.657 -6.393 11.280 1.00 32.53 C ATOM 252 CG LYS A 16 12.015 -5.796 11.609 1.00 33.15 C ATOM 253 CD LYS A 16 12.675 -6.518 12.771 1.00 5.21 C ATOM 254 CE LYS A 16 13.166 -7.899 12.362 1.00 71.51 C ATOM 255 NZ LYS A 16 13.270 -8.819 13.527 1.00 44.41 N ATOM 0 H LYS A 16 10.029 -5.814 8.390 1.00 12.41 H new ATOM 0 HA LYS A 16 8.807 -5.953 10.277 1.00 23.34 H new ATOM 0 HB2 LYS A 16 10.141 -6.636 12.209 1.00 32.53 H new ATOM 0 HB3 LYS A 16 10.802 -7.330 10.742 1.00 32.53 H new ATOM 0 HG2 LYS A 16 12.660 -5.851 10.732 1.00 33.15 H new ATOM 0 HG3 LYS A 16 11.900 -4.740 11.854 1.00 33.15 H new ATOM 0 HD2 LYS A 16 13.513 -5.927 13.139 1.00 5.21 H new ATOM 0 HD3 LYS A 16 11.965 -6.612 13.593 1.00 5.21 H new ATOM 0 HE2 LYS A 16 12.484 -8.323 11.625 1.00 71.51 H new ATOM 0 HE3 LYS A 16 14.140 -7.810 11.882 1.00 71.51 H new ATOM 0 HZ1 LYS A 16 13.608 -9.749 13.206 1.00 44.41 H new ATOM 0 HZ2 LYS A 16 13.940 -8.428 14.220 1.00 44.41 H new ATOM 0 HZ3 LYS A 16 12.335 -8.924 13.971 1.00 44.41 H new ATOM 265 N LYS A 17 9.055 -3.151 10.470 1.00 63.32 N ATOM 266 CA LYS A 17 8.780 -1.849 11.065 1.00 73.20 C ATOM 267 C LYS A 17 7.594 -1.177 10.380 1.00 74.23 C ATOM 268 O LYS A 17 7.493 -1.176 9.153 1.00 52.12 O ATOM 269 CB LYS A 17 10.015 -0.950 10.966 1.00 12.31 C ATOM 270 CG LYS A 17 9.853 0.384 11.674 1.00 73.14 C ATOM 271 CD LYS A 17 11.045 1.294 11.428 1.00 61.14 C ATOM 272 CE LYS A 17 10.785 2.704 11.936 1.00 2.32 C ATOM 273 NZ LYS A 17 10.435 2.716 13.384 1.00 60.13 N ATOM 0 H LYS A 17 8.853 -3.209 9.472 1.00 63.32 H new ATOM 0 HA LYS A 17 8.532 -2.002 12.115 1.00 73.20 H new ATOM 0 HB2 LYS A 17 10.871 -1.475 11.389 1.00 12.31 H new ATOM 0 HB3 LYS A 17 10.239 -0.769 9.915 1.00 12.31 H new ATOM 0 HG2 LYS A 17 8.943 0.873 11.327 1.00 73.14 H new ATOM 0 HG3 LYS A 17 9.736 0.217 12.745 1.00 73.14 H new ATOM 0 HD2 LYS A 17 11.925 0.884 11.924 1.00 61.14 H new ATOM 0 HD3 LYS A 17 11.266 1.326 10.361 1.00 61.14 H new ATOM 0 HE2 LYS A 17 11.670 3.318 11.771 1.00 2.32 H new ATOM 0 HE3 LYS A 17 9.974 3.153 11.363 1.00 2.32 H new ATOM 0 HZ1 LYS A 17 10.415 3.697 13.728 1.00 60.13 H new ATOM 0 HZ2 LYS A 17 9.499 2.283 13.519 1.00 60.13 H new ATOM 0 HZ3 LYS A 17 11.146 2.177 13.918 1.00 60.13 H new ATOM 283 N GLU A 18 6.699 -0.606 11.181 1.00 72.20 N ATOM 284 CA GLU A 18 5.521 0.069 10.650 1.00 72.33 C ATOM 285 C GLU A 18 5.490 1.531 11.085 1.00 13.31 C ATOM 286 O GLU A 18 5.884 1.865 12.203 1.00 31.25 O ATOM 287 CB GLU A 18 4.247 -0.640 11.115 1.00 32.44 C ATOM 288 CG GLU A 18 2.974 0.130 10.803 1.00 63.13 C ATOM 289 CD GLU A 18 1.724 -0.609 11.242 1.00 74.12 C ATOM 290 OE1 GLU A 18 1.768 -1.855 11.315 1.00 2.24 O ATOM 291 OE2 GLU A 18 0.705 0.059 11.511 1.00 24.32 O ATOM 0 H GLU A 18 6.768 -0.598 12.199 1.00 72.20 H new ATOM 0 HA GLU A 18 5.572 0.033 9.562 1.00 72.33 H new ATOM 0 HB2 GLU A 18 4.194 -1.621 10.642 1.00 32.44 H new ATOM 0 HB3 GLU A 18 4.306 -0.807 12.190 1.00 32.44 H new ATOM 0 HG2 GLU A 18 3.010 1.101 11.297 1.00 63.13 H new ATOM 0 HG3 GLU A 18 2.922 0.320 9.731 1.00 63.13 H new ATOM 296 N GLU A 19 5.021 2.398 10.193 1.00 41.10 N ATOM 297 CA GLU A 19 4.940 3.825 10.484 1.00 40.43 C ATOM 298 C GLU A 19 3.881 4.498 9.617 1.00 11.03 C ATOM 299 O GLU A 19 3.448 3.946 8.604 1.00 35.13 O ATOM 300 CB GLU A 19 6.298 4.492 10.260 1.00 61.22 C ATOM 301 CG GLU A 19 6.517 5.730 11.113 1.00 1.20 C ATOM 302 CD GLU A 19 7.914 6.301 10.964 1.00 13.01 C ATOM 303 OE1 GLU A 19 8.462 6.243 9.843 1.00 14.41 O ATOM 304 OE2 GLU A 19 8.459 6.807 11.968 1.00 4.35 O ATOM 0 H GLU A 19 4.692 2.138 9.263 1.00 41.10 H new ATOM 0 HA GLU A 19 4.655 3.940 11.530 1.00 40.43 H new ATOM 0 HB2 GLU A 19 7.087 3.771 10.473 1.00 61.22 H new ATOM 0 HB3 GLU A 19 6.390 4.765 9.209 1.00 61.22 H new ATOM 0 HG2 GLU A 19 5.786 6.490 10.837 1.00 1.20 H new ATOM 0 HG3 GLU A 19 6.340 5.482 12.159 1.00 1.20 H new ATOM 309 N THR A 20 3.467 5.696 10.020 1.00 4.01 N ATOM 310 CA THR A 20 2.458 6.445 9.282 1.00 62.05 C ATOM 311 C THR A 20 3.097 7.532 8.426 1.00 0.50 C ATOM 312 O THR A 20 4.219 7.964 8.690 1.00 72.03 O ATOM 313 CB THR A 20 1.432 7.091 10.231 1.00 22.14 C ATOM 314 OG1 THR A 20 2.107 7.837 11.248 1.00 52.34 O ATOM 315 CG2 THR A 20 0.548 6.033 10.874 1.00 42.31 C ATOM 0 H THR A 20 3.816 6.168 10.854 1.00 4.01 H new ATOM 0 HA THR A 20 1.945 5.732 8.636 1.00 62.05 H new ATOM 0 HB THR A 20 0.802 7.762 9.646 1.00 22.14 H new ATOM 0 HG1 THR A 20 1.903 8.790 11.144 1.00 52.34 H new ATOM 0 HG21 THR A 20 -0.169 6.513 11.540 1.00 42.31 H new ATOM 0 HG22 THR A 20 0.012 5.486 10.098 1.00 42.31 H new ATOM 0 HG23 THR A 20 1.166 5.340 11.445 1.00 42.31 H new ATOM 323 N PHE A 21 2.376 7.972 7.400 1.00 12.51 N ATOM 324 CA PHE A 21 2.874 9.010 6.506 1.00 21.32 C ATOM 325 C PHE A 21 1.838 10.116 6.327 1.00 41.02 C ATOM 326 O PHE A 21 0.635 9.859 6.318 1.00 30.42 O ATOM 327 CB PHE A 21 3.236 8.410 5.145 1.00 13.14 C ATOM 328 CG PHE A 21 3.813 9.409 4.183 1.00 44.42 C ATOM 329 CD1 PHE A 21 5.081 9.930 4.385 1.00 75.54 C ATOM 330 CD2 PHE A 21 3.088 9.827 3.079 1.00 45.44 C ATOM 331 CE1 PHE A 21 5.615 10.850 3.502 1.00 13.13 C ATOM 332 CE2 PHE A 21 3.617 10.746 2.193 1.00 73.51 C ATOM 333 CZ PHE A 21 4.882 11.258 2.404 1.00 60.12 C ATOM 0 H PHE A 21 1.445 7.626 7.167 1.00 12.51 H new ATOM 0 HA PHE A 21 3.768 9.443 6.954 1.00 21.32 H new ATOM 0 HB2 PHE A 21 3.954 7.603 5.292 1.00 13.14 H new ATOM 0 HB3 PHE A 21 2.344 7.966 4.704 1.00 13.14 H new ATOM 0 HD1 PHE A 21 5.658 9.614 5.241 1.00 75.54 H new ATOM 0 HD2 PHE A 21 2.098 9.430 2.909 1.00 45.44 H new ATOM 0 HE1 PHE A 21 6.604 11.249 3.670 1.00 13.13 H new ATOM 0 HE2 PHE A 21 3.041 11.064 1.336 1.00 73.51 H new ATOM 0 HZ PHE A 21 5.298 11.976 1.712 1.00 60.12 H new ATOM 342 N ASN A 22 2.316 11.349 6.186 1.00 2.13 N ATOM 343 CA ASN A 22 1.432 12.496 6.008 1.00 44.25 C ATOM 344 C ASN A 22 1.860 13.332 4.807 1.00 62.22 C ATOM 345 O ASN A 22 2.989 13.220 4.330 1.00 50.11 O ATOM 346 CB ASN A 22 1.426 13.360 7.270 1.00 13.41 C ATOM 347 CG ASN A 22 2.722 14.127 7.452 1.00 22.32 C ATOM 348 OD1 ASN A 22 2.910 15.196 6.872 1.00 13.53 O ATOM 349 ND2 ASN A 22 3.623 13.581 8.259 1.00 41.13 N ATOM 0 H ASN A 22 3.310 11.579 6.192 1.00 2.13 H new ATOM 0 HA ASN A 22 0.424 12.123 5.826 1.00 44.25 H new ATOM 0 HB2 ASN A 22 0.595 14.063 7.222 1.00 13.41 H new ATOM 0 HB3 ASN A 22 1.257 12.726 8.140 1.00 13.41 H new ATOM 0 HD21 ASN A 22 4.515 14.050 8.419 1.00 41.13 H new ATOM 0 HD22 ASN A 22 3.424 12.693 8.719 1.00 41.13 H new ATOM 355 N GLY A 23 0.950 14.171 4.322 1.00 1.11 N ATOM 356 CA GLY A 23 1.252 15.014 3.180 1.00 32.11 C ATOM 357 C GLY A 23 0.209 14.905 2.085 1.00 42.24 C ATOM 358 O GLY A 23 -0.547 15.845 1.843 1.00 74.12 O ATOM 0 H GLY A 23 0.009 14.282 4.700 1.00 1.11 H new ATOM 0 HA2 GLY A 23 1.323 16.051 3.507 1.00 32.11 H new ATOM 0 HA3 GLY A 23 2.227 14.739 2.777 1.00 32.11 H new ATOM 362 N ILE A 24 0.170 13.753 1.422 1.00 1.23 N ATOM 363 CA ILE A 24 -0.788 13.525 0.347 1.00 42.14 C ATOM 364 C ILE A 24 -2.004 12.752 0.848 1.00 54.24 C ATOM 365 O ILE A 24 -1.897 11.929 1.757 1.00 72.42 O ATOM 366 CB ILE A 24 -0.149 12.751 -0.821 1.00 63.35 C ATOM 367 CG1 ILE A 24 -1.098 12.719 -2.020 1.00 22.00 C ATOM 368 CG2 ILE A 24 0.213 11.339 -0.386 1.00 51.22 C ATOM 369 CD1 ILE A 24 -0.412 12.990 -3.341 1.00 15.22 C ATOM 0 H ILE A 24 0.790 12.965 1.610 1.00 1.23 H new ATOM 0 HA ILE A 24 -1.104 14.506 -0.007 1.00 42.14 H new ATOM 0 HB ILE A 24 0.766 13.263 -1.120 1.00 63.35 H new ATOM 0 HG12 ILE A 24 -1.582 11.743 -2.064 1.00 22.00 H new ATOM 0 HG13 ILE A 24 -1.885 13.458 -1.870 1.00 22.00 H new ATOM 0 HG21 ILE A 24 0.664 10.805 -1.223 1.00 51.22 H new ATOM 0 HG22 ILE A 24 0.922 11.383 0.440 1.00 51.22 H new ATOM 0 HG23 ILE A 24 -0.687 10.816 -0.064 1.00 51.22 H new ATOM 0 HD11 ILE A 24 -1.145 12.952 -4.146 1.00 15.22 H new ATOM 0 HD12 ILE A 24 0.048 13.978 -3.316 1.00 15.22 H new ATOM 0 HD13 ILE A 24 0.356 12.236 -3.513 1.00 15.22 H new ATOM 380 N SER A 25 -3.158 13.024 0.250 1.00 74.20 N ATOM 381 CA SER A 25 -4.395 12.356 0.637 1.00 22.54 C ATOM 382 C SER A 25 -4.955 11.536 -0.521 1.00 21.41 C ATOM 383 O SER A 25 -6.124 11.670 -0.887 1.00 74.11 O ATOM 384 CB SER A 25 -5.432 13.383 1.096 1.00 53.23 C ATOM 385 OG SER A 25 -5.451 14.509 0.237 1.00 21.52 O ATOM 0 H SER A 25 -3.263 13.702 -0.505 1.00 74.20 H new ATOM 0 HA SER A 25 -4.171 11.681 1.463 1.00 22.54 H new ATOM 0 HB2 SER A 25 -6.420 12.922 1.118 1.00 53.23 H new ATOM 0 HB3 SER A 25 -5.206 13.702 2.114 1.00 53.23 H new ATOM 0 HG SER A 25 -6.123 15.149 0.551 1.00 21.52 H new ATOM 390 N LYS A 26 -4.113 10.685 -1.098 1.00 52.55 N ATOM 391 CA LYS A 26 -4.520 9.840 -2.213 1.00 21.13 C ATOM 392 C LYS A 26 -3.730 8.536 -2.227 1.00 54.52 C ATOM 393 O LYS A 26 -2.601 8.479 -1.737 1.00 0.41 O ATOM 394 CB LYS A 26 -4.325 10.580 -3.538 1.00 15.44 C ATOM 395 CG LYS A 26 -5.208 11.807 -3.685 1.00 12.22 C ATOM 396 CD LYS A 26 -5.462 12.140 -5.146 1.00 35.44 C ATOM 397 CE LYS A 26 -6.629 11.342 -5.705 1.00 64.31 C ATOM 398 NZ LYS A 26 -7.938 11.976 -5.386 1.00 13.03 N ATOM 0 H LYS A 26 -3.142 10.563 -0.810 1.00 52.55 H new ATOM 0 HA LYS A 26 -5.576 9.602 -2.088 1.00 21.13 H new ATOM 0 HB2 LYS A 26 -3.281 10.881 -3.626 1.00 15.44 H new ATOM 0 HB3 LYS A 26 -4.530 9.895 -4.361 1.00 15.44 H new ATOM 0 HG2 LYS A 26 -6.158 11.635 -3.180 1.00 12.22 H new ATOM 0 HG3 LYS A 26 -4.735 12.658 -3.194 1.00 12.22 H new ATOM 0 HD2 LYS A 26 -5.667 13.206 -5.247 1.00 35.44 H new ATOM 0 HD3 LYS A 26 -4.565 11.932 -5.729 1.00 35.44 H new ATOM 0 HE2 LYS A 26 -6.523 11.252 -6.786 1.00 64.31 H new ATOM 0 HE3 LYS A 26 -6.606 10.331 -5.298 1.00 64.31 H new ATOM 0 HZ1 LYS A 26 -8.694 11.265 -5.454 1.00 13.03 H new ATOM 0 HZ2 LYS A 26 -7.911 12.361 -4.420 1.00 13.03 H new ATOM 0 HZ3 LYS A 26 -8.124 12.746 -6.060 1.00 13.03 H new ATOM 408 N ILE A 27 -4.328 7.492 -2.789 1.00 20.44 N ATOM 409 CA ILE A 27 -3.678 6.190 -2.868 1.00 32.14 C ATOM 410 C ILE A 27 -2.549 6.200 -3.893 1.00 75.01 C ATOM 411 O ILE A 27 -1.620 5.396 -3.817 1.00 22.20 O ATOM 412 CB ILE A 27 -4.681 5.081 -3.238 1.00 42.14 C ATOM 413 CG1 ILE A 27 -5.744 4.941 -2.147 1.00 43.24 C ATOM 414 CG2 ILE A 27 -3.956 3.761 -3.453 1.00 53.24 C ATOM 415 CD1 ILE A 27 -5.191 4.456 -0.824 1.00 31.35 C ATOM 0 H ILE A 27 -5.262 7.522 -3.197 1.00 20.44 H new ATOM 0 HA ILE A 27 -3.267 5.983 -1.880 1.00 32.14 H new ATOM 0 HB ILE A 27 -5.177 5.355 -4.169 1.00 42.14 H new ATOM 0 HG12 ILE A 27 -6.229 5.906 -1.997 1.00 43.24 H new ATOM 0 HG13 ILE A 27 -6.513 4.247 -2.487 1.00 43.24 H new ATOM 0 HG21 ILE A 27 -4.678 2.987 -3.714 1.00 53.24 H new ATOM 0 HG22 ILE A 27 -3.233 3.870 -4.262 1.00 53.24 H new ATOM 0 HG23 ILE A 27 -3.436 3.478 -2.538 1.00 53.24 H new ATOM 0 HD11 ILE A 27 -6.000 4.380 -0.097 1.00 31.35 H new ATOM 0 HD12 ILE A 27 -4.731 3.477 -0.959 1.00 31.35 H new ATOM 0 HD13 ILE A 27 -4.443 5.161 -0.462 1.00 31.35 H new ATOM 426 N SER A 28 -2.634 7.119 -4.851 1.00 64.05 N ATOM 427 CA SER A 28 -1.620 7.233 -5.892 1.00 22.24 C ATOM 428 C SER A 28 -0.230 7.389 -5.283 1.00 32.12 C ATOM 429 O SER A 28 0.687 6.634 -5.603 1.00 73.14 O ATOM 430 CB SER A 28 -1.926 8.423 -6.803 1.00 11.34 C ATOM 431 OG SER A 28 -0.734 9.028 -7.272 1.00 51.25 O ATOM 0 H SER A 28 -3.394 7.795 -4.927 1.00 64.05 H new ATOM 0 HA SER A 28 -1.638 6.317 -6.483 1.00 22.24 H new ATOM 0 HB2 SER A 28 -2.526 8.091 -7.650 1.00 11.34 H new ATOM 0 HB3 SER A 28 -2.520 9.157 -6.259 1.00 11.34 H new ATOM 0 HG SER A 28 -0.958 9.785 -7.853 1.00 51.25 H new ATOM 436 N GLU A 29 -0.084 8.375 -4.403 1.00 11.13 N ATOM 437 CA GLU A 29 1.194 8.632 -3.749 1.00 64.23 C ATOM 438 C GLU A 29 1.477 7.583 -2.677 1.00 12.01 C ATOM 439 O GLU A 29 2.632 7.251 -2.405 1.00 32.33 O ATOM 440 CB GLU A 29 1.202 10.029 -3.127 1.00 51.33 C ATOM 441 CG GLU A 29 2.065 11.026 -3.881 1.00 12.51 C ATOM 442 CD GLU A 29 3.482 10.530 -4.093 1.00 44.54 C ATOM 443 OE1 GLU A 29 3.939 9.681 -3.298 1.00 32.21 O ATOM 444 OE2 GLU A 29 4.134 10.989 -5.054 1.00 13.35 O ATOM 0 H GLU A 29 -0.834 9.008 -4.127 1.00 11.13 H new ATOM 0 HA GLU A 29 1.978 8.575 -4.504 1.00 64.23 H new ATOM 0 HB2 GLU A 29 0.180 10.405 -3.085 1.00 51.33 H new ATOM 0 HB3 GLU A 29 1.558 9.958 -2.099 1.00 51.33 H new ATOM 0 HG2 GLU A 29 1.609 11.236 -4.849 1.00 12.51 H new ATOM 0 HG3 GLU A 29 2.092 11.966 -3.330 1.00 12.51 H new ATOM 449 N LEU A 30 0.414 7.065 -2.071 1.00 43.35 N ATOM 450 CA LEU A 30 0.546 6.053 -1.027 1.00 21.20 C ATOM 451 C LEU A 30 1.186 4.783 -1.578 1.00 25.21 C ATOM 452 O LEU A 30 2.170 4.282 -1.032 1.00 1.21 O ATOM 453 CB LEU A 30 -0.823 5.729 -0.426 1.00 34.45 C ATOM 454 CG LEU A 30 -0.815 5.155 0.991 1.00 22.44 C ATOM 455 CD1 LEU A 30 -2.237 4.974 1.500 1.00 41.02 C ATOM 456 CD2 LEU A 30 -0.062 3.834 1.026 1.00 64.33 C ATOM 0 H LEU A 30 -0.548 7.328 -2.284 1.00 43.35 H new ATOM 0 HA LEU A 30 1.192 6.454 -0.246 1.00 21.20 H new ATOM 0 HB2 LEU A 30 -1.421 6.640 -0.424 1.00 34.45 H new ATOM 0 HB3 LEU A 30 -1.326 5.018 -1.082 1.00 34.45 H new ATOM 0 HG LEU A 30 -0.303 5.860 1.646 1.00 22.44 H new ATOM 0 HD11 LEU A 30 -2.213 4.565 2.510 1.00 41.02 H new ATOM 0 HD12 LEU A 30 -2.745 5.938 1.512 1.00 41.02 H new ATOM 0 HD13 LEU A 30 -2.774 4.289 0.844 1.00 41.02 H new ATOM 0 HD21 LEU A 30 -0.066 3.440 2.042 1.00 64.33 H new ATOM 0 HD22 LEU A 30 -0.546 3.121 0.358 1.00 64.33 H new ATOM 0 HD23 LEU A 30 0.967 3.993 0.703 1.00 64.33 H new ATOM 467 N LEU A 31 0.622 4.265 -2.664 1.00 34.25 N ATOM 468 CA LEU A 31 1.138 3.055 -3.292 1.00 4.22 C ATOM 469 C LEU A 31 2.468 3.325 -3.988 1.00 21.51 C ATOM 470 O LEU A 31 3.370 2.489 -3.970 1.00 23.22 O ATOM 471 CB LEU A 31 0.125 2.506 -4.298 1.00 20.52 C ATOM 472 CG LEU A 31 -0.820 1.422 -3.778 1.00 74.31 C ATOM 473 CD1 LEU A 31 -1.796 0.997 -4.865 1.00 55.14 C ATOM 474 CD2 LEU A 31 -0.029 0.225 -3.271 1.00 20.40 C ATOM 0 H LEU A 31 -0.194 4.665 -3.128 1.00 34.25 H new ATOM 0 HA LEU A 31 1.303 2.313 -2.510 1.00 4.22 H new ATOM 0 HB2 LEU A 31 -0.476 3.337 -4.668 1.00 20.52 H new ATOM 0 HB3 LEU A 31 0.672 2.104 -5.151 1.00 20.52 H new ATOM 0 HG LEU A 31 -1.392 1.834 -2.947 1.00 74.31 H new ATOM 0 HD11 LEU A 31 -2.460 0.225 -4.476 1.00 55.14 H new ATOM 0 HD12 LEU A 31 -2.386 1.857 -5.181 1.00 55.14 H new ATOM 0 HD13 LEU A 31 -1.242 0.603 -5.717 1.00 55.14 H new ATOM 0 HD21 LEU A 31 -0.717 -0.537 -2.905 1.00 20.40 H new ATOM 0 HD22 LEU A 31 0.569 -0.187 -4.084 1.00 20.40 H new ATOM 0 HD23 LEU A 31 0.628 0.540 -2.461 1.00 20.40 H new ATOM 485 N GLU A 32 2.582 4.501 -4.598 1.00 25.43 N ATOM 486 CA GLU A 32 3.802 4.883 -5.299 1.00 42.33 C ATOM 487 C GLU A 32 4.973 4.998 -4.327 1.00 62.25 C ATOM 488 O GLU A 32 6.042 4.432 -4.558 1.00 42.05 O ATOM 489 CB GLU A 32 3.602 6.209 -6.033 1.00 15.10 C ATOM 490 CG GLU A 32 4.748 6.570 -6.963 1.00 71.13 C ATOM 491 CD GLU A 32 4.714 8.023 -7.396 1.00 25.12 C ATOM 492 OE1 GLU A 32 5.082 8.894 -6.580 1.00 3.33 O ATOM 493 OE2 GLU A 32 4.319 8.289 -8.550 1.00 51.13 O ATOM 0 H GLU A 32 1.844 5.205 -4.621 1.00 25.43 H new ATOM 0 HA GLU A 32 4.031 4.105 -6.027 1.00 42.33 H new ATOM 0 HB2 GLU A 32 2.679 6.159 -6.610 1.00 15.10 H new ATOM 0 HB3 GLU A 32 3.476 7.005 -5.299 1.00 15.10 H new ATOM 0 HG2 GLU A 32 5.695 6.366 -6.463 1.00 71.13 H new ATOM 0 HG3 GLU A 32 4.710 5.931 -7.845 1.00 71.13 H new ATOM 498 N ARG A 33 4.764 5.734 -3.242 1.00 14.32 N ATOM 499 CA ARG A 33 5.802 5.927 -2.236 1.00 42.24 C ATOM 500 C ARG A 33 6.232 4.591 -1.637 1.00 3.54 C ATOM 501 O ARG A 33 7.422 4.282 -1.569 1.00 21.42 O ATOM 502 CB ARG A 33 5.304 6.858 -1.129 1.00 33.32 C ATOM 503 CG ARG A 33 6.383 7.252 -0.134 1.00 13.23 C ATOM 504 CD ARG A 33 7.146 8.483 -0.597 1.00 63.42 C ATOM 505 NE ARG A 33 6.268 9.636 -0.778 1.00 1.22 N ATOM 506 CZ ARG A 33 6.708 10.866 -1.014 1.00 52.43 C ATOM 507 NH1 ARG A 33 8.010 11.103 -1.097 1.00 54.34 N ATOM 508 NH2 ARG A 33 5.846 11.864 -1.167 1.00 41.14 N ATOM 0 H ARG A 33 3.884 6.207 -3.036 1.00 14.32 H new ATOM 0 HA ARG A 33 6.664 6.383 -2.723 1.00 42.24 H new ATOM 0 HB2 ARG A 33 4.893 7.760 -1.582 1.00 33.32 H new ATOM 0 HB3 ARG A 33 4.489 6.370 -0.594 1.00 33.32 H new ATOM 0 HG2 ARG A 33 5.929 7.448 0.838 1.00 13.23 H new ATOM 0 HG3 ARG A 33 7.077 6.422 -0.000 1.00 13.23 H new ATOM 0 HD2 ARG A 33 7.918 8.727 0.133 1.00 63.42 H new ATOM 0 HD3 ARG A 33 7.653 8.263 -1.536 1.00 63.42 H new ATOM 0 HE ARG A 33 5.260 9.488 -0.720 1.00 1.22 H new ATOM 0 HH11 ARG A 33 8.676 10.339 -0.979 1.00 54.34 H new ATOM 0 HH12 ARG A 33 8.346 12.049 -1.278 1.00 54.34 H new ATOM 0 HH21 ARG A 33 4.844 11.686 -1.103 1.00 41.14 H new ATOM 0 HH22 ARG A 33 6.186 12.808 -1.348 1.00 41.14 H new ATOM 519 N LEU A 34 5.255 3.802 -1.201 1.00 34.44 N ATOM 520 CA LEU A 34 5.531 2.499 -0.606 1.00 13.44 C ATOM 521 C LEU A 34 6.150 1.554 -1.630 1.00 54.23 C ATOM 522 O LEU A 34 6.954 0.687 -1.285 1.00 53.41 O ATOM 523 CB LEU A 34 4.245 1.890 -0.045 1.00 4.14 C ATOM 524 CG LEU A 34 3.634 2.603 1.161 1.00 13.50 C ATOM 525 CD1 LEU A 34 2.407 1.855 1.660 1.00 72.01 C ATOM 526 CD2 LEU A 34 4.663 2.745 2.274 1.00 63.22 C ATOM 0 H LEU A 34 4.265 4.042 -1.249 1.00 34.44 H new ATOM 0 HA LEU A 34 6.243 2.641 0.207 1.00 13.44 H new ATOM 0 HB2 LEU A 34 3.501 1.865 -0.842 1.00 4.14 H new ATOM 0 HB3 LEU A 34 4.448 0.856 0.234 1.00 4.14 H new ATOM 0 HG LEU A 34 3.324 3.600 0.850 1.00 13.50 H new ATOM 0 HD11 LEU A 34 1.986 2.378 2.519 1.00 72.01 H new ATOM 0 HD12 LEU A 34 1.663 1.805 0.865 1.00 72.01 H new ATOM 0 HD13 LEU A 34 2.691 0.845 1.954 1.00 72.01 H new ATOM 0 HD21 LEU A 34 4.211 3.255 3.125 1.00 63.22 H new ATOM 0 HD22 LEU A 34 5.004 1.757 2.583 1.00 63.22 H new ATOM 0 HD23 LEU A 34 5.512 3.325 1.913 1.00 63.22 H new ATOM 537 N LYS A 35 5.774 1.728 -2.892 1.00 22.03 N ATOM 538 CA LYS A 35 6.295 0.893 -3.969 1.00 53.32 C ATOM 539 C LYS A 35 7.809 1.038 -4.085 1.00 44.41 C ATOM 540 O LYS A 35 8.536 0.044 -4.127 1.00 54.03 O ATOM 541 CB LYS A 35 5.632 1.265 -5.296 1.00 73.43 C ATOM 542 CG LYS A 35 6.299 0.633 -6.507 1.00 41.21 C ATOM 543 CD LYS A 35 5.315 0.447 -7.650 1.00 60.31 C ATOM 544 CE LYS A 35 5.178 1.715 -8.478 1.00 11.23 C ATOM 545 NZ LYS A 35 4.228 1.536 -9.611 1.00 33.43 N ATOM 0 H LYS A 35 5.110 2.440 -3.195 1.00 22.03 H new ATOM 0 HA LYS A 35 6.065 -0.146 -3.734 1.00 53.32 H new ATOM 0 HB2 LYS A 35 4.586 0.961 -5.268 1.00 73.43 H new ATOM 0 HB3 LYS A 35 5.646 2.349 -5.408 1.00 73.43 H new ATOM 0 HG2 LYS A 35 7.127 1.261 -6.837 1.00 41.21 H new ATOM 0 HG3 LYS A 35 6.722 -0.332 -6.229 1.00 41.21 H new ATOM 0 HD2 LYS A 35 5.647 -0.372 -8.288 1.00 60.31 H new ATOM 0 HD3 LYS A 35 4.341 0.165 -7.251 1.00 60.31 H new ATOM 0 HE2 LYS A 35 4.834 2.530 -7.841 1.00 11.23 H new ATOM 0 HE3 LYS A 35 6.155 2.004 -8.865 1.00 11.23 H new ATOM 0 HZ1 LYS A 35 4.162 2.422 -10.152 1.00 33.43 H new ATOM 0 HZ2 LYS A 35 4.569 0.775 -10.233 1.00 33.43 H new ATOM 0 HZ3 LYS A 35 3.289 1.285 -9.241 1.00 33.43 H new ATOM 555 N VAL A 36 8.278 2.280 -4.135 1.00 62.42 N ATOM 556 CA VAL A 36 9.706 2.554 -4.243 1.00 22.52 C ATOM 557 C VAL A 36 10.409 2.345 -2.908 1.00 11.50 C ATOM 558 O VAL A 36 11.548 1.880 -2.861 1.00 14.55 O ATOM 559 CB VAL A 36 9.966 3.993 -4.729 1.00 52.20 C ATOM 560 CG1 VAL A 36 9.368 5.000 -3.757 1.00 63.24 C ATOM 561 CG2 VAL A 36 11.458 4.234 -4.907 1.00 2.22 C ATOM 0 H VAL A 36 7.690 3.113 -4.102 1.00 62.42 H new ATOM 0 HA VAL A 36 10.108 1.853 -4.974 1.00 22.52 H new ATOM 0 HB VAL A 36 9.482 4.125 -5.697 1.00 52.20 H new ATOM 0 HG11 VAL A 36 9.561 6.011 -4.116 1.00 63.24 H new ATOM 0 HG12 VAL A 36 8.292 4.840 -3.684 1.00 63.24 H new ATOM 0 HG13 VAL A 36 9.822 4.871 -2.774 1.00 63.24 H new ATOM 0 HG21 VAL A 36 11.623 5.255 -5.251 1.00 2.22 H new ATOM 0 HG22 VAL A 36 11.967 4.085 -3.955 1.00 2.22 H new ATOM 0 HG23 VAL A 36 11.854 3.535 -5.643 1.00 2.22 H new ATOM 571 N GLU A 37 9.722 2.691 -1.823 1.00 23.43 N ATOM 572 CA GLU A 37 10.282 2.541 -0.485 1.00 44.33 C ATOM 573 C GLU A 37 10.658 1.086 -0.213 1.00 54.23 C ATOM 574 O GLU A 37 11.774 0.792 0.215 1.00 71.05 O ATOM 575 CB GLU A 37 9.283 3.026 0.567 1.00 71.01 C ATOM 576 CG GLU A 37 9.773 2.857 1.996 1.00 61.51 C ATOM 577 CD GLU A 37 10.978 3.723 2.305 1.00 14.31 C ATOM 578 OE1 GLU A 37 10.783 4.905 2.660 1.00 64.32 O ATOM 579 OE2 GLU A 37 12.116 3.221 2.193 1.00 53.33 O ATOM 0 H GLU A 37 8.778 3.077 -1.845 1.00 23.43 H new ATOM 0 HA GLU A 37 11.185 3.149 -0.426 1.00 44.33 H new ATOM 0 HB2 GLU A 37 9.064 4.079 0.389 1.00 71.01 H new ATOM 0 HB3 GLU A 37 8.347 2.480 0.446 1.00 71.01 H new ATOM 0 HG2 GLU A 37 8.966 3.105 2.685 1.00 61.51 H new ATOM 0 HG3 GLU A 37 10.028 1.811 2.167 1.00 61.51 H new ATOM 584 N TYR A 38 9.718 0.182 -0.463 1.00 64.34 N ATOM 585 CA TYR A 38 9.949 -1.241 -0.243 1.00 50.25 C ATOM 586 C TYR A 38 10.636 -1.875 -1.449 1.00 2.22 C ATOM 587 O TYR A 38 11.487 -2.751 -1.303 1.00 75.23 O ATOM 588 CB TYR A 38 8.626 -1.956 0.039 1.00 31.03 C ATOM 589 CG TYR A 38 7.844 -1.352 1.183 1.00 22.21 C ATOM 590 CD1 TYR A 38 8.446 -1.109 2.411 1.00 32.11 C ATOM 591 CD2 TYR A 38 6.501 -1.023 1.035 1.00 61.30 C ATOM 592 CE1 TYR A 38 7.734 -0.558 3.459 1.00 4.32 C ATOM 593 CE2 TYR A 38 5.783 -0.470 2.078 1.00 25.44 C ATOM 594 CZ TYR A 38 6.403 -0.240 3.287 1.00 44.51 C ATOM 595 OH TYR A 38 5.691 0.310 4.329 1.00 72.32 O ATOM 0 H TYR A 38 8.789 0.409 -0.818 1.00 64.34 H new ATOM 0 HA TYR A 38 10.604 -1.347 0.622 1.00 50.25 H new ATOM 0 HB2 TYR A 38 8.012 -1.935 -0.861 1.00 31.03 H new ATOM 0 HB3 TYR A 38 8.829 -3.004 0.262 1.00 31.03 H new ATOM 0 HD1 TYR A 38 9.489 -1.355 2.549 1.00 32.11 H new ATOM 0 HD2 TYR A 38 6.011 -1.203 0.089 1.00 61.30 H new ATOM 0 HE1 TYR A 38 8.217 -0.377 4.408 1.00 4.32 H new ATOM 0 HE2 TYR A 38 4.741 -0.219 1.946 1.00 25.44 H new ATOM 0 HH TYR A 38 5.171 -0.390 4.775 1.00 72.32 H new ATOM 604 N GLY A 39 10.258 -1.425 -2.642 1.00 2.20 N ATOM 605 CA GLY A 39 10.846 -1.957 -3.857 1.00 45.53 C ATOM 606 C GLY A 39 9.827 -2.647 -4.740 1.00 24.22 C ATOM 607 O GLY A 39 8.622 -2.545 -4.507 1.00 31.43 O ATOM 0 H GLY A 39 9.555 -0.701 -2.788 1.00 2.20 H new ATOM 0 HA2 GLY A 39 11.316 -1.147 -4.415 1.00 45.53 H new ATOM 0 HA3 GLY A 39 11.634 -2.664 -3.596 1.00 45.53 H new ATOM 611 N SER A 40 10.308 -3.350 -5.760 1.00 63.14 N ATOM 612 CA SER A 40 9.430 -4.055 -6.687 1.00 50.42 C ATOM 613 C SER A 40 8.836 -5.299 -6.032 1.00 11.53 C ATOM 614 O SER A 40 7.707 -5.689 -6.328 1.00 11.13 O ATOM 615 CB SER A 40 10.197 -4.447 -7.951 1.00 3.42 C ATOM 616 OG SER A 40 10.420 -3.322 -8.782 1.00 54.34 O ATOM 0 H SER A 40 11.302 -3.447 -5.966 1.00 63.14 H new ATOM 0 HA SER A 40 8.615 -3.384 -6.959 1.00 50.42 H new ATOM 0 HB2 SER A 40 11.152 -4.895 -7.676 1.00 3.42 H new ATOM 0 HB3 SER A 40 9.636 -5.203 -8.500 1.00 3.42 H new ATOM 0 HG SER A 40 10.913 -3.599 -9.582 1.00 54.34 H new ATOM 621 N GLU A 41 9.605 -5.916 -5.141 1.00 1.22 N ATOM 622 CA GLU A 41 9.155 -7.116 -4.444 1.00 35.53 C ATOM 623 C GLU A 41 7.825 -6.868 -3.739 1.00 1.22 C ATOM 624 O GLU A 41 6.877 -7.639 -3.891 1.00 1.30 O ATOM 625 CB GLU A 41 10.206 -7.568 -3.429 1.00 55.44 C ATOM 626 CG GLU A 41 11.392 -8.281 -4.057 1.00 31.35 C ATOM 627 CD GLU A 41 12.472 -7.321 -4.520 1.00 63.32 C ATOM 628 OE1 GLU A 41 12.927 -6.498 -3.699 1.00 45.43 O ATOM 629 OE2 GLU A 41 12.861 -7.395 -5.704 1.00 61.12 O ATOM 0 H GLU A 41 10.542 -5.605 -4.884 1.00 1.22 H new ATOM 0 HA GLU A 41 9.014 -7.904 -5.184 1.00 35.53 H new ATOM 0 HB2 GLU A 41 10.565 -6.698 -2.879 1.00 55.44 H new ATOM 0 HB3 GLU A 41 9.736 -8.232 -2.703 1.00 55.44 H new ATOM 0 HG2 GLU A 41 11.816 -8.978 -3.334 1.00 31.35 H new ATOM 0 HG3 GLU A 41 11.048 -8.872 -4.906 1.00 31.35 H new ATOM 634 N PHE A 42 7.762 -5.788 -2.968 1.00 0.01 N ATOM 635 CA PHE A 42 6.548 -5.439 -2.237 1.00 70.25 C ATOM 636 C PHE A 42 5.376 -5.243 -3.193 1.00 42.22 C ATOM 637 O PHE A 42 4.284 -5.767 -2.971 1.00 40.52 O ATOM 638 CB PHE A 42 6.771 -4.168 -1.415 1.00 20.44 C ATOM 639 CG PHE A 42 5.537 -3.692 -0.702 1.00 23.25 C ATOM 640 CD1 PHE A 42 4.622 -2.872 -1.345 1.00 44.31 C ATOM 641 CD2 PHE A 42 5.292 -4.065 0.609 1.00 32.20 C ATOM 642 CE1 PHE A 42 3.487 -2.433 -0.690 1.00 21.13 C ATOM 643 CE2 PHE A 42 4.158 -3.629 1.269 1.00 32.54 C ATOM 644 CZ PHE A 42 3.254 -2.813 0.617 1.00 2.41 C ATOM 0 H PHE A 42 8.537 -5.139 -2.833 1.00 0.01 H new ATOM 0 HA PHE A 42 6.309 -6.261 -1.563 1.00 70.25 H new ATOM 0 HB2 PHE A 42 7.557 -4.352 -0.682 1.00 20.44 H new ATOM 0 HB3 PHE A 42 7.129 -3.377 -2.074 1.00 20.44 H new ATOM 0 HD1 PHE A 42 4.798 -2.573 -2.368 1.00 44.31 H new ATOM 0 HD2 PHE A 42 5.995 -4.704 1.122 1.00 32.20 H new ATOM 0 HE1 PHE A 42 2.782 -1.793 -1.200 1.00 21.13 H new ATOM 0 HE2 PHE A 42 3.979 -3.926 2.292 1.00 32.54 H new ATOM 0 HZ PHE A 42 2.366 -2.473 1.129 1.00 2.41 H new ATOM 653 N THR A 43 5.609 -4.484 -4.259 1.00 73.13 N ATOM 654 CA THR A 43 4.574 -4.216 -5.248 1.00 24.32 C ATOM 655 C THR A 43 4.041 -5.511 -5.852 1.00 74.43 C ATOM 656 O THR A 43 2.836 -5.666 -6.052 1.00 74.53 O ATOM 657 CB THR A 43 5.098 -3.313 -6.380 1.00 20.42 C ATOM 658 OG1 THR A 43 6.226 -2.559 -5.923 1.00 71.44 O ATOM 659 CG2 THR A 43 4.011 -2.365 -6.865 1.00 71.03 C ATOM 0 H THR A 43 6.507 -4.044 -4.459 1.00 73.13 H new ATOM 0 HA THR A 43 3.766 -3.702 -4.727 1.00 24.32 H new ATOM 0 HB THR A 43 5.400 -3.950 -7.212 1.00 20.42 H new ATOM 0 HG1 THR A 43 6.001 -2.111 -5.081 1.00 71.44 H new ATOM 0 HG21 THR A 43 4.405 -1.738 -7.664 1.00 71.03 H new ATOM 0 HG22 THR A 43 3.166 -2.942 -7.240 1.00 71.03 H new ATOM 0 HG23 THR A 43 3.682 -1.735 -6.038 1.00 71.03 H new ATOM 667 N LYS A 44 4.947 -6.440 -6.141 1.00 51.44 N ATOM 668 CA LYS A 44 4.570 -7.723 -6.719 1.00 25.44 C ATOM 669 C LYS A 44 3.931 -8.627 -5.670 1.00 52.41 C ATOM 670 O LYS A 44 3.131 -9.504 -5.996 1.00 15.14 O ATOM 671 CB LYS A 44 5.794 -8.413 -7.325 1.00 42.33 C ATOM 672 CG LYS A 44 6.485 -7.592 -8.399 1.00 31.23 C ATOM 673 CD LYS A 44 6.003 -7.974 -9.789 1.00 61.52 C ATOM 674 CE LYS A 44 6.822 -7.288 -10.871 1.00 71.32 C ATOM 675 NZ LYS A 44 6.444 -7.756 -12.233 1.00 30.42 N ATOM 0 H LYS A 44 5.948 -6.327 -5.984 1.00 51.44 H new ATOM 0 HA LYS A 44 3.839 -7.537 -7.506 1.00 25.44 H new ATOM 0 HB2 LYS A 44 6.508 -8.631 -6.531 1.00 42.33 H new ATOM 0 HB3 LYS A 44 5.488 -9.369 -7.750 1.00 42.33 H new ATOM 0 HG2 LYS A 44 6.297 -6.532 -8.226 1.00 31.23 H new ATOM 0 HG3 LYS A 44 7.563 -7.739 -8.333 1.00 31.23 H new ATOM 0 HD2 LYS A 44 6.067 -9.055 -9.913 1.00 61.52 H new ATOM 0 HD3 LYS A 44 4.953 -7.702 -9.899 1.00 61.52 H new ATOM 0 HE2 LYS A 44 6.680 -6.209 -10.805 1.00 71.32 H new ATOM 0 HE3 LYS A 44 7.881 -7.481 -10.702 1.00 71.32 H new ATOM 0 HZ1 LYS A 44 7.025 -7.265 -12.942 1.00 30.42 H new ATOM 0 HZ2 LYS A 44 6.604 -8.781 -12.305 1.00 30.42 H new ATOM 0 HZ3 LYS A 44 5.439 -7.549 -12.405 1.00 30.42 H new ATOM 685 N GLN A 45 4.290 -8.407 -4.409 1.00 12.24 N ATOM 686 CA GLN A 45 3.751 -9.202 -3.311 1.00 1.02 C ATOM 687 C GLN A 45 2.307 -8.810 -3.014 1.00 20.23 C ATOM 688 O GLN A 45 1.523 -9.621 -2.521 1.00 1.54 O ATOM 689 CB GLN A 45 4.608 -9.027 -2.057 1.00 13.44 C ATOM 690 CG GLN A 45 4.645 -10.259 -1.168 1.00 1.10 C ATOM 691 CD GLN A 45 3.322 -10.518 -0.474 1.00 24.11 C ATOM 692 OE1 GLN A 45 2.591 -9.586 -0.137 1.00 74.33 O ATOM 693 NE2 GLN A 45 3.006 -11.789 -0.258 1.00 12.31 N ATOM 0 H GLN A 45 4.951 -7.685 -4.122 1.00 12.24 H new ATOM 0 HA GLN A 45 3.770 -10.250 -3.611 1.00 1.02 H new ATOM 0 HB2 GLN A 45 5.625 -8.774 -2.355 1.00 13.44 H new ATOM 0 HB3 GLN A 45 4.226 -8.185 -1.480 1.00 13.44 H new ATOM 0 HG2 GLN A 45 4.912 -11.128 -1.769 1.00 1.10 H new ATOM 0 HG3 GLN A 45 5.427 -10.138 -0.418 1.00 1.10 H new ATOM 0 HE21 GLN A 45 3.642 -12.530 -0.554 1.00 12.31 H new ATOM 0 HE22 GLN A 45 2.128 -12.025 0.204 1.00 12.31 H new ATOM 700 N MET A 46 1.963 -7.563 -3.316 1.00 14.32 N ATOM 701 CA MET A 46 0.613 -7.065 -3.082 1.00 14.54 C ATOM 702 C MET A 46 -0.085 -6.743 -4.399 1.00 73.32 C ATOM 703 O MET A 46 -1.193 -6.206 -4.411 1.00 32.31 O ATOM 704 CB MET A 46 0.653 -5.818 -2.195 1.00 51.12 C ATOM 705 CG MET A 46 -0.685 -5.483 -1.557 1.00 11.31 C ATOM 706 SD MET A 46 -0.588 -4.066 -0.445 1.00 13.43 S ATOM 707 CE MET A 46 -0.023 -2.792 -1.569 1.00 33.31 C ATOM 0 H MET A 46 2.600 -6.879 -3.723 1.00 14.32 H new ATOM 0 HA MET A 46 0.048 -7.847 -2.574 1.00 14.54 H new ATOM 0 HB2 MET A 46 1.394 -5.965 -1.409 1.00 51.12 H new ATOM 0 HB3 MET A 46 0.985 -4.968 -2.792 1.00 51.12 H new ATOM 0 HG2 MET A 46 -1.415 -5.277 -2.340 1.00 11.31 H new ATOM 0 HG3 MET A 46 -1.047 -6.350 -1.004 1.00 11.31 H new ATOM 0 HE1 MET A 46 -0.084 -1.821 -1.078 1.00 33.31 H new ATOM 0 HE2 MET A 46 1.010 -2.991 -1.854 1.00 33.31 H new ATOM 0 HE3 MET A 46 -0.651 -2.788 -2.460 1.00 33.31 H new ATOM 715 N TYR A 47 0.570 -7.074 -5.507 1.00 2.50 N ATOM 716 CA TYR A 47 0.013 -6.818 -6.829 1.00 60.03 C ATOM 717 C TYR A 47 0.961 -7.302 -7.922 1.00 73.05 C ATOM 718 O TYR A 47 1.908 -6.606 -8.290 1.00 73.24 O ATOM 719 CB TYR A 47 -0.269 -5.326 -7.007 1.00 72.01 C ATOM 720 CG TYR A 47 -1.601 -5.035 -7.659 1.00 31.04 C ATOM 721 CD1 TYR A 47 -2.779 -5.568 -7.149 1.00 64.32 C ATOM 722 CD2 TYR A 47 -1.684 -4.225 -8.785 1.00 61.24 C ATOM 723 CE1 TYR A 47 -3.998 -5.305 -7.742 1.00 23.30 C ATOM 724 CE2 TYR A 47 -2.899 -3.956 -9.384 1.00 34.41 C ATOM 725 CZ TYR A 47 -4.053 -4.499 -8.859 1.00 21.01 C ATOM 726 OH TYR A 47 -5.266 -4.233 -9.453 1.00 2.42 O ATOM 0 H TYR A 47 1.487 -7.520 -5.515 1.00 2.50 H new ATOM 0 HA TYR A 47 -0.923 -7.370 -6.914 1.00 60.03 H new ATOM 0 HB2 TYR A 47 -0.238 -4.840 -6.032 1.00 72.01 H new ATOM 0 HB3 TYR A 47 0.525 -4.884 -7.609 1.00 72.01 H new ATOM 0 HD1 TYR A 47 -2.740 -6.199 -6.273 1.00 64.32 H new ATOM 0 HD2 TYR A 47 -0.782 -3.798 -9.199 1.00 61.24 H new ATOM 0 HE1 TYR A 47 -4.903 -5.728 -7.333 1.00 23.30 H new ATOM 0 HE2 TYR A 47 -2.945 -3.324 -10.259 1.00 34.41 H new ATOM 0 HH TYR A 47 -5.539 -5.000 -9.998 1.00 2.42 H new ATOM 735 N ASP A 48 0.699 -8.498 -8.438 1.00 52.14 N ATOM 736 CA ASP A 48 1.528 -9.075 -9.489 1.00 23.31 C ATOM 737 C ASP A 48 0.829 -8.982 -10.843 1.00 40.11 C ATOM 738 O ASP A 48 0.095 -9.887 -11.237 1.00 24.02 O ATOM 739 CB ASP A 48 1.853 -10.534 -9.169 1.00 62.44 C ATOM 740 CG ASP A 48 2.562 -11.235 -10.311 1.00 20.44 C ATOM 741 OD1 ASP A 48 3.787 -11.040 -10.460 1.00 12.33 O ATOM 742 OD2 ASP A 48 1.891 -11.978 -11.058 1.00 64.24 O ATOM 0 H ASP A 48 -0.081 -9.086 -8.145 1.00 52.14 H new ATOM 0 HA ASP A 48 2.457 -8.507 -9.539 1.00 23.31 H new ATOM 0 HB2 ASP A 48 2.478 -10.576 -8.277 1.00 62.44 H new ATOM 0 HB3 ASP A 48 0.930 -11.066 -8.937 1.00 62.44 H new ATOM 746 N GLY A 49 1.063 -7.881 -11.550 1.00 12.13 N ATOM 747 CA GLY A 49 0.448 -7.690 -12.850 1.00 71.54 C ATOM 748 C GLY A 49 -0.921 -7.046 -12.755 1.00 61.32 C ATOM 749 O GLY A 49 -1.057 -5.834 -12.916 1.00 63.50 O ATOM 0 H GLY A 49 1.668 -7.118 -11.246 1.00 12.13 H new ATOM 0 HA2 GLY A 49 1.096 -7.068 -13.467 1.00 71.54 H new ATOM 0 HA3 GLY A 49 0.359 -8.654 -13.351 1.00 71.54 H new ATOM 753 N ASN A 50 -1.939 -7.860 -12.495 1.00 53.21 N ATOM 754 CA ASN A 50 -3.306 -7.363 -12.381 1.00 72.35 C ATOM 755 C ASN A 50 -3.913 -7.745 -11.035 1.00 71.02 C ATOM 756 O ASN A 50 -4.614 -6.950 -10.411 1.00 51.22 O ATOM 757 CB ASN A 50 -4.167 -7.915 -13.518 1.00 22.53 C ATOM 758 CG ASN A 50 -3.550 -7.671 -14.882 1.00 12.35 C ATOM 759 OD1 ASN A 50 -3.431 -6.529 -15.326 1.00 11.34 O ATOM 760 ND2 ASN A 50 -3.157 -8.746 -15.554 1.00 51.13 N ATOM 0 H ASN A 50 -1.844 -8.866 -12.359 1.00 53.21 H new ATOM 0 HA ASN A 50 -3.279 -6.276 -12.451 1.00 72.35 H new ATOM 0 HB2 ASN A 50 -4.311 -8.986 -13.374 1.00 22.53 H new ATOM 0 HB3 ASN A 50 -5.153 -7.453 -13.481 1.00 22.53 H new ATOM 0 HD21 ASN A 50 -2.737 -8.645 -16.478 1.00 51.13 H new ATOM 0 HD22 ASN A 50 -3.275 -9.674 -15.147 1.00 51.13 H new ATOM 766 N ASN A 51 -3.639 -8.970 -10.595 1.00 15.41 N ATOM 767 CA ASN A 51 -4.159 -9.458 -9.323 1.00 40.33 C ATOM 768 C ASN A 51 -3.030 -9.974 -8.436 1.00 35.02 C ATOM 769 O ASN A 51 -1.924 -10.236 -8.910 1.00 4.42 O ATOM 770 CB ASN A 51 -5.185 -10.568 -9.560 1.00 43.24 C ATOM 771 CG ASN A 51 -4.550 -11.836 -10.098 1.00 31.22 C ATOM 772 OD1 ASN A 51 -4.176 -12.727 -9.336 1.00 42.24 O ATOM 773 ND2 ASN A 51 -4.425 -11.922 -11.417 1.00 14.33 N ATOM 0 H ASN A 51 -3.061 -9.641 -11.100 1.00 15.41 H new ATOM 0 HA ASN A 51 -4.645 -8.626 -8.814 1.00 40.33 H new ATOM 0 HB2 ASN A 51 -5.698 -10.790 -8.625 1.00 43.24 H new ATOM 0 HB3 ASN A 51 -5.941 -10.217 -10.263 1.00 43.24 H new ATOM 0 HD21 ASN A 51 -4.005 -12.751 -11.836 1.00 14.33 H new ATOM 0 HD22 ASN A 51 -4.749 -11.159 -12.011 1.00 14.33 H new ATOM 779 N LEU A 52 -3.316 -10.117 -7.147 1.00 44.31 N ATOM 780 CA LEU A 52 -2.325 -10.603 -6.193 1.00 12.52 C ATOM 781 C LEU A 52 -1.687 -11.897 -6.683 1.00 62.45 C ATOM 782 O LEU A 52 -2.221 -12.573 -7.562 1.00 31.34 O ATOM 783 CB LEU A 52 -2.973 -10.826 -4.824 1.00 22.32 C ATOM 784 CG LEU A 52 -3.698 -9.624 -4.221 1.00 10.31 C ATOM 785 CD1 LEU A 52 -3.107 -8.325 -4.746 1.00 41.03 C ATOM 786 CD2 LEU A 52 -5.189 -9.693 -4.521 1.00 60.43 C ATOM 0 H LEU A 52 -4.226 -9.903 -6.738 1.00 44.31 H new ATOM 0 HA LEU A 52 -1.545 -9.848 -6.100 1.00 12.52 H new ATOM 0 HB2 LEU A 52 -3.684 -11.648 -4.910 1.00 22.32 H new ATOM 0 HB3 LEU A 52 -2.199 -11.146 -4.126 1.00 22.32 H new ATOM 0 HG LEU A 52 -3.564 -9.650 -3.140 1.00 10.31 H new ATOM 0 HD11 LEU A 52 -3.636 -7.480 -4.305 1.00 41.03 H new ATOM 0 HD12 LEU A 52 -2.052 -8.271 -4.479 1.00 41.03 H new ATOM 0 HD13 LEU A 52 -3.209 -8.291 -5.831 1.00 41.03 H new ATOM 0 HD21 LEU A 52 -5.689 -8.829 -4.084 1.00 60.43 H new ATOM 0 HD22 LEU A 52 -5.343 -9.694 -5.600 1.00 60.43 H new ATOM 0 HD23 LEU A 52 -5.604 -10.606 -4.094 1.00 60.43 H new ATOM 797 N PHE A 53 -0.538 -12.239 -6.108 1.00 45.53 N ATOM 798 CA PHE A 53 0.175 -13.454 -6.485 1.00 2.21 C ATOM 799 C PHE A 53 -0.474 -14.684 -5.854 1.00 21.34 C ATOM 800 O PHE A 53 -1.004 -15.548 -6.552 1.00 72.43 O ATOM 801 CB PHE A 53 1.641 -13.363 -6.060 1.00 42.13 C ATOM 802 CG PHE A 53 2.490 -14.486 -6.588 1.00 1.24 C ATOM 803 CD1 PHE A 53 2.425 -15.748 -6.018 1.00 33.22 C ATOM 804 CD2 PHE A 53 3.350 -14.279 -7.655 1.00 55.52 C ATOM 805 CE1 PHE A 53 3.204 -16.781 -6.503 1.00 52.35 C ATOM 806 CE2 PHE A 53 4.131 -15.309 -8.142 1.00 64.32 C ATOM 807 CZ PHE A 53 4.057 -16.563 -7.566 1.00 74.25 C ATOM 0 H PHE A 53 -0.081 -11.691 -5.379 1.00 45.53 H new ATOM 0 HA PHE A 53 0.124 -13.554 -7.569 1.00 2.21 H new ATOM 0 HB2 PHE A 53 2.053 -12.414 -6.404 1.00 42.13 H new ATOM 0 HB3 PHE A 53 1.696 -13.358 -4.971 1.00 42.13 H new ATOM 0 HD1 PHE A 53 1.759 -15.926 -5.187 1.00 33.22 H new ATOM 0 HD2 PHE A 53 3.410 -13.302 -8.111 1.00 55.52 H new ATOM 0 HE1 PHE A 53 3.145 -17.760 -6.050 1.00 52.35 H new ATOM 0 HE2 PHE A 53 4.799 -15.134 -8.972 1.00 64.32 H new ATOM 0 HZ PHE A 53 4.665 -17.370 -7.947 1.00 74.25 H new ATOM 816 N LYS A 54 -0.428 -14.754 -4.528 1.00 42.40 N ATOM 817 CA LYS A 54 -1.011 -15.876 -3.801 1.00 53.12 C ATOM 818 C LYS A 54 -2.486 -15.626 -3.505 1.00 34.23 C ATOM 819 O LYS A 54 -3.346 -16.425 -3.871 1.00 0.33 O ATOM 820 CB LYS A 54 -0.251 -16.112 -2.493 1.00 64.23 C ATOM 821 CG LYS A 54 -0.783 -17.282 -1.683 1.00 22.21 C ATOM 822 CD LYS A 54 -0.496 -18.609 -2.365 1.00 25.20 C ATOM 823 CE LYS A 54 -1.768 -19.243 -2.907 1.00 62.15 C ATOM 824 NZ LYS A 54 -1.621 -20.714 -3.087 1.00 42.14 N ATOM 0 H LYS A 54 0.007 -14.047 -3.935 1.00 42.40 H new ATOM 0 HA LYS A 54 -0.930 -16.764 -4.428 1.00 53.12 H new ATOM 0 HB2 LYS A 54 0.801 -16.286 -2.720 1.00 64.23 H new ATOM 0 HB3 LYS A 54 -0.300 -15.208 -1.886 1.00 64.23 H new ATOM 0 HG2 LYS A 54 -0.329 -17.276 -0.692 1.00 22.21 H new ATOM 0 HG3 LYS A 54 -1.858 -17.169 -1.542 1.00 22.21 H new ATOM 0 HD2 LYS A 54 0.211 -18.455 -3.180 1.00 25.20 H new ATOM 0 HD3 LYS A 54 -0.023 -19.289 -1.656 1.00 25.20 H new ATOM 0 HE2 LYS A 54 -2.594 -19.041 -2.225 1.00 62.15 H new ATOM 0 HE3 LYS A 54 -2.024 -18.784 -3.862 1.00 62.15 H new ATOM 0 HZ1 LYS A 54 -2.509 -21.109 -3.458 1.00 42.14 H new ATOM 0 HZ2 LYS A 54 -0.850 -20.906 -3.758 1.00 42.14 H new ATOM 0 HZ3 LYS A 54 -1.402 -21.156 -2.171 1.00 42.14 H new ATOM 834 N ASN A 55 -2.770 -14.509 -2.843 1.00 15.54 N ATOM 835 CA ASN A 55 -4.143 -14.153 -2.498 1.00 33.53 C ATOM 836 C ASN A 55 -4.171 -13.097 -1.397 1.00 11.23 C ATOM 837 O ASN A 55 -4.939 -13.204 -0.440 1.00 61.25 O ATOM 838 CB ASN A 55 -4.917 -15.394 -2.051 1.00 61.43 C ATOM 839 CG ASN A 55 -5.897 -15.875 -3.105 1.00 12.41 C ATOM 840 OD1 ASN A 55 -5.889 -17.044 -3.488 1.00 60.10 O ATOM 841 ND2 ASN A 55 -6.748 -14.971 -3.577 1.00 5.20 N ATOM 0 H ASN A 55 -2.069 -13.835 -2.535 1.00 15.54 H new ATOM 0 HA ASN A 55 -4.619 -13.738 -3.387 1.00 33.53 H new ATOM 0 HB2 ASN A 55 -4.214 -16.194 -1.821 1.00 61.43 H new ATOM 0 HB3 ASN A 55 -5.458 -15.170 -1.131 1.00 61.43 H new ATOM 0 HD21 ASN A 55 -7.431 -15.235 -4.287 1.00 5.20 H new ATOM 0 HD22 ASN A 55 -6.718 -14.012 -3.230 1.00 5.20 H new ATOM 847 N VAL A 56 -3.330 -12.078 -1.540 1.00 43.01 N ATOM 848 CA VAL A 56 -3.260 -11.002 -0.558 1.00 22.52 C ATOM 849 C VAL A 56 -4.542 -10.177 -0.555 1.00 45.43 C ATOM 850 O VAL A 56 -5.119 -9.904 -1.607 1.00 32.44 O ATOM 851 CB VAL A 56 -2.064 -10.070 -0.832 1.00 72.00 C ATOM 852 CG1 VAL A 56 -1.773 -9.204 0.384 1.00 35.41 C ATOM 853 CG2 VAL A 56 -0.838 -10.879 -1.227 1.00 64.21 C ATOM 0 H VAL A 56 -2.688 -11.975 -2.326 1.00 43.01 H new ATOM 0 HA VAL A 56 -3.131 -11.471 0.417 1.00 22.52 H new ATOM 0 HB VAL A 56 -2.320 -9.413 -1.663 1.00 72.00 H new ATOM 0 HG11 VAL A 56 -0.925 -8.552 0.172 1.00 35.41 H new ATOM 0 HG12 VAL A 56 -2.648 -8.597 0.616 1.00 35.41 H new ATOM 0 HG13 VAL A 56 -1.537 -9.841 1.236 1.00 35.41 H new ATOM 0 HG21 VAL A 56 -0.003 -10.205 -1.417 1.00 64.21 H new ATOM 0 HG22 VAL A 56 -0.577 -11.562 -0.419 1.00 64.21 H new ATOM 0 HG23 VAL A 56 -1.055 -11.451 -2.129 1.00 64.21 H new ATOM 863 N ILE A 57 -4.982 -9.784 0.636 1.00 51.21 N ATOM 864 CA ILE A 57 -6.195 -8.989 0.777 1.00 3.14 C ATOM 865 C ILE A 57 -5.935 -7.727 1.593 1.00 62.05 C ATOM 866 O ILE A 57 -5.720 -7.793 2.804 1.00 51.33 O ATOM 867 CB ILE A 57 -7.323 -9.797 1.447 1.00 33.55 C ATOM 868 CG1 ILE A 57 -7.621 -11.063 0.641 1.00 34.13 C ATOM 869 CG2 ILE A 57 -8.575 -8.943 1.586 1.00 43.05 C ATOM 870 CD1 ILE A 57 -8.491 -12.057 1.379 1.00 34.51 C ATOM 0 H ILE A 57 -4.516 -10.003 1.517 1.00 51.21 H new ATOM 0 HA ILE A 57 -6.507 -8.709 -0.229 1.00 3.14 H new ATOM 0 HB ILE A 57 -6.996 -10.093 2.444 1.00 33.55 H new ATOM 0 HG12 ILE A 57 -8.112 -10.784 -0.291 1.00 34.13 H new ATOM 0 HG13 ILE A 57 -6.680 -11.544 0.374 1.00 34.13 H new ATOM 0 HG21 ILE A 57 -9.363 -9.527 2.061 1.00 43.05 H new ATOM 0 HG22 ILE A 57 -8.353 -8.069 2.198 1.00 43.05 H new ATOM 0 HG23 ILE A 57 -8.907 -8.621 0.599 1.00 43.05 H new ATOM 0 HD11 ILE A 57 -8.662 -12.930 0.749 1.00 34.51 H new ATOM 0 HD12 ILE A 57 -7.992 -12.365 2.298 1.00 34.51 H new ATOM 0 HD13 ILE A 57 -9.447 -11.593 1.623 1.00 34.51 H new ATOM 881 N ILE A 58 -5.956 -6.581 0.923 1.00 12.33 N ATOM 882 CA ILE A 58 -5.725 -5.304 1.587 1.00 22.21 C ATOM 883 C ILE A 58 -6.903 -4.357 1.385 1.00 30.44 C ATOM 884 O ILE A 58 -7.436 -4.239 0.280 1.00 51.10 O ATOM 885 CB ILE A 58 -4.442 -4.626 1.072 1.00 74.13 C ATOM 886 CG1 ILE A 58 -4.535 -3.108 1.248 1.00 23.03 C ATOM 887 CG2 ILE A 58 -4.204 -4.981 -0.388 1.00 3.30 C ATOM 888 CD1 ILE A 58 -3.229 -2.389 0.994 1.00 64.14 C ATOM 0 H ILE A 58 -6.131 -6.510 -0.079 1.00 12.33 H new ATOM 0 HA ILE A 58 -5.612 -5.518 2.650 1.00 22.21 H new ATOM 0 HB ILE A 58 -3.597 -4.990 1.657 1.00 74.13 H new ATOM 0 HG12 ILE A 58 -5.293 -2.718 0.569 1.00 23.03 H new ATOM 0 HG13 ILE A 58 -4.870 -2.888 2.261 1.00 23.03 H new ATOM 0 HG21 ILE A 58 -3.293 -4.494 -0.737 1.00 3.30 H new ATOM 0 HG22 ILE A 58 -4.099 -6.061 -0.487 1.00 3.30 H new ATOM 0 HG23 ILE A 58 -5.049 -4.642 -0.987 1.00 3.30 H new ATOM 0 HD11 ILE A 58 -3.370 -1.318 1.137 1.00 64.14 H new ATOM 0 HD12 ILE A 58 -2.473 -2.752 1.690 1.00 64.14 H new ATOM 0 HD13 ILE A 58 -2.902 -2.579 -0.028 1.00 64.14 H new ATOM 899 N LEU A 59 -7.305 -3.684 2.456 1.00 41.20 N ATOM 900 CA LEU A 59 -8.420 -2.745 2.397 1.00 20.22 C ATOM 901 C LEU A 59 -7.979 -1.349 2.822 1.00 14.35 C ATOM 902 O LEU A 59 -7.213 -1.190 3.772 1.00 74.02 O ATOM 903 CB LEU A 59 -9.566 -3.225 3.291 1.00 63.54 C ATOM 904 CG LEU A 59 -10.461 -4.318 2.705 1.00 40.33 C ATOM 905 CD1 LEU A 59 -11.396 -4.869 3.770 1.00 11.41 C ATOM 906 CD2 LEU A 59 -11.253 -3.781 1.522 1.00 4.21 C ATOM 0 H LEU A 59 -6.876 -3.771 3.377 1.00 41.20 H new ATOM 0 HA LEU A 59 -8.768 -2.698 1.365 1.00 20.22 H new ATOM 0 HB2 LEU A 59 -9.142 -3.593 4.225 1.00 63.54 H new ATOM 0 HB3 LEU A 59 -10.190 -2.367 3.540 1.00 63.54 H new ATOM 0 HG LEU A 59 -9.827 -5.131 2.352 1.00 40.33 H new ATOM 0 HD11 LEU A 59 -12.025 -5.646 3.335 1.00 11.41 H new ATOM 0 HD12 LEU A 59 -10.809 -5.292 4.586 1.00 11.41 H new ATOM 0 HD13 LEU A 59 -12.024 -4.065 4.154 1.00 11.41 H new ATOM 0 HD21 LEU A 59 -11.884 -4.572 1.118 1.00 4.21 H new ATOM 0 HD22 LEU A 59 -11.878 -2.950 1.849 1.00 4.21 H new ATOM 0 HD23 LEU A 59 -10.565 -3.436 0.750 1.00 4.21 H new ATOM 917 N VAL A 60 -8.471 -0.336 2.113 1.00 44.23 N ATOM 918 CA VAL A 60 -8.130 1.048 2.419 1.00 64.30 C ATOM 919 C VAL A 60 -9.307 1.775 3.059 1.00 5.43 C ATOM 920 O VAL A 60 -10.367 1.918 2.451 1.00 4.21 O ATOM 921 CB VAL A 60 -7.696 1.811 1.154 1.00 33.42 C ATOM 922 CG1 VAL A 60 -7.222 3.212 1.512 1.00 65.12 C ATOM 923 CG2 VAL A 60 -6.610 1.045 0.416 1.00 25.11 C ATOM 0 H VAL A 60 -9.107 -0.449 1.323 1.00 44.23 H new ATOM 0 HA VAL A 60 -7.297 1.021 3.122 1.00 64.30 H new ATOM 0 HB VAL A 60 -8.557 1.902 0.492 1.00 33.42 H new ATOM 0 HG11 VAL A 60 -6.919 3.736 0.606 1.00 65.12 H new ATOM 0 HG12 VAL A 60 -8.033 3.758 1.994 1.00 65.12 H new ATOM 0 HG13 VAL A 60 -6.374 3.146 2.193 1.00 65.12 H new ATOM 0 HG21 VAL A 60 -6.316 1.599 -0.475 1.00 25.11 H new ATOM 0 HG22 VAL A 60 -5.745 0.921 1.068 1.00 25.11 H new ATOM 0 HG23 VAL A 60 -6.989 0.065 0.125 1.00 25.11 H new ATOM 933 N ASN A 61 -9.113 2.233 4.292 1.00 52.04 N ATOM 934 CA ASN A 61 -10.159 2.946 5.016 1.00 3.10 C ATOM 935 C ASN A 61 -11.395 2.068 5.190 1.00 1.12 C ATOM 936 O ASN A 61 -12.525 2.538 5.062 1.00 1.52 O ATOM 937 CB ASN A 61 -10.533 4.233 4.278 1.00 64.30 C ATOM 938 CG ASN A 61 -11.164 5.263 5.195 1.00 51.13 C ATOM 939 OD1 ASN A 61 -11.500 4.967 6.342 1.00 73.30 O ATOM 940 ND2 ASN A 61 -11.326 6.481 4.692 1.00 21.34 N ATOM 0 H ASN A 61 -8.241 2.123 4.810 1.00 52.04 H new ATOM 0 HA ASN A 61 -9.774 3.201 6.003 1.00 3.10 H new ATOM 0 HB2 ASN A 61 -9.640 4.658 3.819 1.00 64.30 H new ATOM 0 HB3 ASN A 61 -11.226 3.997 3.470 1.00 64.30 H new ATOM 0 HD21 ASN A 61 -11.744 7.217 5.262 1.00 21.34 H new ATOM 0 HD22 ASN A 61 -11.033 6.681 3.736 1.00 21.34 H new ATOM 946 N GLY A 62 -11.171 0.791 5.482 1.00 71.21 N ATOM 947 CA GLY A 62 -12.275 -0.132 5.669 1.00 22.44 C ATOM 948 C GLY A 62 -13.213 -0.163 4.478 1.00 23.31 C ATOM 949 O GLY A 62 -14.399 -0.454 4.622 1.00 32.24 O ATOM 0 H GLY A 62 -10.245 0.379 5.592 1.00 71.21 H new ATOM 0 HA2 GLY A 62 -11.882 -1.133 5.844 1.00 22.44 H new ATOM 0 HA3 GLY A 62 -12.834 0.151 6.561 1.00 22.44 H new ATOM 953 N ASN A 63 -12.679 0.137 3.298 1.00 1.12 N ATOM 954 CA ASN A 63 -13.477 0.144 2.078 1.00 34.13 C ATOM 955 C ASN A 63 -12.587 0.010 0.845 1.00 44.41 C ATOM 956 O ASN A 63 -11.796 0.900 0.538 1.00 11.15 O ATOM 957 CB ASN A 63 -14.299 1.431 1.989 1.00 14.24 C ATOM 958 CG ASN A 63 -15.676 1.282 2.607 1.00 61.11 C ATOM 959 OD1 ASN A 63 -16.335 0.256 2.441 1.00 22.12 O ATOM 960 ND2 ASN A 63 -16.117 2.309 3.323 1.00 55.24 N ATOM 0 H ASN A 63 -11.697 0.378 3.161 1.00 1.12 H new ATOM 0 HA ASN A 63 -14.153 -0.710 2.111 1.00 34.13 H new ATOM 0 HB2 ASN A 63 -13.763 2.236 2.492 1.00 14.24 H new ATOM 0 HB3 ASN A 63 -14.403 1.721 0.943 1.00 14.24 H new ATOM 0 HD21 ASN A 63 -17.037 2.267 3.762 1.00 55.24 H new ATOM 0 HD22 ASN A 63 -15.536 3.140 3.434 1.00 55.24 H new ATOM 966 N ASN A 64 -12.724 -1.111 0.144 1.00 31.34 N ATOM 967 CA ASN A 64 -11.933 -1.362 -1.056 1.00 1.32 C ATOM 968 C ASN A 64 -12.043 -0.197 -2.034 1.00 20.33 C ATOM 969 O ASN A 64 -13.142 0.189 -2.435 1.00 25.13 O ATOM 970 CB ASN A 64 -12.391 -2.656 -1.732 1.00 21.24 C ATOM 971 CG ASN A 64 -13.901 -2.803 -1.736 1.00 43.11 C ATOM 972 OD1 ASN A 64 -14.511 -3.083 -0.705 1.00 44.32 O ATOM 973 ND2 ASN A 64 -14.510 -2.614 -2.901 1.00 42.23 N ATOM 0 H ASN A 64 -13.374 -1.859 0.385 1.00 31.34 H new ATOM 0 HA ASN A 64 -10.890 -1.465 -0.758 1.00 1.32 H new ATOM 0 HB2 ASN A 64 -12.024 -2.676 -2.758 1.00 21.24 H new ATOM 0 HB3 ASN A 64 -11.947 -3.508 -1.218 1.00 21.24 H new ATOM 0 HD21 ASN A 64 -15.524 -2.700 -2.966 1.00 42.23 H new ATOM 0 HD22 ASN A 64 -13.963 -2.383 -3.731 1.00 42.23 H new ATOM 979 N ILE A 65 -10.898 0.358 -2.416 1.00 0.22 N ATOM 980 CA ILE A 65 -10.866 1.478 -3.349 1.00 64.22 C ATOM 981 C ILE A 65 -11.594 1.135 -4.644 1.00 61.42 C ATOM 982 O ILE A 65 -12.183 2.004 -5.288 1.00 31.11 O ATOM 983 CB ILE A 65 -9.420 1.894 -3.680 1.00 25.03 C ATOM 984 CG1 ILE A 65 -8.703 0.770 -4.431 1.00 21.00 C ATOM 985 CG2 ILE A 65 -8.668 2.252 -2.408 1.00 43.33 C ATOM 986 CD1 ILE A 65 -7.269 1.097 -4.781 1.00 74.50 C ATOM 0 H ILE A 65 -9.980 0.051 -2.094 1.00 0.22 H new ATOM 0 HA ILE A 65 -11.372 2.311 -2.860 1.00 64.22 H new ATOM 0 HB ILE A 65 -9.448 2.775 -4.322 1.00 25.03 H new ATOM 0 HG12 ILE A 65 -8.723 -0.134 -3.822 1.00 21.00 H new ATOM 0 HG13 ILE A 65 -9.251 0.549 -5.347 1.00 21.00 H new ATOM 0 HG21 ILE A 65 -7.648 2.544 -2.658 1.00 43.33 H new ATOM 0 HG22 ILE A 65 -9.171 3.081 -1.909 1.00 43.33 H new ATOM 0 HG23 ILE A 65 -8.646 1.388 -1.743 1.00 43.33 H new ATOM 0 HD11 ILE A 65 -6.823 0.256 -5.312 1.00 74.50 H new ATOM 0 HD12 ILE A 65 -7.242 1.982 -5.416 1.00 74.50 H new ATOM 0 HD13 ILE A 65 -6.706 1.289 -3.867 1.00 74.50 H new ATOM 997 N THR A 66 -11.551 -0.139 -5.022 1.00 1.42 N ATOM 998 CA THR A 66 -12.207 -0.599 -6.239 1.00 21.21 C ATOM 999 C THR A 66 -13.698 -0.285 -6.212 1.00 30.20 C ATOM 1000 O THR A 66 -14.328 -0.123 -7.258 1.00 73.33 O ATOM 1001 CB THR A 66 -12.016 -2.113 -6.443 1.00 61.12 C ATOM 1002 OG1 THR A 66 -12.769 -2.838 -5.464 1.00 64.53 O ATOM 1003 CG2 THR A 66 -10.546 -2.492 -6.342 1.00 52.14 C ATOM 0 H THR A 66 -11.068 -0.871 -4.502 1.00 1.42 H new ATOM 0 HA THR A 66 -11.742 -0.067 -7.069 1.00 21.21 H new ATOM 0 HB THR A 66 -12.373 -2.371 -7.440 1.00 61.12 H new ATOM 0 HG1 THR A 66 -12.643 -3.800 -5.601 1.00 64.53 H new ATOM 0 HG21 THR A 66 -10.436 -3.566 -6.490 1.00 52.14 H new ATOM 0 HG22 THR A 66 -9.980 -1.961 -7.107 1.00 52.14 H new ATOM 0 HG23 THR A 66 -10.167 -2.221 -5.357 1.00 52.14 H new ATOM 1011 N SER A 67 -14.259 -0.201 -5.010 1.00 12.24 N ATOM 1012 CA SER A 67 -15.679 0.091 -4.848 1.00 63.33 C ATOM 1013 C SER A 67 -16.080 1.311 -5.671 1.00 31.01 C ATOM 1014 O SER A 67 -17.114 1.309 -6.340 1.00 64.11 O ATOM 1015 CB SER A 67 -16.007 0.327 -3.373 1.00 52.23 C ATOM 1016 OG SER A 67 -17.302 0.881 -3.221 1.00 42.41 O ATOM 0 H SER A 67 -13.752 -0.331 -4.134 1.00 12.24 H new ATOM 0 HA SER A 67 -16.245 -0.769 -5.206 1.00 63.33 H new ATOM 0 HB2 SER A 67 -15.945 -0.615 -2.828 1.00 52.23 H new ATOM 0 HB3 SER A 67 -15.267 0.998 -2.936 1.00 52.23 H new ATOM 0 HG SER A 67 -17.488 1.021 -2.269 1.00 42.41 H new ATOM 1021 N MET A 68 -15.256 2.352 -5.617 1.00 72.11 N ATOM 1022 CA MET A 68 -15.524 3.579 -6.358 1.00 64.22 C ATOM 1023 C MET A 68 -14.387 3.887 -7.328 1.00 3.11 C ATOM 1024 O MET A 68 -14.520 3.695 -8.537 1.00 14.22 O ATOM 1025 CB MET A 68 -15.719 4.750 -5.394 1.00 0.30 C ATOM 1026 CG MET A 68 -15.129 4.507 -4.015 1.00 42.42 C ATOM 1027 SD MET A 68 -15.358 5.909 -2.904 1.00 0.10 S ATOM 1028 CE MET A 68 -15.888 5.074 -1.411 1.00 10.44 C ATOM 0 H MET A 68 -14.397 2.370 -5.068 1.00 72.11 H new ATOM 0 HA MET A 68 -16.439 3.435 -6.932 1.00 64.22 H new ATOM 0 HB2 MET A 68 -15.263 5.643 -5.823 1.00 0.30 H new ATOM 0 HB3 MET A 68 -16.785 4.953 -5.293 1.00 0.30 H new ATOM 0 HG2 MET A 68 -15.591 3.622 -3.577 1.00 42.42 H new ATOM 0 HG3 MET A 68 -14.064 4.295 -4.112 1.00 42.42 H new ATOM 0 HE1 MET A 68 -16.070 5.810 -0.628 1.00 10.44 H new ATOM 0 HE2 MET A 68 -16.806 4.521 -1.610 1.00 10.44 H new ATOM 0 HE3 MET A 68 -15.111 4.382 -1.086 1.00 10.44 H new ATOM 1036 N LYS A 69 -13.270 4.366 -6.790 1.00 11.15 N ATOM 1037 CA LYS A 69 -12.110 4.701 -7.607 1.00 2.22 C ATOM 1038 C LYS A 69 -10.874 3.944 -7.132 1.00 51.23 C ATOM 1039 O LYS A 69 -10.568 3.922 -5.940 1.00 22.12 O ATOM 1040 CB LYS A 69 -11.848 6.208 -7.563 1.00 61.32 C ATOM 1041 CG LYS A 69 -12.711 7.004 -8.526 1.00 4.54 C ATOM 1042 CD LYS A 69 -12.959 8.414 -8.017 1.00 63.13 C ATOM 1043 CE LYS A 69 -13.834 9.206 -8.976 1.00 74.02 C ATOM 1044 NZ LYS A 69 -13.524 10.663 -8.935 1.00 44.21 N ATOM 0 H LYS A 69 -13.144 4.531 -5.791 1.00 11.15 H new ATOM 0 HA LYS A 69 -12.322 4.406 -8.635 1.00 2.22 H new ATOM 0 HB2 LYS A 69 -12.022 6.569 -6.549 1.00 61.32 H new ATOM 0 HB3 LYS A 69 -10.798 6.393 -7.792 1.00 61.32 H new ATOM 0 HG2 LYS A 69 -12.225 7.048 -9.500 1.00 4.54 H new ATOM 0 HG3 LYS A 69 -13.664 6.495 -8.668 1.00 4.54 H new ATOM 0 HD2 LYS A 69 -13.437 8.370 -7.038 1.00 63.13 H new ATOM 0 HD3 LYS A 69 -12.006 8.927 -7.884 1.00 63.13 H new ATOM 0 HE2 LYS A 69 -13.692 8.833 -9.990 1.00 74.02 H new ATOM 0 HE3 LYS A 69 -14.883 9.051 -8.723 1.00 74.02 H new ATOM 0 HZ1 LYS A 69 -14.141 11.168 -9.602 1.00 44.21 H new ATOM 0 HZ2 LYS A 69 -13.684 11.025 -7.973 1.00 44.21 H new ATOM 0 HZ3 LYS A 69 -12.530 10.814 -9.201 1.00 44.21 H new ATOM 1054 N GLY A 70 -10.165 3.325 -8.072 1.00 13.33 N ATOM 1055 CA GLY A 70 -8.970 2.578 -7.729 1.00 73.10 C ATOM 1056 C GLY A 70 -7.924 3.438 -7.048 1.00 32.23 C ATOM 1057 O GLY A 70 -8.005 3.691 -5.845 1.00 32.44 O ATOM 0 H GLY A 70 -10.398 3.328 -9.065 1.00 13.33 H new ATOM 0 HA2 GLY A 70 -9.239 1.750 -7.073 1.00 73.10 H new ATOM 0 HA3 GLY A 70 -8.545 2.143 -8.634 1.00 73.10 H new ATOM 1061 N LEU A 71 -6.939 3.888 -7.816 1.00 62.43 N ATOM 1062 CA LEU A 71 -5.869 4.723 -7.280 1.00 3.23 C ATOM 1063 C LEU A 71 -6.351 6.156 -7.074 1.00 63.13 C ATOM 1064 O LEU A 71 -5.721 6.936 -6.360 1.00 50.13 O ATOM 1065 CB LEU A 71 -4.663 4.708 -8.220 1.00 54.31 C ATOM 1066 CG LEU A 71 -3.302 4.481 -7.561 1.00 63.03 C ATOM 1067 CD1 LEU A 71 -3.174 3.042 -7.084 1.00 15.41 C ATOM 1068 CD2 LEU A 71 -2.177 4.825 -8.527 1.00 33.23 C ATOM 0 H LEU A 71 -6.858 3.689 -8.813 1.00 62.43 H new ATOM 0 HA LEU A 71 -5.572 4.316 -6.314 1.00 3.23 H new ATOM 0 HB2 LEU A 71 -4.818 3.928 -8.965 1.00 54.31 H new ATOM 0 HB3 LEU A 71 -4.632 5.658 -8.754 1.00 54.31 H new ATOM 0 HG LEU A 71 -3.225 5.139 -6.695 1.00 63.03 H new ATOM 0 HD11 LEU A 71 -2.199 2.899 -6.618 1.00 15.41 H new ATOM 0 HD12 LEU A 71 -3.959 2.828 -6.358 1.00 15.41 H new ATOM 0 HD13 LEU A 71 -3.272 2.367 -7.934 1.00 15.41 H new ATOM 0 HD21 LEU A 71 -1.216 4.657 -8.041 1.00 33.23 H new ATOM 0 HD22 LEU A 71 -2.251 4.193 -9.412 1.00 33.23 H new ATOM 0 HD23 LEU A 71 -2.257 5.872 -8.821 1.00 33.23 H new ATOM 1079 N ASP A 72 -7.470 6.494 -7.703 1.00 34.14 N ATOM 1080 CA ASP A 72 -8.038 7.833 -7.586 1.00 11.34 C ATOM 1081 C ASP A 72 -8.720 8.018 -6.234 1.00 12.10 C ATOM 1082 O ASP A 72 -9.097 9.130 -5.863 1.00 32.14 O ATOM 1083 CB ASP A 72 -9.039 8.086 -8.715 1.00 22.03 C ATOM 1084 CG ASP A 72 -8.421 8.834 -9.880 1.00 13.12 C ATOM 1085 OD1 ASP A 72 -7.180 8.807 -10.012 1.00 43.23 O ATOM 1086 OD2 ASP A 72 -9.180 9.446 -10.660 1.00 55.34 O ATOM 0 H ASP A 72 -8.002 5.860 -8.299 1.00 34.14 H new ATOM 0 HA ASP A 72 -7.224 8.554 -7.664 1.00 11.34 H new ATOM 0 HB2 ASP A 72 -9.433 7.133 -9.067 1.00 22.03 H new ATOM 0 HB3 ASP A 72 -9.883 8.657 -8.327 1.00 22.03 H new ATOM 1090 N THR A 73 -8.877 6.920 -5.500 1.00 72.45 N ATOM 1091 CA THR A 73 -9.514 6.961 -4.191 1.00 11.02 C ATOM 1092 C THR A 73 -8.742 7.858 -3.231 1.00 41.41 C ATOM 1093 O THR A 73 -7.535 7.696 -3.051 1.00 1.54 O ATOM 1094 CB THR A 73 -9.630 5.552 -3.579 1.00 53.10 C ATOM 1095 OG1 THR A 73 -10.967 5.063 -3.726 1.00 4.22 O ATOM 1096 CG2 THR A 73 -9.250 5.569 -2.106 1.00 54.00 C ATOM 0 H THR A 73 -8.571 5.992 -5.791 1.00 72.45 H new ATOM 0 HA THR A 73 -10.514 7.369 -4.339 1.00 11.02 H new ATOM 0 HB THR A 73 -8.942 4.892 -4.108 1.00 53.10 H new ATOM 0 HG1 THR A 73 -10.986 4.365 -4.413 1.00 4.22 H new ATOM 0 HG21 THR A 73 -9.340 4.563 -1.696 1.00 54.00 H new ATOM 0 HG22 THR A 73 -8.222 5.914 -2.000 1.00 54.00 H new ATOM 0 HG23 THR A 73 -9.916 6.242 -1.566 1.00 54.00 H new ATOM 1104 N GLU A 74 -9.446 8.804 -2.615 1.00 65.42 N ATOM 1105 CA GLU A 74 -8.825 9.726 -1.673 1.00 71.12 C ATOM 1106 C GLU A 74 -8.651 9.073 -0.305 1.00 23.22 C ATOM 1107 O GLU A 74 -9.210 8.008 -0.040 1.00 52.35 O ATOM 1108 CB GLU A 74 -9.665 10.998 -1.540 1.00 2.25 C ATOM 1109 CG GLU A 74 -10.938 10.804 -0.733 1.00 51.25 C ATOM 1110 CD GLU A 74 -11.910 11.957 -0.890 1.00 10.31 C ATOM 1111 OE1 GLU A 74 -12.431 12.146 -2.009 1.00 11.52 O ATOM 1112 OE2 GLU A 74 -12.149 12.671 0.107 1.00 1.30 O ATOM 0 H GLU A 74 -10.446 8.951 -2.752 1.00 65.42 H new ATOM 0 HA GLU A 74 -7.840 9.988 -2.059 1.00 71.12 H new ATOM 0 HB2 GLU A 74 -9.062 11.775 -1.070 1.00 2.25 H new ATOM 0 HB3 GLU A 74 -9.927 11.356 -2.536 1.00 2.25 H new ATOM 0 HG2 GLU A 74 -11.424 9.879 -1.045 1.00 51.25 H new ATOM 0 HG3 GLU A 74 -10.682 10.690 0.320 1.00 51.25 H new ATOM 1117 N ILE A 75 -7.872 9.716 0.557 1.00 15.11 N ATOM 1118 CA ILE A 75 -7.626 9.198 1.898 1.00 33.23 C ATOM 1119 C ILE A 75 -7.399 10.332 2.892 1.00 74.22 C ATOM 1120 O ILE A 75 -6.606 11.241 2.644 1.00 33.15 O ATOM 1121 CB ILE A 75 -6.407 8.258 1.921 1.00 52.41 C ATOM 1122 CG1 ILE A 75 -5.235 8.886 1.164 1.00 51.54 C ATOM 1123 CG2 ILE A 75 -6.769 6.907 1.323 1.00 70.44 C ATOM 1124 CD1 ILE A 75 -3.947 8.103 1.288 1.00 33.14 C ATOM 0 H ILE A 75 -7.400 10.597 0.352 1.00 15.11 H new ATOM 0 HA ILE A 75 -8.514 8.637 2.189 1.00 33.23 H new ATOM 0 HB ILE A 75 -6.104 8.106 2.957 1.00 52.41 H new ATOM 0 HG12 ILE A 75 -5.498 8.972 0.110 1.00 51.54 H new ATOM 0 HG13 ILE A 75 -5.073 9.898 1.536 1.00 51.54 H new ATOM 0 HG21 ILE A 75 -5.897 6.253 1.346 1.00 70.44 H new ATOM 0 HG22 ILE A 75 -7.575 6.457 1.902 1.00 70.44 H new ATOM 0 HG23 ILE A 75 -7.094 7.041 0.291 1.00 70.44 H new ATOM 0 HD11 ILE A 75 -3.160 8.606 0.727 1.00 33.14 H new ATOM 0 HD12 ILE A 75 -3.660 8.039 2.338 1.00 33.14 H new ATOM 0 HD13 ILE A 75 -4.092 7.099 0.889 1.00 33.14 H new ATOM 1135 N LYS A 76 -8.098 10.272 4.020 1.00 65.24 N ATOM 1136 CA LYS A 76 -7.971 11.290 5.056 1.00 33.20 C ATOM 1137 C LYS A 76 -7.154 10.770 6.233 1.00 51.44 C ATOM 1138 O LYS A 76 -6.789 9.595 6.277 1.00 55.55 O ATOM 1139 CB LYS A 76 -9.355 11.732 5.537 1.00 25.41 C ATOM 1140 CG LYS A 76 -10.225 12.313 4.436 1.00 3.21 C ATOM 1141 CD LYS A 76 -11.138 13.407 4.964 1.00 42.53 C ATOM 1142 CE LYS A 76 -10.395 14.725 5.122 1.00 4.43 C ATOM 1143 NZ LYS A 76 -10.003 15.301 3.805 1.00 43.52 N ATOM 0 H LYS A 76 -8.760 9.528 4.240 1.00 65.24 H new ATOM 0 HA LYS A 76 -7.451 12.147 4.627 1.00 33.20 H new ATOM 0 HB2 LYS A 76 -9.867 10.877 5.980 1.00 25.41 H new ATOM 0 HB3 LYS A 76 -9.236 12.476 6.325 1.00 25.41 H new ATOM 0 HG2 LYS A 76 -9.592 12.716 3.646 1.00 3.21 H new ATOM 0 HG3 LYS A 76 -10.826 11.521 3.990 1.00 3.21 H new ATOM 0 HD2 LYS A 76 -11.978 13.541 4.283 1.00 42.53 H new ATOM 0 HD3 LYS A 76 -11.552 13.104 5.926 1.00 42.53 H new ATOM 0 HE2 LYS A 76 -11.025 15.436 5.656 1.00 4.43 H new ATOM 0 HE3 LYS A 76 -9.504 14.569 5.730 1.00 4.43 H new ATOM 0 HZ1 LYS A 76 -9.815 16.318 3.913 1.00 43.52 H new ATOM 0 HZ2 LYS A 76 -9.145 14.825 3.460 1.00 43.52 H new ATOM 0 HZ3 LYS A 76 -10.775 15.162 3.122 1.00 43.52 H new ATOM 1153 N ASP A 77 -6.870 11.652 7.185 1.00 52.33 N ATOM 1154 CA ASP A 77 -6.097 11.281 8.366 1.00 21.32 C ATOM 1155 C ASP A 77 -6.747 10.109 9.094 1.00 11.32 C ATOM 1156 O ASP A 77 -6.076 9.353 9.797 1.00 54.53 O ATOM 1157 CB ASP A 77 -5.966 12.476 9.312 1.00 65.30 C ATOM 1158 CG ASP A 77 -7.278 12.827 9.987 1.00 22.41 C ATOM 1159 OD1 ASP A 77 -8.280 13.026 9.267 1.00 71.14 O ATOM 1160 OD2 ASP A 77 -7.302 12.904 11.232 1.00 2.44 O ATOM 0 H ASP A 77 -7.163 12.629 7.163 1.00 52.33 H new ATOM 0 HA ASP A 77 -5.103 10.976 8.039 1.00 21.32 H new ATOM 0 HB2 ASP A 77 -5.218 12.253 10.073 1.00 65.30 H new ATOM 0 HB3 ASP A 77 -5.606 13.340 8.754 1.00 65.30 H new ATOM 1164 N ASP A 78 -8.056 9.963 8.921 1.00 60.31 N ATOM 1165 CA ASP A 78 -8.797 8.883 9.561 1.00 63.43 C ATOM 1166 C ASP A 78 -8.609 7.572 8.804 1.00 21.34 C ATOM 1167 O ASP A 78 -8.727 6.489 9.378 1.00 42.42 O ATOM 1168 CB ASP A 78 -10.283 9.231 9.641 1.00 35.02 C ATOM 1169 CG ASP A 78 -10.524 10.606 10.236 1.00 3.33 C ATOM 1170 OD1 ASP A 78 -10.470 10.732 11.477 1.00 14.53 O ATOM 1171 OD2 ASP A 78 -10.766 11.553 9.460 1.00 31.24 O ATOM 0 H ASP A 78 -8.626 10.580 8.342 1.00 60.31 H new ATOM 0 HA ASP A 78 -8.407 8.758 10.571 1.00 63.43 H new ATOM 0 HB2 ASP A 78 -10.717 9.189 8.642 1.00 35.02 H new ATOM 0 HB3 ASP A 78 -10.797 8.482 10.244 1.00 35.02 H new ATOM 1175 N ASP A 79 -8.318 7.678 7.512 1.00 1.21 N ATOM 1176 CA ASP A 79 -8.114 6.501 6.675 1.00 24.24 C ATOM 1177 C ASP A 79 -7.109 5.548 7.313 1.00 52.23 C ATOM 1178 O ASP A 79 -6.211 5.971 8.041 1.00 71.24 O ATOM 1179 CB ASP A 79 -7.632 6.915 5.284 1.00 51.11 C ATOM 1180 CG ASP A 79 -6.124 6.846 5.151 1.00 74.22 C ATOM 1181 OD1 ASP A 79 -5.425 7.412 6.018 1.00 23.24 O ATOM 1182 OD2 ASP A 79 -5.641 6.230 4.178 1.00 23.33 O ATOM 0 H ASP A 79 -8.218 8.567 7.022 1.00 1.21 H new ATOM 0 HA ASP A 79 -9.068 5.983 6.580 1.00 24.24 H new ATOM 0 HB2 ASP A 79 -8.090 6.268 4.536 1.00 51.11 H new ATOM 0 HB3 ASP A 79 -7.966 7.931 5.074 1.00 51.11 H new ATOM 1186 N LYS A 80 -7.265 4.258 7.036 1.00 41.20 N ATOM 1187 CA LYS A 80 -6.372 3.244 7.582 1.00 45.13 C ATOM 1188 C LYS A 80 -6.217 2.075 6.613 1.00 13.13 C ATOM 1189 O LYS A 80 -7.206 1.485 6.176 1.00 3.24 O ATOM 1190 CB LYS A 80 -6.901 2.738 8.925 1.00 53.44 C ATOM 1191 CG LYS A 80 -8.252 2.051 8.829 1.00 32.02 C ATOM 1192 CD LYS A 80 -8.900 1.900 10.195 1.00 34.21 C ATOM 1193 CE LYS A 80 -8.560 0.559 10.827 1.00 11.25 C ATOM 1194 NZ LYS A 80 -9.376 -0.547 10.255 1.00 1.13 N ATOM 0 H LYS A 80 -8.003 3.890 6.436 1.00 41.20 H new ATOM 0 HA LYS A 80 -5.394 3.701 7.732 1.00 45.13 H new ATOM 0 HB2 LYS A 80 -6.179 2.042 9.351 1.00 53.44 H new ATOM 0 HB3 LYS A 80 -6.979 3.578 9.615 1.00 53.44 H new ATOM 0 HG2 LYS A 80 -8.908 2.626 8.176 1.00 32.02 H new ATOM 0 HG3 LYS A 80 -8.130 1.069 8.373 1.00 32.02 H new ATOM 0 HD2 LYS A 80 -8.567 2.706 10.848 1.00 34.21 H new ATOM 0 HD3 LYS A 80 -9.982 1.994 10.098 1.00 34.21 H new ATOM 0 HE2 LYS A 80 -7.502 0.345 10.677 1.00 11.25 H new ATOM 0 HE3 LYS A 80 -8.725 0.613 11.903 1.00 11.25 H new ATOM 0 HZ1 LYS A 80 -9.114 -1.444 10.712 1.00 1.13 H new ATOM 0 HZ2 LYS A 80 -10.385 -0.356 10.421 1.00 1.13 H new ATOM 0 HZ3 LYS A 80 -9.200 -0.615 9.232 1.00 1.13 H new ATOM 1204 N ILE A 81 -4.974 1.746 6.282 1.00 74.24 N ATOM 1205 CA ILE A 81 -4.691 0.648 5.368 1.00 24.31 C ATOM 1206 C ILE A 81 -4.190 -0.580 6.121 1.00 73.55 C ATOM 1207 O ILE A 81 -3.408 -0.465 7.065 1.00 72.20 O ATOM 1208 CB ILE A 81 -3.648 1.049 4.309 1.00 74.23 C ATOM 1209 CG1 ILE A 81 -4.161 2.224 3.474 1.00 4.01 C ATOM 1210 CG2 ILE A 81 -3.314 -0.136 3.417 1.00 63.10 C ATOM 1211 CD1 ILE A 81 -3.827 3.576 4.064 1.00 32.32 C ATOM 0 H ILE A 81 -4.145 2.225 6.634 1.00 74.24 H new ATOM 0 HA ILE A 81 -5.629 0.406 4.867 1.00 24.31 H new ATOM 0 HB ILE A 81 -2.737 1.361 4.820 1.00 74.23 H new ATOM 0 HG12 ILE A 81 -3.737 2.159 2.472 1.00 4.01 H new ATOM 0 HG13 ILE A 81 -5.243 2.140 3.369 1.00 4.01 H new ATOM 0 HG21 ILE A 81 -2.575 0.165 2.674 1.00 63.10 H new ATOM 0 HG22 ILE A 81 -2.909 -0.946 4.024 1.00 63.10 H new ATOM 0 HG23 ILE A 81 -4.218 -0.478 2.912 1.00 63.10 H new ATOM 0 HD11 ILE A 81 -4.221 4.362 3.420 1.00 32.32 H new ATOM 0 HD12 ILE A 81 -4.274 3.661 5.055 1.00 32.32 H new ATOM 0 HD13 ILE A 81 -2.745 3.681 4.144 1.00 32.32 H new ATOM 1222 N ASP A 82 -4.642 -1.754 5.696 1.00 75.53 N ATOM 1223 CA ASP A 82 -4.237 -3.004 6.327 1.00 53.13 C ATOM 1224 C ASP A 82 -3.925 -4.067 5.279 1.00 1.01 C ATOM 1225 O ASP A 82 -4.584 -4.143 4.241 1.00 54.13 O ATOM 1226 CB ASP A 82 -5.334 -3.504 7.268 1.00 42.45 C ATOM 1227 CG ASP A 82 -5.557 -2.574 8.445 1.00 61.35 C ATOM 1228 OD1 ASP A 82 -4.561 -2.191 9.095 1.00 71.33 O ATOM 1229 OD2 ASP A 82 -6.725 -2.229 8.714 1.00 50.43 O ATOM 0 H ASP A 82 -5.290 -1.866 4.916 1.00 75.53 H new ATOM 0 HA ASP A 82 -3.332 -2.814 6.905 1.00 53.13 H new ATOM 0 HB2 ASP A 82 -6.265 -3.610 6.711 1.00 42.45 H new ATOM 0 HB3 ASP A 82 -5.068 -4.495 7.637 1.00 42.45 H new ATOM 1233 N LEU A 83 -2.916 -4.886 5.556 1.00 32.42 N ATOM 1234 CA LEU A 83 -2.515 -5.945 4.635 1.00 0.24 C ATOM 1235 C LEU A 83 -2.789 -7.320 5.236 1.00 50.10 C ATOM 1236 O LEU A 83 -2.241 -7.673 6.281 1.00 21.21 O ATOM 1237 CB LEU A 83 -1.031 -5.813 4.289 1.00 61.00 C ATOM 1238 CG LEU A 83 -0.547 -6.625 3.088 1.00 42.01 C ATOM 1239 CD1 LEU A 83 -0.495 -8.106 3.431 1.00 2.42 C ATOM 1240 CD2 LEU A 83 -1.448 -6.386 1.884 1.00 72.15 C ATOM 0 H LEU A 83 -2.361 -4.837 6.410 1.00 32.42 H new ATOM 0 HA LEU A 83 -3.104 -5.843 3.723 1.00 0.24 H new ATOM 0 HB2 LEU A 83 -0.814 -4.761 4.102 1.00 61.00 H new ATOM 0 HB3 LEU A 83 -0.448 -6.109 5.161 1.00 61.00 H new ATOM 0 HG LEU A 83 0.461 -6.296 2.834 1.00 42.01 H new ATOM 0 HD11 LEU A 83 -0.148 -8.668 2.564 1.00 2.42 H new ATOM 0 HD12 LEU A 83 0.191 -8.263 4.263 1.00 2.42 H new ATOM 0 HD13 LEU A 83 -1.491 -8.450 3.712 1.00 2.42 H new ATOM 0 HD21 LEU A 83 -1.088 -6.972 1.038 1.00 72.15 H new ATOM 0 HD22 LEU A 83 -2.467 -6.687 2.127 1.00 72.15 H new ATOM 0 HD23 LEU A 83 -1.434 -5.328 1.624 1.00 72.15 H new ATOM 1251 N PHE A 84 -3.637 -8.094 4.567 1.00 12.40 N ATOM 1252 CA PHE A 84 -3.982 -9.432 5.034 1.00 30.21 C ATOM 1253 C PHE A 84 -3.356 -10.499 4.140 1.00 15.03 C ATOM 1254 O PHE A 84 -3.392 -10.415 2.912 1.00 34.13 O ATOM 1255 CB PHE A 84 -5.502 -9.607 5.068 1.00 55.21 C ATOM 1256 CG PHE A 84 -6.221 -8.465 5.729 1.00 22.54 C ATOM 1257 CD1 PHE A 84 -5.742 -7.913 6.904 1.00 61.04 C ATOM 1258 CD2 PHE A 84 -7.378 -7.945 5.171 1.00 13.20 C ATOM 1259 CE1 PHE A 84 -6.403 -6.864 7.514 1.00 72.40 C ATOM 1260 CE2 PHE A 84 -8.044 -6.895 5.775 1.00 54.20 C ATOM 1261 CZ PHE A 84 -7.554 -6.352 6.948 1.00 25.31 C ATOM 0 H PHE A 84 -4.098 -7.818 3.700 1.00 12.40 H new ATOM 0 HA PHE A 84 -3.586 -9.551 6.043 1.00 30.21 H new ATOM 0 HB2 PHE A 84 -5.870 -9.716 4.048 1.00 55.21 H new ATOM 0 HB3 PHE A 84 -5.742 -10.531 5.594 1.00 55.21 H new ATOM 0 HD1 PHE A 84 -4.841 -8.307 7.350 1.00 61.04 H new ATOM 0 HD2 PHE A 84 -7.764 -8.365 4.254 1.00 13.20 H new ATOM 0 HE1 PHE A 84 -6.020 -6.445 8.433 1.00 72.40 H new ATOM 0 HE2 PHE A 84 -8.946 -6.500 5.331 1.00 54.20 H new ATOM 0 HZ PHE A 84 -8.070 -5.529 7.421 1.00 25.31 H new ATOM 1270 N PRO A 85 -2.768 -11.527 4.768 1.00 55.53 N ATOM 1271 CA PRO A 85 -2.122 -12.629 4.051 1.00 63.02 C ATOM 1272 C PRO A 85 -3.128 -13.519 3.330 1.00 2.41 C ATOM 1273 O PRO A 85 -4.326 -13.502 3.616 1.00 75.22 O ATOM 1274 CB PRO A 85 -1.416 -13.411 5.162 1.00 31.24 C ATOM 1275 CG PRO A 85 -2.192 -13.102 6.395 1.00 2.12 C ATOM 1276 CD PRO A 85 -2.687 -11.692 6.230 1.00 14.43 C ATOM 0 HA PRO A 85 -1.450 -12.270 3.272 1.00 63.02 H new ATOM 0 HB2 PRO A 85 -1.414 -14.481 4.953 1.00 31.24 H new ATOM 0 HB3 PRO A 85 -0.375 -13.104 5.262 1.00 31.24 H new ATOM 0 HG2 PRO A 85 -3.024 -13.796 6.517 1.00 2.12 H new ATOM 0 HG3 PRO A 85 -1.567 -13.195 7.283 1.00 2.12 H new ATOM 0 HD2 PRO A 85 -3.658 -11.549 6.705 1.00 14.43 H new ATOM 0 HD3 PRO A 85 -2.003 -10.971 6.678 1.00 14.43 H new ATOM 1281 N PRO A 86 -2.635 -14.318 2.373 1.00 65.22 N ATOM 1282 CA PRO A 86 -3.474 -15.231 1.593 1.00 22.32 C ATOM 1283 C PRO A 86 -4.000 -16.394 2.428 1.00 74.24 C ATOM 1284 O PRO A 86 -3.360 -16.817 3.392 1.00 65.33 O ATOM 1285 CB PRO A 86 -2.527 -15.741 0.503 1.00 10.12 C ATOM 1286 CG PRO A 86 -1.165 -15.605 1.091 1.00 14.21 C ATOM 1287 CD PRO A 86 -1.217 -14.392 1.979 1.00 12.44 C ATOM 0 HA PRO A 86 -4.364 -14.734 1.206 1.00 22.32 H new ATOM 0 HB2 PRO A 86 -2.744 -16.777 0.243 1.00 10.12 H new ATOM 0 HB3 PRO A 86 -2.624 -15.156 -0.411 1.00 10.12 H new ATOM 0 HG2 PRO A 86 -0.895 -16.494 1.660 1.00 14.21 H new ATOM 0 HG3 PRO A 86 -0.413 -15.486 0.311 1.00 14.21 H new ATOM 0 HD2 PRO A 86 -0.564 -14.500 2.845 1.00 12.44 H new ATOM 0 HD3 PRO A 86 -0.899 -13.493 1.451 1.00 12.44 H new ATOM 1292 N VAL A 87 -5.166 -16.908 2.053 1.00 14.33 N ATOM 1293 CA VAL A 87 -5.777 -18.022 2.767 1.00 74.10 C ATOM 1294 C VAL A 87 -4.827 -19.212 2.843 1.00 71.43 C ATOM 1295 O VAL A 87 -4.896 -20.017 3.771 1.00 21.05 O ATOM 1296 CB VAL A 87 -7.089 -18.469 2.095 1.00 42.54 C ATOM 1297 CG1 VAL A 87 -8.186 -17.443 2.333 1.00 4.54 C ATOM 1298 CG2 VAL A 87 -6.873 -18.696 0.607 1.00 30.25 C ATOM 0 H VAL A 87 -5.707 -16.570 1.257 1.00 14.33 H new ATOM 0 HA VAL A 87 -5.996 -17.670 3.775 1.00 74.10 H new ATOM 0 HB VAL A 87 -7.404 -19.412 2.541 1.00 42.54 H new ATOM 0 HG11 VAL A 87 -9.106 -17.775 1.851 1.00 4.54 H new ATOM 0 HG12 VAL A 87 -8.356 -17.334 3.404 1.00 4.54 H new ATOM 0 HG13 VAL A 87 -7.883 -16.483 1.915 1.00 4.54 H new ATOM 0 HG21 VAL A 87 -7.810 -19.011 0.147 1.00 30.25 H new ATOM 0 HG22 VAL A 87 -6.535 -17.769 0.143 1.00 30.25 H new ATOM 0 HG23 VAL A 87 -6.119 -19.470 0.463 1.00 30.25 H new ATOM 1308 N ALA A 88 -3.937 -19.315 1.861 1.00 42.15 N ATOM 1309 CA ALA A 88 -2.971 -20.405 1.818 1.00 60.35 C ATOM 1310 C ALA A 88 -1.773 -20.113 2.716 1.00 44.31 C ATOM 1311 O ALA A 88 -1.119 -21.030 3.212 1.00 23.14 O ATOM 1312 CB ALA A 88 -2.512 -20.648 0.387 1.00 10.33 C ATOM 0 H ALA A 88 -3.865 -18.657 1.085 1.00 42.15 H new ATOM 0 HA ALA A 88 -3.460 -21.305 2.190 1.00 60.35 H new ATOM 0 HB1 ALA A 88 -1.791 -21.465 0.370 1.00 10.33 H new ATOM 0 HB2 ALA A 88 -3.371 -20.909 -0.231 1.00 10.33 H new ATOM 0 HB3 ALA A 88 -2.045 -19.744 -0.004 1.00 10.33 H new