USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=23 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= -0.441 K(o=0.056,f=-2) USER MOD Set 1.2: A 66 THR OG1 : rot -21:sc= 0.497 USER MOD Set 2.1: A 45 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.7!) USER MOD Set 2.2: A 54 LYS NZ :NH3+ 172:sc= 0 (180deg=0) USER MOD Set 3.1: A 6 TYR OH : rot -110:sc= 0.649 USER MOD Set 3.2: A 14 THR OG1 : rot -174:sc= 1.95 USER MOD Set 3.3: A 38 TYR OH : rot -103:sc= 2.64 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc=-0.00619 (180deg=-0.895) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 15 LYS NZ :NH3+ -170:sc=-0.00361 (180deg=-0.106) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0232) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.12) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0509 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+ -175:sc= 0 (180deg=-0.0312) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 160:sc= -0.649 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 139:sc= -1.52 (180deg=-3.87!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc=-0.00498 X(o=-0.005,f=-0.005) USER MOD Single : A 55 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.7) USER MOD Single : A 61 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.3) USER MOD Single : A 63 ASN : amide:sc= -0.52 X(o=-0.52,f=-0.65) 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 101:sc= 1.19 USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00368) USER MOD Single : A 80 LYS NZ :NH3+ -164:sc=-0.00681 (180deg=-0.138) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.328 12.077 7.076 1.00 3.54 N ATOM 2 CA MET A 1 -1.751 10.993 7.864 1.00 34.43 C ATOM 3 C MET A 1 -2.376 9.654 7.487 1.00 11.42 C ATOM 4 O MET A 1 -3.571 9.436 7.693 1.00 61.13 O ATOM 5 CB MET A 1 -1.947 11.259 9.357 1.00 43.32 C ATOM 6 CG MET A 1 -1.509 10.103 10.243 1.00 31.14 C ATOM 7 SD MET A 1 -1.797 10.422 11.994 1.00 61.35 S ATOM 8 CE MET A 1 -3.268 9.442 12.280 1.00 25.13 C ATOM 0 H1 MET A 1 -1.566 12.679 6.703 1.00 3.54 H new ATOM 0 H2 MET A 1 -2.873 11.679 6.285 1.00 3.54 H new ATOM 0 H3 MET A 1 -2.956 12.647 7.678 1.00 3.54 H new ATOM 0 HA MET A 1 -0.684 10.949 7.648 1.00 34.43 H new ATOM 0 HB2 MET A 1 -1.387 12.152 9.635 1.00 43.32 H new ATOM 0 HB3 MET A 1 -2.999 11.472 9.545 1.00 43.32 H new ATOM 0 HG2 MET A 1 -2.046 9.201 9.949 1.00 31.14 H new ATOM 0 HG3 MET A 1 -0.448 9.909 10.083 1.00 31.14 H new ATOM 0 HE1 MET A 1 -3.571 9.537 13.323 1.00 25.13 H new ATOM 0 HE2 MET A 1 -4.072 9.796 11.635 1.00 25.13 H new ATOM 0 HE3 MET A 1 -3.057 8.396 12.057 1.00 25.13 H new ATOM 16 N VAL A 2 -1.563 8.761 6.934 1.00 2.33 N ATOM 17 CA VAL A 2 -2.037 7.443 6.529 1.00 2.02 C ATOM 18 C VAL A 2 -1.281 6.338 7.260 1.00 34.21 C ATOM 19 O VAL A 2 -0.050 6.350 7.323 1.00 2.53 O ATOM 20 CB VAL A 2 -1.887 7.234 5.010 1.00 42.52 C ATOM 21 CG1 VAL A 2 -2.773 8.207 4.248 1.00 33.13 C ATOM 22 CG2 VAL A 2 -0.432 7.385 4.593 1.00 24.22 C ATOM 0 H VAL A 2 -0.572 8.926 6.756 1.00 2.33 H new ATOM 0 HA VAL A 2 -3.093 7.392 6.792 1.00 2.02 H new ATOM 0 HB VAL A 2 -2.207 6.221 4.766 1.00 42.52 H new ATOM 0 HG11 VAL A 2 -2.654 8.045 3.177 1.00 33.13 H new ATOM 0 HG12 VAL A 2 -3.814 8.045 4.526 1.00 33.13 H new ATOM 0 HG13 VAL A 2 -2.486 9.229 4.494 1.00 33.13 H new ATOM 0 HG21 VAL A 2 -0.344 7.234 3.517 1.00 24.22 H new ATOM 0 HG22 VAL A 2 -0.082 8.385 4.849 1.00 24.22 H new ATOM 0 HG23 VAL A 2 0.175 6.644 5.114 1.00 24.22 H new ATOM 32 N THR A 3 -2.024 5.383 7.810 1.00 51.23 N ATOM 33 CA THR A 3 -1.425 4.272 8.537 1.00 61.24 C ATOM 34 C THR A 3 -1.259 3.052 7.637 1.00 41.40 C ATOM 35 O THR A 3 -2.173 2.684 6.900 1.00 23.41 O ATOM 36 CB THR A 3 -2.271 3.880 9.762 1.00 12.54 C ATOM 37 OG1 THR A 3 -2.873 5.046 10.335 1.00 33.13 O ATOM 38 CG2 THR A 3 -1.417 3.180 10.809 1.00 62.33 C ATOM 0 H THR A 3 -3.043 5.357 7.765 1.00 51.23 H new ATOM 0 HA THR A 3 -0.445 4.608 8.875 1.00 61.24 H new ATOM 0 HB THR A 3 -3.050 3.193 9.432 1.00 12.54 H new ATOM 0 HG1 THR A 3 -3.411 4.788 11.113 1.00 33.13 H new ATOM 0 HG21 THR A 3 -2.037 2.913 11.665 1.00 62.33 H new ATOM 0 HG22 THR A 3 -0.982 2.277 10.380 1.00 62.33 H new ATOM 0 HG23 THR A 3 -0.619 3.848 11.133 1.00 62.33 H new ATOM 46 N VAL A 4 -0.087 2.428 7.705 1.00 23.52 N ATOM 47 CA VAL A 4 0.197 1.248 6.896 1.00 44.35 C ATOM 48 C VAL A 4 0.521 0.045 7.776 1.00 12.42 C ATOM 49 O VAL A 4 1.406 0.107 8.629 1.00 11.41 O ATOM 50 CB VAL A 4 1.374 1.497 5.934 1.00 64.40 C ATOM 51 CG1 VAL A 4 0.944 2.397 4.786 1.00 11.42 C ATOM 52 CG2 VAL A 4 2.554 2.099 6.681 1.00 70.25 C ATOM 0 H VAL A 4 0.680 2.719 8.311 1.00 23.52 H new ATOM 0 HA VAL A 4 -0.701 1.039 6.314 1.00 44.35 H new ATOM 0 HB VAL A 4 1.688 0.540 5.516 1.00 64.40 H new ATOM 0 HG11 VAL A 4 1.789 2.562 4.117 1.00 11.42 H new ATOM 0 HG12 VAL A 4 0.132 1.922 4.235 1.00 11.42 H new ATOM 0 HG13 VAL A 4 0.603 3.354 5.182 1.00 11.42 H new ATOM 0 HG21 VAL A 4 3.376 2.268 5.986 1.00 70.25 H new ATOM 0 HG22 VAL A 4 2.256 3.047 7.128 1.00 70.25 H new ATOM 0 HG23 VAL A 4 2.876 1.414 7.465 1.00 70.25 H new ATOM 62 N ARG A 5 -0.203 -1.050 7.561 1.00 34.21 N ATOM 63 CA ARG A 5 0.006 -2.267 8.335 1.00 74.31 C ATOM 64 C ARG A 5 0.573 -3.379 7.456 1.00 14.01 C ATOM 65 O ARG A 5 0.359 -3.395 6.244 1.00 63.40 O ATOM 66 CB ARG A 5 -1.308 -2.725 8.971 1.00 50.01 C ATOM 67 CG ARG A 5 -1.255 -2.803 10.487 1.00 44.14 C ATOM 68 CD ARG A 5 -2.492 -3.483 11.053 1.00 64.10 C ATOM 69 NE ARG A 5 -2.887 -2.918 12.340 1.00 2.53 N ATOM 70 CZ ARG A 5 -3.828 -3.444 13.117 1.00 60.40 C ATOM 71 NH1 ARG A 5 -4.467 -4.542 12.738 1.00 1.51 N ATOM 72 NH2 ARG A 5 -4.131 -2.871 14.275 1.00 1.15 N ATOM 0 H ARG A 5 -0.939 -1.118 6.858 1.00 34.21 H new ATOM 0 HA ARG A 5 0.726 -2.047 9.124 1.00 74.31 H new ATOM 0 HB2 ARG A 5 -2.102 -2.038 8.678 1.00 50.01 H new ATOM 0 HB3 ARG A 5 -1.572 -3.705 8.574 1.00 50.01 H new ATOM 0 HG2 ARG A 5 -0.364 -3.352 10.793 1.00 44.14 H new ATOM 0 HG3 ARG A 5 -1.169 -1.799 10.901 1.00 44.14 H new ATOM 0 HD2 ARG A 5 -3.315 -3.384 10.346 1.00 64.10 H new ATOM 0 HD3 ARG A 5 -2.298 -4.549 11.169 1.00 64.10 H new ATOM 0 HE ARG A 5 -2.415 -2.073 12.660 1.00 2.53 H new ATOM 0 HH11 ARG A 5 -4.237 -4.985 11.848 1.00 1.51 H new ATOM 0 HH12 ARG A 5 -5.189 -4.944 13.336 1.00 1.51 H new ATOM 0 HH21 ARG A 5 -3.641 -2.026 14.569 1.00 1.15 H new ATOM 0 HH22 ARG A 5 -4.853 -3.276 14.871 1.00 1.15 H new ATOM 83 N TYR A 6 1.297 -4.304 8.076 1.00 61.21 N ATOM 84 CA TYR A 6 1.896 -5.418 7.351 1.00 51.05 C ATOM 85 C TYR A 6 1.910 -6.681 8.206 1.00 41.41 C ATOM 86 O TYR A 6 2.056 -6.616 9.427 1.00 4.03 O ATOM 87 CB TYR A 6 3.321 -5.065 6.920 1.00 53.32 C ATOM 88 CG TYR A 6 3.453 -3.671 6.349 1.00 62.23 C ATOM 89 CD1 TYR A 6 3.010 -3.381 5.064 1.00 52.44 C ATOM 90 CD2 TYR A 6 4.021 -2.644 7.093 1.00 40.34 C ATOM 91 CE1 TYR A 6 3.129 -2.109 4.538 1.00 41.03 C ATOM 92 CE2 TYR A 6 4.143 -1.369 6.576 1.00 41.42 C ATOM 93 CZ TYR A 6 3.697 -1.107 5.298 1.00 24.51 C ATOM 94 OH TYR A 6 3.816 0.161 4.778 1.00 32.10 O ATOM 0 H TYR A 6 1.483 -4.304 9.079 1.00 61.21 H new ATOM 0 HA TYR A 6 1.291 -5.608 6.465 1.00 51.05 H new ATOM 0 HB2 TYR A 6 3.986 -5.161 7.778 1.00 53.32 H new ATOM 0 HB3 TYR A 6 3.656 -5.787 6.175 1.00 53.32 H new ATOM 0 HD1 TYR A 6 2.565 -4.163 4.467 1.00 52.44 H new ATOM 0 HD2 TYR A 6 4.373 -2.846 8.094 1.00 40.34 H new ATOM 0 HE1 TYR A 6 2.779 -1.900 3.538 1.00 41.03 H new ATOM 0 HE2 TYR A 6 4.585 -0.582 7.169 1.00 41.42 H new ATOM 0 HH TYR A 6 4.760 0.355 4.602 1.00 32.10 H new ATOM 103 N TYR A 7 1.758 -7.829 7.555 1.00 75.02 N ATOM 104 CA TYR A 7 1.751 -9.108 8.255 1.00 22.22 C ATOM 105 C TYR A 7 3.006 -9.913 7.933 1.00 25.45 C ATOM 106 O TYR A 7 3.907 -9.430 7.248 1.00 35.31 O ATOM 107 CB TYR A 7 0.505 -9.913 7.877 1.00 55.11 C ATOM 108 CG TYR A 7 -0.498 -10.038 9.001 1.00 3.12 C ATOM 109 CD1 TYR A 7 -0.916 -8.922 9.714 1.00 15.53 C ATOM 110 CD2 TYR A 7 -1.029 -11.274 9.350 1.00 25.43 C ATOM 111 CE1 TYR A 7 -1.832 -9.033 10.743 1.00 22.04 C ATOM 112 CE2 TYR A 7 -1.947 -11.395 10.375 1.00 52.25 C ATOM 113 CZ TYR A 7 -2.344 -10.271 11.069 1.00 2.32 C ATOM 114 OH TYR A 7 -3.258 -10.385 12.092 1.00 53.14 O ATOM 0 H TYR A 7 1.638 -7.900 6.545 1.00 75.02 H new ATOM 0 HA TYR A 7 1.735 -8.907 9.326 1.00 22.22 H new ATOM 0 HB2 TYR A 7 0.023 -9.440 7.022 1.00 55.11 H new ATOM 0 HB3 TYR A 7 0.809 -10.911 7.560 1.00 55.11 H new ATOM 0 HD1 TYR A 7 -0.518 -7.951 9.460 1.00 15.53 H new ATOM 0 HD2 TYR A 7 -0.718 -12.156 8.810 1.00 25.43 H new ATOM 0 HE1 TYR A 7 -2.145 -8.155 11.289 1.00 22.04 H new ATOM 0 HE2 TYR A 7 -2.351 -12.363 10.631 1.00 52.25 H new ATOM 0 HH TYR A 7 -3.520 -11.324 12.193 1.00 53.14 H new ATOM 123 N ALA A 8 3.057 -11.144 8.431 1.00 1.33 N ATOM 124 CA ALA A 8 4.199 -12.018 8.195 1.00 34.22 C ATOM 125 C ALA A 8 4.539 -12.086 6.709 1.00 44.43 C ATOM 126 O ALA A 8 5.697 -12.281 6.335 1.00 3.04 O ATOM 127 CB ALA A 8 3.920 -13.410 8.740 1.00 63.35 C ATOM 0 H ALA A 8 2.320 -11.559 9.001 1.00 1.33 H new ATOM 0 HA ALA A 8 5.059 -11.602 8.719 1.00 34.22 H new ATOM 0 HB1 ALA A 8 4.782 -14.052 8.557 1.00 63.35 H new ATOM 0 HB2 ALA A 8 3.734 -13.350 9.812 1.00 63.35 H new ATOM 0 HB3 ALA A 8 3.044 -13.827 8.242 1.00 63.35 H new ATOM 133 N THR A 9 3.524 -11.928 5.866 1.00 15.11 N ATOM 134 CA THR A 9 3.715 -11.975 4.422 1.00 15.44 C ATOM 135 C THR A 9 4.578 -10.813 3.944 1.00 13.34 C ATOM 136 O THR A 9 5.446 -10.982 3.088 1.00 51.03 O ATOM 137 CB THR A 9 2.368 -11.940 3.676 1.00 2.42 C ATOM 138 OG1 THR A 9 1.403 -11.206 4.439 1.00 62.34 O ATOM 139 CG2 THR A 9 1.855 -13.350 3.421 1.00 34.13 C ATOM 0 H THR A 9 2.560 -11.766 6.159 1.00 15.11 H new ATOM 0 HA THR A 9 4.220 -12.915 4.200 1.00 15.44 H new ATOM 0 HB THR A 9 2.522 -11.447 2.716 1.00 2.42 H new ATOM 0 HG1 THR A 9 0.550 -11.187 3.957 1.00 62.34 H new ATOM 0 HG21 THR A 9 0.903 -13.301 2.893 1.00 34.13 H new ATOM 0 HG22 THR A 9 2.578 -13.896 2.815 1.00 34.13 H new ATOM 0 HG23 THR A 9 1.716 -13.864 4.372 1.00 34.13 H new ATOM 147 N LEU A 10 4.333 -9.632 4.503 1.00 33.54 N ATOM 148 CA LEU A 10 5.089 -8.440 4.133 1.00 73.11 C ATOM 149 C LEU A 10 6.065 -8.049 5.238 1.00 42.43 C ATOM 150 O LEU A 10 6.540 -6.915 5.289 1.00 70.13 O ATOM 151 CB LEU A 10 4.138 -7.278 3.843 1.00 14.51 C ATOM 152 CG LEU A 10 3.215 -7.451 2.637 1.00 42.21 C ATOM 153 CD1 LEU A 10 4.000 -7.941 1.430 1.00 5.01 C ATOM 154 CD2 LEU A 10 2.082 -8.412 2.965 1.00 45.34 C ATOM 0 H LEU A 10 3.618 -9.475 5.213 1.00 33.54 H new ATOM 0 HA LEU A 10 5.660 -8.668 3.233 1.00 73.11 H new ATOM 0 HB2 LEU A 10 3.521 -7.110 4.726 1.00 14.51 H new ATOM 0 HB3 LEU A 10 4.733 -6.377 3.694 1.00 14.51 H new ATOM 0 HG LEU A 10 2.782 -6.481 2.393 1.00 42.21 H new ATOM 0 HD11 LEU A 10 3.326 -8.058 0.581 1.00 5.01 H new ATOM 0 HD12 LEU A 10 4.775 -7.216 1.181 1.00 5.01 H new ATOM 0 HD13 LEU A 10 4.462 -8.901 1.662 1.00 5.01 H new ATOM 0 HD21 LEU A 10 1.435 -8.523 2.095 1.00 45.34 H new ATOM 0 HD22 LEU A 10 2.496 -9.383 3.236 1.00 45.34 H new ATOM 0 HD23 LEU A 10 1.502 -8.019 3.800 1.00 45.34 H new ATOM 165 N ARG A 11 6.362 -8.998 6.121 1.00 3.43 N ATOM 166 CA ARG A 11 7.282 -8.754 7.226 1.00 2.23 C ATOM 167 C ARG A 11 8.674 -8.410 6.706 1.00 63.15 C ATOM 168 O ARG A 11 9.212 -7.334 6.967 1.00 71.13 O ATOM 169 CB ARG A 11 7.353 -9.979 8.139 1.00 25.22 C ATOM 170 CG ARG A 11 6.807 -9.732 9.535 1.00 24.12 C ATOM 171 CD ARG A 11 6.929 -10.970 10.408 1.00 43.11 C ATOM 172 NE ARG A 11 7.644 -10.695 11.651 1.00 44.52 N ATOM 173 CZ ARG A 11 7.828 -11.597 12.609 1.00 43.51 C ATOM 174 NH1 ARG A 11 7.351 -12.827 12.466 1.00 31.00 N ATOM 175 NH2 ARG A 11 8.489 -11.271 13.712 1.00 61.21 N ATOM 0 H ARG A 11 5.979 -9.943 6.092 1.00 3.43 H new ATOM 0 HA ARG A 11 6.907 -7.906 7.799 1.00 2.23 H new ATOM 0 HB2 ARG A 11 6.796 -10.796 7.680 1.00 25.22 H new ATOM 0 HB3 ARG A 11 8.391 -10.304 8.216 1.00 25.22 H new ATOM 0 HG2 ARG A 11 7.347 -8.905 9.997 1.00 24.12 H new ATOM 0 HG3 ARG A 11 5.761 -9.433 9.470 1.00 24.12 H new ATOM 0 HD2 ARG A 11 5.934 -11.350 10.639 1.00 43.11 H new ATOM 0 HD3 ARG A 11 7.449 -11.753 9.856 1.00 43.11 H new ATOM 0 HE ARG A 11 8.023 -9.759 11.792 1.00 44.52 H new ATOM 0 HH11 ARG A 11 6.842 -13.081 11.619 1.00 31.00 H new ATOM 0 HH12 ARG A 11 7.493 -13.518 13.203 1.00 31.00 H new ATOM 0 HH21 ARG A 11 8.857 -10.326 13.826 1.00 61.21 H new ATOM 0 HH22 ARG A 11 8.629 -11.965 14.446 1.00 61.21 H new ATOM 186 N PRO A 12 9.274 -9.346 5.955 1.00 42.41 N ATOM 187 CA PRO A 12 10.612 -9.165 5.384 1.00 4.35 C ATOM 188 C PRO A 12 10.631 -8.121 4.273 1.00 70.51 C ATOM 189 O PRO A 12 11.697 -7.736 3.789 1.00 3.23 O ATOM 190 CB PRO A 12 10.947 -10.549 4.822 1.00 60.35 C ATOM 191 CG PRO A 12 9.625 -11.179 4.550 1.00 32.04 C ATOM 192 CD PRO A 12 8.691 -10.652 5.605 1.00 23.11 C ATOM 0 HA PRO A 12 11.326 -8.806 6.125 1.00 4.35 H new ATOM 0 HB2 PRO A 12 11.544 -10.473 3.913 1.00 60.35 H new ATOM 0 HB3 PRO A 12 11.526 -11.136 5.535 1.00 60.35 H new ATOM 0 HG2 PRO A 12 9.269 -10.925 3.552 1.00 32.04 H new ATOM 0 HG3 PRO A 12 9.693 -12.266 4.597 1.00 32.04 H new ATOM 0 HD2 PRO A 12 7.674 -10.550 5.226 1.00 23.11 H new ATOM 0 HD3 PRO A 12 8.644 -11.316 6.468 1.00 23.11 H new ATOM 197 N ILE A 13 9.449 -7.665 3.875 1.00 12.33 N ATOM 198 CA ILE A 13 9.332 -6.663 2.822 1.00 10.12 C ATOM 199 C ILE A 13 9.170 -5.265 3.409 1.00 4.43 C ATOM 200 O ILE A 13 9.469 -4.266 2.755 1.00 14.31 O ATOM 201 CB ILE A 13 8.139 -6.960 1.893 1.00 12.44 C ATOM 202 CG1 ILE A 13 8.086 -8.450 1.554 1.00 61.05 C ATOM 203 CG2 ILE A 13 8.236 -6.125 0.625 1.00 30.04 C ATOM 204 CD1 ILE A 13 6.966 -8.816 0.607 1.00 12.34 C ATOM 0 H ILE A 13 8.558 -7.973 4.265 1.00 12.33 H new ATOM 0 HA ILE A 13 10.254 -6.706 2.241 1.00 10.12 H new ATOM 0 HB ILE A 13 7.218 -6.693 2.412 1.00 12.44 H new ATOM 0 HG12 ILE A 13 9.037 -8.747 1.111 1.00 61.05 H new ATOM 0 HG13 ILE A 13 7.972 -9.020 2.476 1.00 61.05 H new ATOM 0 HG21 ILE A 13 7.387 -6.345 -0.022 1.00 30.04 H new ATOM 0 HG22 ILE A 13 8.229 -5.066 0.885 1.00 30.04 H new ATOM 0 HG23 ILE A 13 9.162 -6.364 0.102 1.00 30.04 H new ATOM 0 HD11 ILE A 13 6.990 -9.888 0.412 1.00 12.34 H new ATOM 0 HD12 ILE A 13 6.009 -8.550 1.056 1.00 12.34 H new ATOM 0 HD13 ILE A 13 7.090 -8.274 -0.330 1.00 12.34 H new ATOM 215 N THR A 14 8.694 -5.201 4.650 1.00 63.33 N ATOM 216 CA THR A 14 8.493 -3.927 5.326 1.00 12.41 C ATOM 217 C THR A 14 9.543 -3.707 6.410 1.00 30.51 C ATOM 218 O THR A 14 9.504 -2.712 7.134 1.00 62.10 O ATOM 219 CB THR A 14 7.092 -3.842 5.960 1.00 41.32 C ATOM 220 OG1 THR A 14 6.817 -2.496 6.366 1.00 61.31 O ATOM 221 CG2 THR A 14 6.985 -4.770 7.162 1.00 22.41 C ATOM 0 H THR A 14 8.441 -6.018 5.206 1.00 63.33 H new ATOM 0 HA THR A 14 8.589 -3.149 4.568 1.00 12.41 H new ATOM 0 HB THR A 14 6.361 -4.152 5.213 1.00 41.32 H new ATOM 0 HG1 THR A 14 5.969 -2.469 6.857 1.00 61.31 H new ATOM 0 HG21 THR A 14 5.987 -4.693 7.593 1.00 22.41 H new ATOM 0 HG22 THR A 14 7.165 -5.797 6.846 1.00 22.41 H new ATOM 0 HG23 THR A 14 7.726 -4.485 7.909 1.00 22.41 H new ATOM 229 N LYS A 15 10.481 -4.641 6.515 1.00 61.55 N ATOM 230 CA LYS A 15 11.545 -4.550 7.508 1.00 54.32 C ATOM 231 C LYS A 15 10.975 -4.605 8.922 1.00 0.25 C ATOM 232 O LYS A 15 11.606 -4.149 9.876 1.00 71.12 O ATOM 233 CB LYS A 15 12.339 -3.255 7.318 1.00 13.13 C ATOM 234 CG LYS A 15 12.741 -2.994 5.876 1.00 3.12 C ATOM 235 CD LYS A 15 13.826 -1.935 5.782 1.00 13.41 C ATOM 236 CE LYS A 15 13.338 -0.591 6.303 1.00 43.04 C ATOM 237 NZ LYS A 15 12.276 -0.012 5.435 1.00 3.12 N ATOM 0 H LYS A 15 10.526 -5.471 5.924 1.00 61.55 H new ATOM 0 HA LYS A 15 12.211 -5.402 7.369 1.00 54.32 H new ATOM 0 HB2 LYS A 15 11.742 -2.417 7.677 1.00 13.13 H new ATOM 0 HB3 LYS A 15 13.237 -3.295 7.935 1.00 13.13 H new ATOM 0 HG2 LYS A 15 13.095 -3.920 5.423 1.00 3.12 H new ATOM 0 HG3 LYS A 15 11.869 -2.674 5.307 1.00 3.12 H new ATOM 0 HD2 LYS A 15 14.698 -2.254 6.354 1.00 13.41 H new ATOM 0 HD3 LYS A 15 14.146 -1.831 4.745 1.00 13.41 H new ATOM 0 HE2 LYS A 15 12.953 -0.712 7.316 1.00 43.04 H new ATOM 0 HE3 LYS A 15 14.177 0.102 6.362 1.00 43.04 H new ATOM 0 HZ1 LYS A 15 12.090 0.970 5.722 1.00 3.12 H new ATOM 0 HZ2 LYS A 15 12.590 -0.030 4.444 1.00 3.12 H new ATOM 0 HZ3 LYS A 15 11.405 -0.572 5.532 1.00 3.12 H new ATOM 247 N LYS A 16 9.777 -5.167 9.050 1.00 62.45 N ATOM 248 CA LYS A 16 9.123 -5.286 10.348 1.00 32.43 C ATOM 249 C LYS A 16 9.086 -3.939 11.063 1.00 54.45 C ATOM 250 O LYS A 16 9.860 -3.696 11.991 1.00 23.22 O ATOM 251 CB LYS A 16 9.846 -6.317 11.215 1.00 72.33 C ATOM 252 CG LYS A 16 10.190 -7.600 10.477 1.00 10.42 C ATOM 253 CD LYS A 16 10.435 -8.748 11.440 1.00 43.44 C ATOM 254 CE LYS A 16 11.822 -8.671 12.059 1.00 53.42 C ATOM 255 NZ LYS A 16 12.361 -10.020 12.387 1.00 22.45 N ATOM 0 H LYS A 16 9.240 -5.547 8.271 1.00 62.45 H new ATOM 0 HA LYS A 16 8.098 -5.618 10.182 1.00 32.43 H new ATOM 0 HB2 LYS A 16 10.763 -5.874 11.603 1.00 72.33 H new ATOM 0 HB3 LYS A 16 9.221 -6.559 12.075 1.00 72.33 H new ATOM 0 HG2 LYS A 16 9.377 -7.860 9.799 1.00 10.42 H new ATOM 0 HG3 LYS A 16 11.078 -7.442 9.865 1.00 10.42 H new ATOM 0 HD2 LYS A 16 9.682 -8.730 12.228 1.00 43.44 H new ATOM 0 HD3 LYS A 16 10.323 -9.696 10.914 1.00 43.44 H new ATOM 0 HE2 LYS A 16 12.500 -8.167 11.369 1.00 53.42 H new ATOM 0 HE3 LYS A 16 11.782 -8.066 12.965 1.00 53.42 H new ATOM 0 HZ1 LYS A 16 13.308 -9.923 12.807 1.00 22.45 H new ATOM 0 HZ2 LYS A 16 11.728 -10.491 13.065 1.00 22.45 H new ATOM 0 HZ3 LYS A 16 12.424 -10.589 11.519 1.00 22.45 H new ATOM 265 N LYS A 17 8.183 -3.067 10.629 1.00 1.31 N ATOM 266 CA LYS A 17 8.043 -1.746 11.230 1.00 33.53 C ATOM 267 C LYS A 17 6.870 -0.990 10.615 1.00 74.40 C ATOM 268 O LYS A 17 6.758 -0.887 9.393 1.00 45.04 O ATOM 269 CB LYS A 17 9.332 -0.942 11.049 1.00 72.32 C ATOM 270 CG LYS A 17 9.269 0.453 11.648 1.00 43.11 C ATOM 271 CD LYS A 17 10.405 1.327 11.147 1.00 35.51 C ATOM 272 CE LYS A 17 11.652 1.167 12.003 1.00 41.13 C ATOM 273 NZ LYS A 17 11.531 1.890 13.300 1.00 64.24 N ATOM 0 H LYS A 17 7.536 -3.251 9.862 1.00 1.31 H new ATOM 0 HA LYS A 17 7.850 -1.877 12.295 1.00 33.53 H new ATOM 0 HB2 LYS A 17 10.158 -1.487 11.506 1.00 72.32 H new ATOM 0 HB3 LYS A 17 9.554 -0.862 9.985 1.00 72.32 H new ATOM 0 HG2 LYS A 17 8.315 0.915 11.396 1.00 43.11 H new ATOM 0 HG3 LYS A 17 9.313 0.385 12.735 1.00 43.11 H new ATOM 0 HD2 LYS A 17 10.636 1.068 10.114 1.00 35.51 H new ATOM 0 HD3 LYS A 17 10.091 2.371 11.151 1.00 35.51 H new ATOM 0 HE2 LYS A 17 11.829 0.108 12.192 1.00 41.13 H new ATOM 0 HE3 LYS A 17 12.518 1.542 11.457 1.00 41.13 H new ATOM 0 HZ1 LYS A 17 12.450 1.886 13.787 1.00 64.24 H new ATOM 0 HZ2 LYS A 17 11.237 2.872 13.124 1.00 64.24 H new ATOM 0 HZ3 LYS A 17 10.821 1.418 13.896 1.00 64.24 H new ATOM 283 N GLU A 18 5.999 -0.461 11.469 1.00 30.44 N ATOM 284 CA GLU A 18 4.835 0.286 11.008 1.00 63.22 C ATOM 285 C GLU A 18 4.922 1.748 11.436 1.00 41.13 C ATOM 286 O GLU A 18 5.391 2.057 12.531 1.00 10.14 O ATOM 287 CB GLU A 18 3.550 -0.341 11.553 1.00 73.31 C ATOM 288 CG GLU A 18 2.324 0.542 11.386 1.00 44.12 C ATOM 289 CD GLU A 18 1.032 -0.252 11.378 1.00 21.32 C ATOM 290 OE1 GLU A 18 1.083 -1.473 11.630 1.00 41.44 O ATOM 291 OE2 GLU A 18 -0.032 0.350 11.120 1.00 32.21 O ATOM 0 H GLU A 18 6.078 -0.536 12.483 1.00 30.44 H new ATOM 0 HA GLU A 18 4.817 0.245 9.919 1.00 63.22 H new ATOM 0 HB2 GLU A 18 3.376 -1.290 11.046 1.00 73.31 H new ATOM 0 HB3 GLU A 18 3.685 -0.565 12.611 1.00 73.31 H new ATOM 0 HG2 GLU A 18 2.293 1.272 12.195 1.00 44.12 H new ATOM 0 HG3 GLU A 18 2.408 1.102 10.455 1.00 44.12 H new ATOM 296 N GLU A 19 4.468 2.642 10.564 1.00 23.11 N ATOM 297 CA GLU A 19 4.496 4.072 10.851 1.00 41.24 C ATOM 298 C GLU A 19 3.460 4.815 10.013 1.00 34.04 C ATOM 299 O GLU A 19 2.956 4.292 9.019 1.00 62.21 O ATOM 300 CB GLU A 19 5.890 4.641 10.581 1.00 51.22 C ATOM 301 CG GLU A 19 6.238 5.835 11.454 1.00 73.22 C ATOM 302 CD GLU A 19 6.130 5.528 12.935 1.00 61.24 C ATOM 303 OE1 GLU A 19 7.073 4.919 13.484 1.00 65.20 O ATOM 304 OE2 GLU A 19 5.105 5.895 13.544 1.00 42.21 O ATOM 0 H GLU A 19 4.076 2.402 9.653 1.00 23.11 H new ATOM 0 HA GLU A 19 4.253 4.210 11.904 1.00 41.24 H new ATOM 0 HB2 GLU A 19 6.631 3.857 10.740 1.00 51.22 H new ATOM 0 HB3 GLU A 19 5.957 4.935 9.534 1.00 51.22 H new ATOM 0 HG2 GLU A 19 7.253 6.162 11.228 1.00 73.22 H new ATOM 0 HG3 GLU A 19 5.574 6.664 11.210 1.00 73.22 H new ATOM 309 N THR A 20 3.146 6.041 10.423 1.00 64.31 N ATOM 310 CA THR A 20 2.169 6.857 9.712 1.00 60.40 C ATOM 311 C THR A 20 2.840 8.035 9.015 1.00 61.12 C ATOM 312 O THR A 20 3.718 8.685 9.580 1.00 51.14 O ATOM 313 CB THR A 20 1.084 7.390 10.666 1.00 4.14 C ATOM 314 OG1 THR A 20 1.689 7.929 11.846 1.00 2.35 O ATOM 315 CG2 THR A 20 0.109 6.286 11.048 1.00 10.21 C ATOM 0 H THR A 20 3.554 6.490 11.243 1.00 64.31 H new ATOM 0 HA THR A 20 1.703 6.214 8.965 1.00 60.40 H new ATOM 0 HB THR A 20 0.533 8.177 10.150 1.00 4.14 H new ATOM 0 HG1 THR A 20 0.992 8.267 12.446 1.00 2.35 H new ATOM 0 HG21 THR A 20 -0.648 6.686 11.722 1.00 10.21 H new ATOM 0 HG22 THR A 20 -0.373 5.899 10.150 1.00 10.21 H new ATOM 0 HG23 THR A 20 0.649 5.480 11.546 1.00 10.21 H new ATOM 323 N PHE A 21 2.420 8.305 7.783 1.00 23.31 N ATOM 324 CA PHE A 21 2.982 9.404 7.008 1.00 14.35 C ATOM 325 C PHE A 21 1.875 10.284 6.432 1.00 3.21 C ATOM 326 O PHE A 21 0.817 9.792 6.040 1.00 73.24 O ATOM 327 CB PHE A 21 3.860 8.865 5.877 1.00 3.53 C ATOM 328 CG PHE A 21 5.296 8.674 6.273 1.00 62.10 C ATOM 329 CD1 PHE A 21 6.165 9.752 6.314 1.00 62.11 C ATOM 330 CD2 PHE A 21 5.776 7.417 6.604 1.00 33.30 C ATOM 331 CE1 PHE A 21 7.488 9.580 6.676 1.00 41.34 C ATOM 332 CE2 PHE A 21 7.097 7.238 6.967 1.00 74.04 C ATOM 333 CZ PHE A 21 7.954 8.322 7.005 1.00 62.32 C ATOM 0 H PHE A 21 1.692 7.777 7.301 1.00 23.31 H new ATOM 0 HA PHE A 21 3.595 10.009 7.676 1.00 14.35 H new ATOM 0 HB2 PHE A 21 3.455 7.912 5.536 1.00 3.53 H new ATOM 0 HB3 PHE A 21 3.813 9.552 5.032 1.00 3.53 H new ATOM 0 HD1 PHE A 21 5.805 10.738 6.060 1.00 62.11 H new ATOM 0 HD2 PHE A 21 5.110 6.567 6.578 1.00 33.30 H new ATOM 0 HE1 PHE A 21 8.156 10.428 6.702 1.00 41.34 H new ATOM 0 HE2 PHE A 21 7.459 6.253 7.221 1.00 74.04 H new ATOM 0 HZ PHE A 21 8.986 8.185 7.291 1.00 62.32 H new ATOM 342 N ASN A 22 2.128 11.588 6.386 1.00 51.21 N ATOM 343 CA ASN A 22 1.153 12.537 5.859 1.00 52.24 C ATOM 344 C ASN A 22 1.622 13.115 4.527 1.00 40.22 C ATOM 345 O ASN A 22 2.800 13.033 4.182 1.00 50.32 O ATOM 346 CB ASN A 22 0.918 13.668 6.863 1.00 43.22 C ATOM 347 CG ASN A 22 2.213 14.229 7.416 1.00 32.44 C ATOM 348 OD1 ASN A 22 2.674 13.823 8.482 1.00 73.23 O ATOM 349 ND2 ASN A 22 2.806 15.170 6.690 1.00 73.42 N ATOM 0 H ASN A 22 2.999 12.012 6.707 1.00 51.21 H new ATOM 0 HA ASN A 22 0.216 12.004 5.695 1.00 52.24 H new ATOM 0 HB2 ASN A 22 0.356 14.467 6.380 1.00 43.22 H new ATOM 0 HB3 ASN A 22 0.305 13.299 7.685 1.00 43.22 H new ATOM 0 HD21 ASN A 22 3.680 15.587 7.011 1.00 73.42 H new ATOM 0 HD22 ASN A 22 2.387 15.476 5.812 1.00 73.42 H new ATOM 355 N GLY A 23 0.688 13.699 3.781 1.00 55.35 N ATOM 356 CA GLY A 23 1.025 14.283 2.495 1.00 41.23 C ATOM 357 C GLY A 23 -0.105 14.166 1.493 1.00 12.15 C ATOM 358 O GLY A 23 -1.206 14.666 1.728 1.00 62.22 O ATOM 0 H GLY A 23 -0.294 13.778 4.044 1.00 55.35 H new ATOM 0 HA2 GLY A 23 1.278 15.334 2.632 1.00 41.23 H new ATOM 0 HA3 GLY A 23 1.912 13.791 2.097 1.00 41.23 H new ATOM 362 N ILE A 24 0.165 13.507 0.372 1.00 70.22 N ATOM 363 CA ILE A 24 -0.838 13.328 -0.670 1.00 23.10 C ATOM 364 C ILE A 24 -1.980 12.441 -0.187 1.00 64.32 C ATOM 365 O ILE A 24 -1.774 11.274 0.148 1.00 45.14 O ATOM 366 CB ILE A 24 -0.226 12.710 -1.941 1.00 73.43 C ATOM 367 CG1 ILE A 24 0.896 13.602 -2.479 1.00 15.34 C ATOM 368 CG2 ILE A 24 -1.299 12.504 -3.000 1.00 25.30 C ATOM 369 CD1 ILE A 24 0.444 15.007 -2.810 1.00 21.53 C ATOM 0 H ILE A 24 1.071 13.088 0.162 1.00 70.22 H new ATOM 0 HA ILE A 24 -1.226 14.319 -0.908 1.00 23.10 H new ATOM 0 HB ILE A 24 0.197 11.738 -1.687 1.00 73.43 H new ATOM 0 HG12 ILE A 24 1.696 13.651 -1.740 1.00 15.34 H new ATOM 0 HG13 ILE A 24 1.316 13.144 -3.374 1.00 15.34 H new ATOM 0 HG21 ILE A 24 -0.851 12.067 -3.892 1.00 25.30 H new ATOM 0 HG22 ILE A 24 -2.067 11.834 -2.614 1.00 25.30 H new ATOM 0 HG23 ILE A 24 -1.749 13.464 -3.254 1.00 25.30 H new ATOM 0 HD11 ILE A 24 1.290 15.582 -3.186 1.00 21.53 H new ATOM 0 HD12 ILE A 24 -0.335 14.969 -3.571 1.00 21.53 H new ATOM 0 HD13 ILE A 24 0.051 15.484 -1.912 1.00 21.53 H new ATOM 380 N SER A 25 -3.185 13.000 -0.155 1.00 35.11 N ATOM 381 CA SER A 25 -4.361 12.260 0.289 1.00 74.32 C ATOM 382 C SER A 25 -4.899 11.374 -0.831 1.00 12.33 C ATOM 383 O SER A 25 -6.055 11.500 -1.236 1.00 41.34 O ATOM 384 CB SER A 25 -5.449 13.226 0.759 1.00 34.24 C ATOM 385 OG SER A 25 -5.461 14.405 -0.029 1.00 51.33 O ATOM 0 H SER A 25 -3.373 13.964 -0.431 1.00 35.11 H new ATOM 0 HA SER A 25 -4.067 11.623 1.123 1.00 74.32 H new ATOM 0 HB2 SER A 25 -6.422 12.738 0.703 1.00 34.24 H new ATOM 0 HB3 SER A 25 -5.282 13.485 1.804 1.00 34.24 H new ATOM 0 HG SER A 25 -6.167 15.005 0.291 1.00 51.33 H new ATOM 390 N LYS A 26 -4.053 10.477 -1.326 1.00 15.32 N ATOM 391 CA LYS A 26 -4.441 9.568 -2.397 1.00 21.13 C ATOM 392 C LYS A 26 -3.636 8.275 -2.332 1.00 52.04 C ATOM 393 O LYS A 26 -2.510 8.258 -1.831 1.00 14.14 O ATOM 394 CB LYS A 26 -4.243 10.237 -3.759 1.00 21.23 C ATOM 395 CG LYS A 26 -5.436 11.062 -4.210 1.00 33.41 C ATOM 396 CD LYS A 26 -5.273 11.540 -5.644 1.00 72.15 C ATOM 397 CE LYS A 26 -5.427 10.396 -6.634 1.00 14.30 C ATOM 398 NZ LYS A 26 -5.790 10.885 -7.993 1.00 4.13 N ATOM 0 H LYS A 26 -3.093 10.360 -1.002 1.00 15.32 H new ATOM 0 HA LYS A 26 -5.496 9.325 -2.269 1.00 21.13 H new ATOM 0 HB2 LYS A 26 -3.364 10.879 -3.715 1.00 21.23 H new ATOM 0 HB3 LYS A 26 -4.040 9.469 -4.506 1.00 21.23 H new ATOM 0 HG2 LYS A 26 -6.345 10.466 -4.125 1.00 33.41 H new ATOM 0 HG3 LYS A 26 -5.556 11.921 -3.550 1.00 33.41 H new ATOM 0 HD2 LYS A 26 -6.014 12.310 -5.858 1.00 72.15 H new ATOM 0 HD3 LYS A 26 -4.292 11.999 -5.766 1.00 72.15 H new ATOM 0 HE2 LYS A 26 -4.495 9.834 -6.687 1.00 14.30 H new ATOM 0 HE3 LYS A 26 -6.194 9.708 -6.278 1.00 14.30 H new ATOM 0 HZ1 LYS A 26 -5.886 10.076 -8.639 1.00 4.13 H new ATOM 0 HZ2 LYS A 26 -6.692 11.400 -7.947 1.00 4.13 H new ATOM 0 HZ3 LYS A 26 -5.046 11.521 -8.343 1.00 4.13 H new ATOM 408 N ILE A 27 -4.217 7.195 -2.842 1.00 63.24 N ATOM 409 CA ILE A 27 -3.551 5.898 -2.844 1.00 41.12 C ATOM 410 C ILE A 27 -2.411 5.867 -3.856 1.00 3.24 C ATOM 411 O ILE A 27 -1.468 5.087 -3.721 1.00 35.32 O ATOM 412 CB ILE A 27 -4.536 4.759 -3.162 1.00 1.53 C ATOM 413 CG1 ILE A 27 -5.609 4.666 -2.076 1.00 1.54 C ATOM 414 CG2 ILE A 27 -3.794 3.437 -3.295 1.00 34.12 C ATOM 415 CD1 ILE A 27 -5.074 4.218 -0.733 1.00 73.51 C ATOM 0 H ILE A 27 -5.148 7.192 -3.259 1.00 63.24 H new ATOM 0 HA ILE A 27 -3.148 5.749 -1.842 1.00 41.12 H new ATOM 0 HB ILE A 27 -5.024 4.976 -4.112 1.00 1.53 H new ATOM 0 HG12 ILE A 27 -6.084 5.640 -1.962 1.00 1.54 H new ATOM 0 HG13 ILE A 27 -6.383 3.970 -2.400 1.00 1.54 H new ATOM 0 HG21 ILE A 27 -4.505 2.642 -3.520 1.00 34.12 H new ATOM 0 HG22 ILE A 27 -3.063 3.509 -4.101 1.00 34.12 H new ATOM 0 HG23 ILE A 27 -3.282 3.212 -2.360 1.00 34.12 H new ATOM 0 HD11 ILE A 27 -5.890 4.175 -0.012 1.00 73.51 H new ATOM 0 HD12 ILE A 27 -4.624 3.230 -0.832 1.00 73.51 H new ATOM 0 HD13 ILE A 27 -4.321 4.926 -0.387 1.00 73.51 H new ATOM 426 N SER A 28 -2.504 6.721 -4.871 1.00 4.44 N ATOM 427 CA SER A 28 -1.482 6.790 -5.908 1.00 21.51 C ATOM 428 C SER A 28 -0.109 7.064 -5.301 1.00 33.12 C ATOM 429 O SER A 28 0.848 6.333 -5.550 1.00 10.04 O ATOM 430 CB SER A 28 -1.829 7.880 -6.924 1.00 4.04 C ATOM 431 OG SER A 28 -0.658 8.479 -7.450 1.00 15.11 O ATOM 0 H SER A 28 -3.277 7.375 -4.997 1.00 4.44 H new ATOM 0 HA SER A 28 -1.450 5.826 -6.416 1.00 21.51 H new ATOM 0 HB2 SER A 28 -2.418 7.451 -7.735 1.00 4.04 H new ATOM 0 HB3 SER A 28 -2.448 8.641 -6.449 1.00 4.04 H new ATOM 0 HG SER A 28 -0.907 9.171 -8.098 1.00 15.11 H new ATOM 436 N GLU A 29 -0.024 8.124 -4.503 1.00 51.15 N ATOM 437 CA GLU A 29 1.232 8.496 -3.861 1.00 41.03 C ATOM 438 C GLU A 29 1.557 7.547 -2.712 1.00 45.15 C ATOM 439 O GLU A 29 2.711 7.165 -2.514 1.00 45.45 O ATOM 440 CB GLU A 29 1.160 9.935 -3.345 1.00 44.41 C ATOM 441 CG GLU A 29 2.497 10.656 -3.364 1.00 73.34 C ATOM 442 CD GLU A 29 3.640 9.781 -2.886 1.00 24.11 C ATOM 443 OE1 GLU A 29 4.252 9.092 -3.728 1.00 73.44 O ATOM 444 OE2 GLU A 29 3.920 9.785 -1.669 1.00 4.51 O ATOM 0 H GLU A 29 -0.808 8.739 -4.286 1.00 51.15 H new ATOM 0 HA GLU A 29 2.026 8.424 -4.604 1.00 41.03 H new ATOM 0 HB2 GLU A 29 0.447 10.494 -3.951 1.00 44.41 H new ATOM 0 HB3 GLU A 29 0.775 9.928 -2.325 1.00 44.41 H new ATOM 0 HG2 GLU A 29 2.706 10.999 -4.377 1.00 73.34 H new ATOM 0 HG3 GLU A 29 2.436 11.543 -2.734 1.00 73.34 H new ATOM 449 N LEU A 30 0.532 7.170 -1.955 1.00 32.31 N ATOM 450 CA LEU A 30 0.707 6.266 -0.824 1.00 21.33 C ATOM 451 C LEU A 30 1.368 4.964 -1.265 1.00 44.21 C ATOM 452 O LEU A 30 2.368 4.536 -0.688 1.00 33.21 O ATOM 453 CB LEU A 30 -0.643 5.968 -0.169 1.00 15.23 C ATOM 454 CG LEU A 30 -0.595 5.493 1.283 1.00 71.24 C ATOM 455 CD1 LEU A 30 -2.001 5.348 1.845 1.00 4.01 C ATOM 456 CD2 LEU A 30 0.162 4.178 1.388 1.00 41.31 C ATOM 0 H LEU A 30 -0.429 7.477 -2.104 1.00 32.31 H new ATOM 0 HA LEU A 30 1.356 6.755 -0.098 1.00 21.33 H new ATOM 0 HB2 LEU A 30 -1.253 6.870 -0.215 1.00 15.23 H new ATOM 0 HB3 LEU A 30 -1.152 5.208 -0.762 1.00 15.23 H new ATOM 0 HG LEU A 30 -0.067 6.242 1.873 1.00 71.24 H new ATOM 0 HD11 LEU A 30 -1.946 5.009 2.879 1.00 4.01 H new ATOM 0 HD12 LEU A 30 -2.510 6.311 1.805 1.00 4.01 H new ATOM 0 HD13 LEU A 30 -2.556 4.620 1.254 1.00 4.01 H new ATOM 0 HD21 LEU A 30 0.187 3.854 2.429 1.00 41.31 H new ATOM 0 HD22 LEU A 30 -0.338 3.421 0.784 1.00 41.31 H new ATOM 0 HD23 LEU A 30 1.181 4.315 1.027 1.00 41.31 H new ATOM 467 N LEU A 31 0.804 4.338 -2.292 1.00 22.12 N ATOM 468 CA LEU A 31 1.340 3.086 -2.813 1.00 3.12 C ATOM 469 C LEU A 31 2.660 3.319 -3.541 1.00 23.14 C ATOM 470 O LEU A 31 3.608 2.551 -3.387 1.00 44.03 O ATOM 471 CB LEU A 31 0.331 2.430 -3.759 1.00 15.32 C ATOM 472 CG LEU A 31 -0.709 1.520 -3.105 1.00 32.52 C ATOM 473 CD1 LEU A 31 -1.650 0.946 -4.153 1.00 62.45 C ATOM 474 CD2 LEU A 31 -0.027 0.403 -2.328 1.00 24.03 C ATOM 0 H LEU A 31 -0.025 4.677 -2.780 1.00 22.12 H new ATOM 0 HA LEU A 31 1.524 2.420 -1.970 1.00 3.12 H new ATOM 0 HB2 LEU A 31 -0.194 3.217 -4.301 1.00 15.32 H new ATOM 0 HB3 LEU A 31 0.881 1.847 -4.497 1.00 15.32 H new ATOM 0 HG LEU A 31 -1.297 2.115 -2.406 1.00 32.52 H new ATOM 0 HD11 LEU A 31 -2.383 0.301 -3.669 1.00 62.45 H new ATOM 0 HD12 LEU A 31 -2.164 1.759 -4.665 1.00 62.45 H new ATOM 0 HD13 LEU A 31 -1.078 0.366 -4.877 1.00 62.45 H new ATOM 0 HD21 LEU A 31 -0.782 -0.235 -1.869 1.00 24.03 H new ATOM 0 HD22 LEU A 31 0.586 -0.191 -3.006 1.00 24.03 H new ATOM 0 HD23 LEU A 31 0.605 0.833 -1.551 1.00 24.03 H new ATOM 485 N GLU A 32 2.712 4.385 -4.333 1.00 21.33 N ATOM 486 CA GLU A 32 3.917 4.719 -5.084 1.00 21.11 C ATOM 487 C GLU A 32 5.103 4.923 -4.147 1.00 42.31 C ATOM 488 O GLU A 32 6.237 4.578 -4.479 1.00 41.01 O ATOM 489 CB GLU A 32 3.690 5.981 -5.919 1.00 62.10 C ATOM 490 CG GLU A 32 4.943 6.482 -6.617 1.00 20.43 C ATOM 491 CD GLU A 32 4.636 7.451 -7.743 1.00 25.40 C ATOM 492 OE1 GLU A 32 3.443 7.624 -8.067 1.00 3.35 O ATOM 493 OE2 GLU A 32 5.588 8.035 -8.300 1.00 71.34 O ATOM 0 H GLU A 32 1.935 5.031 -4.471 1.00 21.33 H new ATOM 0 HA GLU A 32 4.142 3.886 -5.750 1.00 21.11 H new ATOM 0 HB2 GLU A 32 2.924 5.779 -6.667 1.00 62.10 H new ATOM 0 HB3 GLU A 32 3.304 6.770 -5.273 1.00 62.10 H new ATOM 0 HG2 GLU A 32 5.590 6.971 -5.888 1.00 20.43 H new ATOM 0 HG3 GLU A 32 5.497 5.632 -7.015 1.00 20.43 H new ATOM 498 N ARG A 33 4.832 5.485 -2.973 1.00 73.32 N ATOM 499 CA ARG A 33 5.877 5.737 -1.987 1.00 63.32 C ATOM 500 C ARG A 33 6.252 4.453 -1.253 1.00 11.23 C ATOM 501 O ARG A 33 7.403 4.264 -0.860 1.00 63.13 O ATOM 502 CB ARG A 33 5.417 6.795 -0.984 1.00 33.14 C ATOM 503 CG ARG A 33 6.557 7.595 -0.375 1.00 34.53 C ATOM 504 CD ARG A 33 7.055 6.963 0.915 1.00 63.50 C ATOM 505 NE ARG A 33 6.004 6.881 1.925 1.00 33.21 N ATOM 506 CZ ARG A 33 6.052 6.065 2.971 1.00 41.53 C ATOM 507 NH1 ARG A 33 7.095 5.264 3.145 1.00 34.23 N ATOM 508 NH2 ARG A 33 5.056 6.049 3.849 1.00 44.13 N ATOM 0 H ARG A 33 3.898 5.774 -2.682 1.00 73.32 H new ATOM 0 HA ARG A 33 6.758 6.105 -2.513 1.00 63.32 H new ATOM 0 HB2 ARG A 33 4.729 7.479 -1.481 1.00 33.14 H new ATOM 0 HB3 ARG A 33 4.859 6.307 -0.185 1.00 33.14 H new ATOM 0 HG2 ARG A 33 7.378 7.662 -1.089 1.00 34.53 H new ATOM 0 HG3 ARG A 33 6.223 8.613 -0.177 1.00 34.53 H new ATOM 0 HD2 ARG A 33 7.435 5.963 0.706 1.00 63.50 H new ATOM 0 HD3 ARG A 33 7.889 7.546 1.306 1.00 63.50 H new ATOM 0 HE ARG A 33 5.188 7.484 1.821 1.00 33.21 H new ATOM 0 HH11 ARG A 33 7.863 5.274 2.474 1.00 34.23 H new ATOM 0 HH12 ARG A 33 7.129 4.638 3.950 1.00 34.23 H new ATOM 0 HH21 ARG A 33 4.253 6.664 3.720 1.00 44.13 H new ATOM 0 HH22 ARG A 33 5.094 5.421 4.652 1.00 44.13 H new ATOM 519 N LEU A 34 5.272 3.574 -1.071 1.00 41.51 N ATOM 520 CA LEU A 34 5.499 2.308 -0.383 1.00 24.45 C ATOM 521 C LEU A 34 6.257 1.331 -1.276 1.00 0.14 C ATOM 522 O LEU A 34 7.137 0.606 -0.813 1.00 63.43 O ATOM 523 CB LEU A 34 4.165 1.693 0.047 1.00 34.21 C ATOM 524 CG LEU A 34 3.502 2.320 1.274 1.00 74.41 C ATOM 525 CD1 LEU A 34 2.191 1.617 1.591 1.00 34.10 C ATOM 526 CD2 LEU A 34 4.440 2.270 2.472 1.00 24.41 C ATOM 0 H LEU A 34 4.313 3.715 -1.390 1.00 41.51 H new ATOM 0 HA LEU A 34 6.104 2.507 0.502 1.00 24.45 H new ATOM 0 HB2 LEU A 34 3.470 1.759 -0.790 1.00 34.21 H new ATOM 0 HB3 LEU A 34 4.324 0.633 0.246 1.00 34.21 H new ATOM 0 HG LEU A 34 3.285 3.365 1.051 1.00 74.41 H new ATOM 0 HD11 LEU A 34 1.734 2.077 2.467 1.00 34.10 H new ATOM 0 HD12 LEU A 34 1.515 1.706 0.740 1.00 34.10 H new ATOM 0 HD13 LEU A 34 2.383 0.563 1.793 1.00 34.10 H new ATOM 0 HD21 LEU A 34 3.951 2.721 3.336 1.00 24.41 H new ATOM 0 HD22 LEU A 34 4.689 1.233 2.696 1.00 24.41 H new ATOM 0 HD23 LEU A 34 5.352 2.821 2.243 1.00 24.41 H new ATOM 537 N LYS A 35 5.910 1.319 -2.559 1.00 4.12 N ATOM 538 CA LYS A 35 6.560 0.434 -3.519 1.00 14.42 C ATOM 539 C LYS A 35 8.010 0.848 -3.744 1.00 64.41 C ATOM 540 O LYS A 35 8.890 0.000 -3.902 1.00 54.43 O ATOM 541 CB LYS A 35 5.802 0.447 -4.848 1.00 21.32 C ATOM 542 CG LYS A 35 5.810 1.799 -5.540 1.00 11.24 C ATOM 543 CD LYS A 35 5.070 1.752 -6.866 1.00 65.13 C ATOM 544 CE LYS A 35 5.869 1.004 -7.924 1.00 41.23 C ATOM 545 NZ LYS A 35 7.002 1.819 -8.442 1.00 50.13 N ATOM 0 H LYS A 35 5.182 1.912 -2.958 1.00 4.12 H new ATOM 0 HA LYS A 35 6.549 -0.577 -3.111 1.00 14.42 H new ATOM 0 HB2 LYS A 35 6.241 -0.295 -5.514 1.00 21.32 H new ATOM 0 HB3 LYS A 35 4.770 0.145 -4.671 1.00 21.32 H new ATOM 0 HG2 LYS A 35 5.349 2.543 -4.891 1.00 11.24 H new ATOM 0 HG3 LYS A 35 6.839 2.117 -5.708 1.00 11.24 H new ATOM 0 HD2 LYS A 35 4.104 1.267 -6.728 1.00 65.13 H new ATOM 0 HD3 LYS A 35 4.871 2.767 -7.209 1.00 65.13 H new ATOM 0 HE2 LYS A 35 6.253 0.076 -7.500 1.00 41.23 H new ATOM 0 HE3 LYS A 35 5.212 0.730 -8.749 1.00 41.23 H new ATOM 0 HZ1 LYS A 35 7.470 1.309 -9.219 1.00 50.13 H new ATOM 0 HZ2 LYS A 35 6.643 2.730 -8.792 1.00 50.13 H new ATOM 0 HZ3 LYS A 35 7.686 1.988 -7.677 1.00 50.13 H new ATOM 555 N VAL A 36 8.254 2.154 -3.757 1.00 33.03 N ATOM 556 CA VAL A 36 9.599 2.679 -3.960 1.00 12.40 C ATOM 557 C VAL A 36 10.435 2.556 -2.691 1.00 45.14 C ATOM 558 O VAL A 36 11.638 2.307 -2.751 1.00 62.52 O ATOM 559 CB VAL A 36 9.565 4.155 -4.397 1.00 54.41 C ATOM 560 CG1 VAL A 36 8.961 5.022 -3.302 1.00 32.13 C ATOM 561 CG2 VAL A 36 10.961 4.636 -4.759 1.00 61.41 C ATOM 0 H VAL A 36 7.537 2.869 -3.629 1.00 33.03 H new ATOM 0 HA VAL A 36 10.055 2.083 -4.751 1.00 12.40 H new ATOM 0 HB VAL A 36 8.936 4.239 -5.283 1.00 54.41 H new ATOM 0 HG11 VAL A 36 8.945 6.062 -3.628 1.00 32.13 H new ATOM 0 HG12 VAL A 36 7.943 4.691 -3.096 1.00 32.13 H new ATOM 0 HG13 VAL A 36 9.561 4.935 -2.396 1.00 32.13 H new ATOM 0 HG21 VAL A 36 10.918 5.681 -5.065 1.00 61.41 H new ATOM 0 HG22 VAL A 36 11.615 4.539 -3.893 1.00 61.41 H new ATOM 0 HG23 VAL A 36 11.352 4.033 -5.579 1.00 61.41 H new ATOM 571 N GLU A 37 9.787 2.729 -1.543 1.00 62.13 N ATOM 572 CA GLU A 37 10.473 2.637 -0.259 1.00 3.40 C ATOM 573 C GLU A 37 10.877 1.196 0.039 1.00 65.25 C ATOM 574 O GLU A 37 12.033 0.919 0.364 1.00 2.43 O ATOM 575 CB GLU A 37 9.577 3.168 0.861 1.00 51.13 C ATOM 576 CG GLU A 37 10.236 3.145 2.230 1.00 55.03 C ATOM 577 CD GLU A 37 11.217 4.285 2.424 1.00 53.11 C ATOM 578 OE1 GLU A 37 12.194 4.364 1.650 1.00 43.55 O ATOM 579 OE2 GLU A 37 11.009 5.097 3.350 1.00 63.24 O ATOM 0 H GLU A 37 8.790 2.933 -1.476 1.00 62.13 H new ATOM 0 HA GLU A 37 11.375 3.246 -0.313 1.00 3.40 H new ATOM 0 HB2 GLU A 37 9.283 4.191 0.626 1.00 51.13 H new ATOM 0 HB3 GLU A 37 8.664 2.574 0.897 1.00 51.13 H new ATOM 0 HG2 GLU A 37 9.467 3.197 3.000 1.00 55.03 H new ATOM 0 HG3 GLU A 37 10.756 2.196 2.363 1.00 55.03 H new ATOM 584 N TYR A 38 9.919 0.283 -0.074 1.00 55.14 N ATOM 585 CA TYR A 38 10.174 -1.129 0.186 1.00 23.11 C ATOM 586 C TYR A 38 10.849 -1.790 -1.011 1.00 71.12 C ATOM 587 O TYR A 38 11.726 -2.638 -0.853 1.00 64.23 O ATOM 588 CB TYR A 38 8.867 -1.853 0.513 1.00 31.02 C ATOM 589 CG TYR A 38 8.201 -1.362 1.778 1.00 55.42 C ATOM 590 CD1 TYR A 38 8.952 -1.055 2.907 1.00 42.10 C ATOM 591 CD2 TYR A 38 6.823 -1.203 1.847 1.00 21.23 C ATOM 592 CE1 TYR A 38 8.349 -0.607 4.066 1.00 34.35 C ATOM 593 CE2 TYR A 38 6.212 -0.753 3.000 1.00 3.42 C ATOM 594 CZ TYR A 38 6.979 -0.457 4.107 1.00 53.31 C ATOM 595 OH TYR A 38 6.373 -0.010 5.260 1.00 72.34 O ATOM 0 H TYR A 38 8.959 0.495 -0.344 1.00 55.14 H new ATOM 0 HA TYR A 38 10.845 -1.199 1.042 1.00 23.11 H new ATOM 0 HB2 TYR A 38 8.176 -1.732 -0.321 1.00 31.02 H new ATOM 0 HB3 TYR A 38 9.067 -2.920 0.609 1.00 31.02 H new ATOM 0 HD1 TYR A 38 10.026 -1.169 2.877 1.00 42.10 H new ATOM 0 HD2 TYR A 38 6.219 -1.436 0.983 1.00 21.23 H new ATOM 0 HE1 TYR A 38 8.947 -0.376 4.935 1.00 34.35 H new ATOM 0 HE2 TYR A 38 5.139 -0.633 3.035 1.00 3.42 H new ATOM 0 HH TYR A 38 5.960 -0.766 5.727 1.00 72.34 H new ATOM 604 N GLY A 39 10.434 -1.394 -2.210 1.00 1.24 N ATOM 605 CA GLY A 39 11.008 -1.957 -3.418 1.00 65.54 C ATOM 606 C GLY A 39 9.958 -2.539 -4.343 1.00 43.21 C ATOM 607 O GLY A 39 8.778 -2.596 -3.996 1.00 30.41 O ATOM 0 H GLY A 39 9.710 -0.693 -2.367 1.00 1.24 H new ATOM 0 HA2 GLY A 39 11.565 -1.183 -3.947 1.00 65.54 H new ATOM 0 HA3 GLY A 39 11.722 -2.735 -3.149 1.00 65.54 H new ATOM 611 N SER A 40 10.387 -2.973 -5.524 1.00 11.42 N ATOM 612 CA SER A 40 9.474 -3.549 -6.504 1.00 1.25 C ATOM 613 C SER A 40 8.860 -4.844 -5.980 1.00 21.43 C ATOM 614 O SER A 40 7.717 -5.173 -6.295 1.00 34.14 O ATOM 615 CB SER A 40 10.207 -3.816 -7.821 1.00 1.14 C ATOM 616 OG SER A 40 10.394 -2.617 -8.552 1.00 14.50 O ATOM 0 H SER A 40 11.361 -2.937 -5.825 1.00 11.42 H new ATOM 0 HA SER A 40 8.672 -2.832 -6.681 1.00 1.25 H new ATOM 0 HB2 SER A 40 11.174 -4.275 -7.616 1.00 1.14 H new ATOM 0 HB3 SER A 40 9.637 -4.526 -8.420 1.00 1.14 H new ATOM 0 HG SER A 40 10.866 -2.814 -9.388 1.00 14.50 H new ATOM 621 N GLU A 41 9.629 -5.574 -5.178 1.00 34.41 N ATOM 622 CA GLU A 41 9.162 -6.833 -4.611 1.00 61.21 C ATOM 623 C GLU A 41 7.838 -6.641 -3.878 1.00 2.13 C ATOM 624 O GLU A 41 6.958 -7.502 -3.925 1.00 71.41 O ATOM 625 CB GLU A 41 10.209 -7.406 -3.654 1.00 41.12 C ATOM 626 CG GLU A 41 11.568 -7.625 -4.297 1.00 15.13 C ATOM 627 CD GLU A 41 11.647 -8.929 -5.065 1.00 61.12 C ATOM 628 OE1 GLU A 41 10.654 -9.685 -5.054 1.00 62.01 O ATOM 629 OE2 GLU A 41 12.703 -9.194 -5.678 1.00 74.03 O ATOM 0 H GLU A 41 10.578 -5.315 -4.907 1.00 34.41 H new ATOM 0 HA GLU A 41 9.006 -7.535 -5.430 1.00 61.21 H new ATOM 0 HB2 GLU A 41 10.322 -6.730 -2.806 1.00 41.12 H new ATOM 0 HB3 GLU A 41 9.847 -8.355 -3.259 1.00 41.12 H new ATOM 0 HG2 GLU A 41 11.784 -6.797 -4.972 1.00 15.13 H new ATOM 0 HG3 GLU A 41 12.337 -7.616 -3.524 1.00 15.13 H new ATOM 634 N PHE A 42 7.702 -5.506 -3.200 1.00 53.23 N ATOM 635 CA PHE A 42 6.486 -5.201 -2.456 1.00 51.43 C ATOM 636 C PHE A 42 5.297 -5.040 -3.398 1.00 71.52 C ATOM 637 O PHE A 42 4.258 -5.677 -3.221 1.00 41.20 O ATOM 638 CB PHE A 42 6.675 -3.925 -1.631 1.00 33.14 C ATOM 639 CG PHE A 42 5.409 -3.435 -0.987 1.00 61.24 C ATOM 640 CD1 PHE A 42 4.883 -4.083 0.118 1.00 45.23 C ATOM 641 CD2 PHE A 42 4.745 -2.326 -1.489 1.00 43.34 C ATOM 642 CE1 PHE A 42 3.719 -3.636 0.713 1.00 52.33 C ATOM 643 CE2 PHE A 42 3.582 -1.874 -0.897 1.00 13.53 C ATOM 644 CZ PHE A 42 3.066 -2.530 0.205 1.00 75.40 C ATOM 0 H PHE A 42 8.419 -4.782 -3.151 1.00 53.23 H new ATOM 0 HA PHE A 42 6.283 -6.034 -1.783 1.00 51.43 H new ATOM 0 HB2 PHE A 42 7.419 -4.109 -0.857 1.00 33.14 H new ATOM 0 HB3 PHE A 42 7.073 -3.141 -2.275 1.00 33.14 H new ATOM 0 HD1 PHE A 42 5.389 -4.949 0.520 1.00 45.23 H new ATOM 0 HD2 PHE A 42 5.141 -1.811 -2.351 1.00 43.34 H new ATOM 0 HE1 PHE A 42 3.320 -4.151 1.574 1.00 52.33 H new ATOM 0 HE2 PHE A 42 3.075 -1.007 -1.295 1.00 13.53 H new ATOM 0 HZ PHE A 42 2.155 -2.179 0.667 1.00 75.40 H new ATOM 653 N THR A 43 5.457 -4.183 -4.402 1.00 41.11 N ATOM 654 CA THR A 43 4.397 -3.937 -5.372 1.00 75.30 C ATOM 655 C THR A 43 4.020 -5.215 -6.111 1.00 60.41 C ATOM 656 O THR A 43 2.847 -5.459 -6.393 1.00 54.43 O ATOM 657 CB THR A 43 4.814 -2.867 -6.399 1.00 14.44 C ATOM 658 OG1 THR A 43 6.170 -2.468 -6.169 1.00 55.42 O ATOM 659 CG2 THR A 43 3.902 -1.651 -6.316 1.00 44.33 C ATOM 0 H THR A 43 6.310 -3.648 -4.564 1.00 41.11 H new ATOM 0 HA THR A 43 3.534 -3.577 -4.813 1.00 75.30 H new ATOM 0 HB THR A 43 4.727 -3.300 -7.396 1.00 14.44 H new ATOM 0 HG1 THR A 43 6.530 -2.052 -6.980 1.00 55.42 H new ATOM 0 HG21 THR A 43 4.216 -0.910 -7.051 1.00 44.33 H new ATOM 0 HG22 THR A 43 2.875 -1.952 -6.521 1.00 44.33 H new ATOM 0 HG23 THR A 43 3.961 -1.219 -5.317 1.00 44.33 H new ATOM 667 N LYS A 44 5.022 -6.029 -6.424 1.00 44.12 N ATOM 668 CA LYS A 44 4.796 -7.285 -7.130 1.00 40.35 C ATOM 669 C LYS A 44 4.195 -8.332 -6.198 1.00 1.22 C ATOM 670 O LYS A 44 3.498 -9.244 -6.643 1.00 1.33 O ATOM 671 CB LYS A 44 6.109 -7.806 -7.719 1.00 51.30 C ATOM 672 CG LYS A 44 6.607 -6.998 -8.904 1.00 2.13 C ATOM 673 CD LYS A 44 7.951 -7.505 -9.400 1.00 33.25 C ATOM 674 CE LYS A 44 7.784 -8.585 -10.457 1.00 2.12 C ATOM 675 NZ LYS A 44 8.971 -9.481 -10.527 1.00 62.40 N ATOM 0 H LYS A 44 5.999 -5.842 -6.200 1.00 44.12 H new ATOM 0 HA LYS A 44 4.091 -7.096 -7.939 1.00 40.35 H new ATOM 0 HB2 LYS A 44 6.873 -7.803 -6.941 1.00 51.30 H new ATOM 0 HB3 LYS A 44 5.973 -8.842 -8.028 1.00 51.30 H new ATOM 0 HG2 LYS A 44 5.877 -7.048 -9.712 1.00 2.13 H new ATOM 0 HG3 LYS A 44 6.695 -5.950 -8.619 1.00 2.13 H new ATOM 0 HD2 LYS A 44 8.524 -6.675 -9.814 1.00 33.25 H new ATOM 0 HD3 LYS A 44 8.524 -7.901 -8.561 1.00 33.25 H new ATOM 0 HE2 LYS A 44 6.895 -9.176 -10.235 1.00 2.12 H new ATOM 0 HE3 LYS A 44 7.622 -8.120 -11.429 1.00 2.12 H new ATOM 0 HZ1 LYS A 44 8.818 -10.203 -11.259 1.00 62.40 H new ATOM 0 HZ2 LYS A 44 9.815 -8.921 -10.764 1.00 62.40 H new ATOM 0 HZ3 LYS A 44 9.110 -9.945 -9.607 1.00 62.40 H new ATOM 685 N GLN A 45 4.467 -8.193 -4.904 1.00 25.12 N ATOM 686 CA GLN A 45 3.950 -9.128 -3.911 1.00 72.32 C ATOM 687 C GLN A 45 2.524 -8.765 -3.513 1.00 2.21 C ATOM 688 O GLN A 45 1.755 -9.622 -3.076 1.00 31.12 O ATOM 689 CB GLN A 45 4.851 -9.138 -2.673 1.00 23.44 C ATOM 690 CG GLN A 45 4.487 -10.218 -1.667 1.00 74.12 C ATOM 691 CD GLN A 45 5.045 -11.577 -2.043 1.00 10.24 C ATOM 692 OE1 GLN A 45 4.890 -12.033 -3.176 1.00 74.21 O ATOM 693 NE2 GLN A 45 5.696 -12.234 -1.090 1.00 14.43 N ATOM 0 H GLN A 45 5.042 -7.443 -4.519 1.00 25.12 H new ATOM 0 HA GLN A 45 3.942 -10.124 -4.355 1.00 72.32 H new ATOM 0 HB2 GLN A 45 5.885 -9.279 -2.987 1.00 23.44 H new ATOM 0 HB3 GLN A 45 4.796 -8.165 -2.185 1.00 23.44 H new ATOM 0 HG2 GLN A 45 4.862 -9.935 -0.684 1.00 74.12 H new ATOM 0 HG3 GLN A 45 3.402 -10.284 -1.587 1.00 74.12 H new ATOM 0 HE21 GLN A 45 5.801 -11.818 -0.164 1.00 14.43 H new ATOM 0 HE22 GLN A 45 6.091 -13.154 -1.284 1.00 14.43 H new ATOM 700 N MET A 46 2.177 -7.491 -3.667 1.00 42.41 N ATOM 701 CA MET A 46 0.841 -7.017 -3.323 1.00 61.43 C ATOM 702 C MET A 46 0.060 -6.638 -4.577 1.00 21.33 C ATOM 703 O MET A 46 -1.047 -6.107 -4.494 1.00 44.11 O ATOM 704 CB MET A 46 0.931 -5.815 -2.382 1.00 13.11 C ATOM 705 CG MET A 46 -0.343 -5.568 -1.589 1.00 71.41 C ATOM 706 SD MET A 46 -0.358 -3.955 -0.783 1.00 25.24 S ATOM 707 CE MET A 46 -0.892 -2.908 -2.134 1.00 33.53 C ATOM 0 H MET A 46 2.801 -6.769 -4.027 1.00 42.41 H new ATOM 0 HA MET A 46 0.313 -7.826 -2.818 1.00 61.43 H new ATOM 0 HB2 MET A 46 1.757 -5.968 -1.688 1.00 13.11 H new ATOM 0 HB3 MET A 46 1.165 -4.924 -2.965 1.00 13.11 H new ATOM 0 HG2 MET A 46 -1.202 -5.645 -2.256 1.00 71.41 H new ATOM 0 HG3 MET A 46 -0.454 -6.348 -0.835 1.00 71.41 H new ATOM 0 HE1 MET A 46 -1.605 -2.172 -1.764 1.00 33.53 H new ATOM 0 HE2 MET A 46 -0.029 -2.395 -2.560 1.00 33.53 H new ATOM 0 HE3 MET A 46 -1.367 -3.519 -2.902 1.00 33.53 H new ATOM 715 N TYR A 47 0.644 -6.914 -5.738 1.00 24.40 N ATOM 716 CA TYR A 47 0.003 -6.600 -7.011 1.00 51.55 C ATOM 717 C TYR A 47 0.807 -7.163 -8.178 1.00 34.33 C ATOM 718 O TYR A 47 1.907 -6.694 -8.474 1.00 12.42 O ATOM 719 CB TYR A 47 -0.153 -5.086 -7.166 1.00 65.14 C ATOM 720 CG TYR A 47 -1.449 -4.676 -7.828 1.00 25.01 C ATOM 721 CD1 TYR A 47 -2.672 -5.128 -7.346 1.00 41.14 C ATOM 722 CD2 TYR A 47 -1.451 -3.837 -8.935 1.00 74.31 C ATOM 723 CE1 TYR A 47 -3.858 -4.757 -7.948 1.00 74.01 C ATOM 724 CE2 TYR A 47 -2.633 -3.459 -9.543 1.00 52.21 C ATOM 725 CZ TYR A 47 -3.833 -3.923 -9.046 1.00 14.44 C ATOM 726 OH TYR A 47 -5.013 -3.549 -9.648 1.00 33.32 O ATOM 0 H TYR A 47 1.560 -7.354 -5.824 1.00 24.40 H new ATOM 0 HA TYR A 47 -0.984 -7.063 -7.017 1.00 51.55 H new ATOM 0 HB2 TYR A 47 -0.094 -4.620 -6.182 1.00 65.14 H new ATOM 0 HB3 TYR A 47 0.682 -4.701 -7.751 1.00 65.14 H new ATOM 0 HD1 TYR A 47 -2.695 -5.781 -6.486 1.00 41.14 H new ATOM 0 HD2 TYR A 47 -0.513 -3.474 -9.327 1.00 74.31 H new ATOM 0 HE1 TYR A 47 -4.800 -5.118 -7.561 1.00 74.01 H new ATOM 0 HE2 TYR A 47 -2.617 -2.804 -10.402 1.00 52.21 H new ATOM 0 HH TYR A 47 -4.821 -2.959 -10.407 1.00 33.32 H new ATOM 735 N ASP A 48 0.250 -8.170 -8.841 1.00 32.02 N ATOM 736 CA ASP A 48 0.912 -8.797 -9.979 1.00 30.04 C ATOM 737 C ASP A 48 0.073 -8.651 -11.244 1.00 1.32 C ATOM 738 O ASP A 48 -0.762 -9.501 -11.549 1.00 51.02 O ATOM 739 CB ASP A 48 1.173 -10.277 -9.693 1.00 33.12 C ATOM 740 CG ASP A 48 2.350 -10.819 -10.478 1.00 55.15 C ATOM 741 OD1 ASP A 48 3.498 -10.659 -10.012 1.00 5.43 O ATOM 742 OD2 ASP A 48 2.125 -11.402 -11.559 1.00 63.52 O ATOM 0 H ASP A 48 -0.659 -8.570 -8.610 1.00 32.02 H new ATOM 0 HA ASP A 48 1.865 -8.292 -10.137 1.00 30.04 H new ATOM 0 HB2 ASP A 48 1.358 -10.411 -8.627 1.00 33.12 H new ATOM 0 HB3 ASP A 48 0.281 -10.854 -9.937 1.00 33.12 H new ATOM 746 N GLY A 49 0.299 -7.565 -11.977 1.00 72.44 N ATOM 747 CA GLY A 49 -0.444 -7.326 -13.201 1.00 0.51 C ATOM 748 C GLY A 49 -1.780 -6.657 -12.945 1.00 23.05 C ATOM 749 O GLY A 49 -1.871 -5.431 -12.909 1.00 52.30 O ATOM 0 H GLY A 49 0.984 -6.846 -11.745 1.00 72.44 H new ATOM 0 HA2 GLY A 49 0.150 -6.701 -13.867 1.00 0.51 H new ATOM 0 HA3 GLY A 49 -0.608 -8.274 -13.714 1.00 0.51 H new ATOM 753 N ASN A 50 -2.821 -7.465 -12.769 1.00 63.45 N ATOM 754 CA ASN A 50 -4.159 -6.944 -12.518 1.00 21.40 C ATOM 755 C ASN A 50 -4.671 -7.395 -11.154 1.00 4.30 C ATOM 756 O ASN A 50 -5.524 -6.742 -10.553 1.00 22.32 O ATOM 757 CB ASN A 50 -5.122 -7.405 -13.614 1.00 24.41 C ATOM 758 CG ASN A 50 -4.635 -7.037 -15.004 1.00 3.52 C ATOM 759 OD1 ASN A 50 -4.357 -5.872 -15.287 1.00 44.24 O ATOM 760 ND2 ASN A 50 -4.532 -8.032 -15.877 1.00 45.51 N ATOM 0 H ASN A 50 -2.763 -8.483 -12.796 1.00 63.45 H new ATOM 0 HA ASN A 50 -4.105 -5.855 -12.525 1.00 21.40 H new ATOM 0 HB2 ASN A 50 -5.250 -8.486 -13.551 1.00 24.41 H new ATOM 0 HB3 ASN A 50 -6.102 -6.958 -13.445 1.00 24.41 H new ATOM 0 HD21 ASN A 50 -4.211 -7.846 -16.827 1.00 45.51 H new ATOM 0 HD22 ASN A 50 -4.774 -8.983 -15.598 1.00 45.51 H new ATOM 766 N ASN A 51 -4.144 -8.515 -10.670 1.00 3.23 N ATOM 767 CA ASN A 51 -4.548 -9.053 -9.376 1.00 21.01 C ATOM 768 C ASN A 51 -3.337 -9.553 -8.593 1.00 23.13 C ATOM 769 O ASN A 51 -2.262 -9.760 -9.157 1.00 1.13 O ATOM 770 CB ASN A 51 -5.553 -10.192 -9.565 1.00 35.42 C ATOM 771 CG ASN A 51 -6.898 -9.698 -10.066 1.00 70.45 C ATOM 772 OD1 ASN A 51 -7.249 -9.895 -11.229 1.00 35.21 O ATOM 773 ND2 ASN A 51 -7.656 -9.054 -9.187 1.00 71.33 N ATOM 0 H ASN A 51 -3.436 -9.068 -11.154 1.00 3.23 H new ATOM 0 HA ASN A 51 -5.020 -8.251 -8.808 1.00 21.01 H new ATOM 0 HB2 ASN A 51 -5.149 -10.917 -10.272 1.00 35.42 H new ATOM 0 HB3 ASN A 51 -5.690 -10.713 -8.618 1.00 35.42 H new ATOM 0 HD21 ASN A 51 -8.571 -8.699 -9.466 1.00 71.33 H new ATOM 0 HD22 ASN A 51 -7.324 -8.914 -8.233 1.00 71.33 H new ATOM 779 N LEU A 52 -3.521 -9.746 -7.292 1.00 43.35 N ATOM 780 CA LEU A 52 -2.444 -10.224 -6.430 1.00 20.14 C ATOM 781 C LEU A 52 -1.794 -11.474 -7.015 1.00 55.15 C ATOM 782 O LEU A 52 -2.346 -12.114 -7.909 1.00 51.21 O ATOM 783 CB LEU A 52 -2.980 -10.521 -5.029 1.00 41.01 C ATOM 784 CG LEU A 52 -3.688 -9.365 -4.322 1.00 31.45 C ATOM 785 CD1 LEU A 52 -3.176 -8.029 -4.839 1.00 2.13 C ATOM 786 CD2 LEU A 52 -5.195 -9.469 -4.508 1.00 63.41 C ATOM 0 H LEU A 52 -4.405 -9.579 -6.810 1.00 43.35 H new ATOM 0 HA LEU A 52 -1.689 -9.441 -6.364 1.00 20.14 H new ATOM 0 HB2 LEU A 52 -3.674 -11.358 -5.097 1.00 41.01 H new ATOM 0 HB3 LEU A 52 -2.148 -10.847 -4.405 1.00 41.01 H new ATOM 0 HG LEU A 52 -3.468 -9.427 -3.256 1.00 31.45 H new ATOM 0 HD11 LEU A 52 -3.691 -7.218 -4.324 1.00 2.13 H new ATOM 0 HD12 LEU A 52 -2.105 -7.954 -4.654 1.00 2.13 H new ATOM 0 HD13 LEU A 52 -3.365 -7.957 -5.910 1.00 2.13 H new ATOM 0 HD21 LEU A 52 -5.683 -8.638 -3.998 1.00 63.41 H new ATOM 0 HD22 LEU A 52 -5.434 -9.433 -5.571 1.00 63.41 H new ATOM 0 HD23 LEU A 52 -5.549 -10.410 -4.088 1.00 63.41 H new ATOM 797 N PHE A 53 -0.617 -11.816 -6.501 1.00 52.14 N ATOM 798 CA PHE A 53 0.110 -12.990 -6.969 1.00 20.22 C ATOM 799 C PHE A 53 -0.474 -14.267 -6.370 1.00 33.43 C ATOM 800 O PHE A 53 -1.018 -15.109 -7.084 1.00 73.34 O ATOM 801 CB PHE A 53 1.593 -12.877 -6.610 1.00 51.33 C ATOM 802 CG PHE A 53 2.390 -14.101 -6.958 1.00 71.21 C ATOM 803 CD1 PHE A 53 2.334 -14.640 -8.233 1.00 61.52 C ATOM 804 CD2 PHE A 53 3.194 -14.714 -6.011 1.00 13.11 C ATOM 805 CE1 PHE A 53 3.067 -15.766 -8.558 1.00 61.23 C ATOM 806 CE2 PHE A 53 3.929 -15.839 -6.330 1.00 41.53 C ATOM 807 CZ PHE A 53 3.865 -16.367 -7.604 1.00 25.24 C ATOM 0 H PHE A 53 -0.146 -11.296 -5.760 1.00 52.14 H new ATOM 0 HA PHE A 53 0.009 -13.039 -8.053 1.00 20.22 H new ATOM 0 HB2 PHE A 53 2.019 -12.017 -7.127 1.00 51.33 H new ATOM 0 HB3 PHE A 53 1.686 -12.685 -5.541 1.00 51.33 H new ATOM 0 HD1 PHE A 53 1.710 -14.175 -8.982 1.00 61.52 H new ATOM 0 HD2 PHE A 53 3.247 -14.308 -5.012 1.00 13.11 H new ATOM 0 HE1 PHE A 53 3.016 -16.175 -9.556 1.00 61.23 H new ATOM 0 HE2 PHE A 53 4.554 -16.306 -5.583 1.00 41.53 H new ATOM 0 HZ PHE A 53 4.438 -17.248 -7.854 1.00 25.24 H new ATOM 816 N LYS A 54 -0.357 -14.402 -5.053 1.00 20.43 N ATOM 817 CA LYS A 54 -0.873 -15.574 -4.356 1.00 73.34 C ATOM 818 C LYS A 54 -2.331 -15.371 -3.956 1.00 72.32 C ATOM 819 O LYS A 54 -3.190 -16.194 -4.268 1.00 41.44 O ATOM 820 CB LYS A 54 -0.029 -15.866 -3.113 1.00 73.11 C ATOM 821 CG LYS A 54 0.032 -14.706 -2.133 1.00 43.32 C ATOM 822 CD LYS A 54 1.226 -14.826 -1.201 1.00 23.00 C ATOM 823 CE LYS A 54 2.520 -14.445 -1.902 1.00 15.42 C ATOM 824 NZ LYS A 54 3.704 -14.619 -1.015 1.00 2.22 N ATOM 0 H LYS A 54 0.091 -13.714 -4.447 1.00 20.43 H new ATOM 0 HA LYS A 54 -0.816 -16.424 -5.036 1.00 73.34 H new ATOM 0 HB2 LYS A 54 -0.437 -16.740 -2.604 1.00 73.11 H new ATOM 0 HB3 LYS A 54 0.984 -16.122 -3.424 1.00 73.11 H new ATOM 0 HG2 LYS A 54 0.091 -13.767 -2.683 1.00 43.32 H new ATOM 0 HG3 LYS A 54 -0.887 -14.675 -1.547 1.00 43.32 H new ATOM 0 HD2 LYS A 54 1.078 -14.183 -0.333 1.00 23.00 H new ATOM 0 HD3 LYS A 54 1.299 -15.849 -0.831 1.00 23.00 H new ATOM 0 HE2 LYS A 54 2.643 -15.057 -2.796 1.00 15.42 H new ATOM 0 HE3 LYS A 54 2.463 -13.408 -2.232 1.00 15.42 H new ATOM 0 HZ1 LYS A 54 4.575 -14.480 -1.567 1.00 2.22 H new ATOM 0 HZ2 LYS A 54 3.667 -13.920 -0.245 1.00 2.22 H new ATOM 0 HZ3 LYS A 54 3.698 -15.578 -0.613 1.00 2.22 H new ATOM 834 N ASN A 55 -2.603 -14.267 -3.266 1.00 25.44 N ATOM 835 CA ASN A 55 -3.958 -13.956 -2.826 1.00 11.21 C ATOM 836 C ASN A 55 -3.939 -12.959 -1.671 1.00 71.42 C ATOM 837 O ASN A 55 -4.663 -13.116 -0.689 1.00 31.15 O ATOM 838 CB ASN A 55 -4.683 -15.234 -2.399 1.00 33.05 C ATOM 839 CG ASN A 55 -5.700 -15.691 -3.426 1.00 23.15 C ATOM 840 OD1 ASN A 55 -5.705 -16.851 -3.838 1.00 25.10 O ATOM 841 ND2 ASN A 55 -6.570 -14.779 -3.846 1.00 70.02 N ATOM 0 H ASN A 55 -1.903 -13.574 -3.000 1.00 25.44 H new ATOM 0 HA ASN A 55 -4.491 -13.506 -3.663 1.00 11.21 H new ATOM 0 HB2 ASN A 55 -3.952 -16.026 -2.237 1.00 33.05 H new ATOM 0 HB3 ASN A 55 -5.184 -15.063 -1.446 1.00 33.05 H new ATOM 0 HD21 ASN A 55 -7.278 -15.029 -4.536 1.00 70.02 H new ATOM 0 HD22 ASN A 55 -6.530 -13.829 -3.478 1.00 70.02 H new ATOM 847 N VAL A 56 -3.103 -11.932 -1.797 1.00 12.04 N ATOM 848 CA VAL A 56 -2.990 -10.907 -0.766 1.00 4.01 C ATOM 849 C VAL A 56 -4.278 -10.099 -0.651 1.00 51.33 C ATOM 850 O VAL A 56 -4.917 -9.783 -1.656 1.00 41.33 O ATOM 851 CB VAL A 56 -1.820 -9.950 -1.053 1.00 34.54 C ATOM 852 CG1 VAL A 56 -1.480 -9.135 0.187 1.00 61.41 C ATOM 853 CG2 VAL A 56 -0.606 -10.724 -1.542 1.00 62.53 C ATOM 0 H VAL A 56 -2.494 -11.788 -2.603 1.00 12.04 H new ATOM 0 HA VAL A 56 -2.804 -11.424 0.176 1.00 4.01 H new ATOM 0 HB VAL A 56 -2.123 -9.260 -1.840 1.00 34.54 H new ATOM 0 HG11 VAL A 56 -0.650 -8.464 -0.035 1.00 61.41 H new ATOM 0 HG12 VAL A 56 -2.349 -8.550 0.488 1.00 61.41 H new ATOM 0 HG13 VAL A 56 -1.197 -9.807 0.997 1.00 61.41 H new ATOM 0 HG21 VAL A 56 0.212 -10.031 -1.740 1.00 62.53 H new ATOM 0 HG22 VAL A 56 -0.299 -11.439 -0.779 1.00 62.53 H new ATOM 0 HG23 VAL A 56 -0.859 -11.257 -2.458 1.00 62.53 H new ATOM 863 N ILE A 57 -4.654 -9.767 0.579 1.00 53.01 N ATOM 864 CA ILE A 57 -5.864 -8.993 0.825 1.00 45.33 C ATOM 865 C ILE A 57 -5.562 -7.745 1.648 1.00 41.12 C ATOM 866 O ILE A 57 -5.274 -7.831 2.842 1.00 62.41 O ATOM 867 CB ILE A 57 -6.928 -9.832 1.559 1.00 31.41 C ATOM 868 CG1 ILE A 57 -7.255 -11.093 0.757 1.00 43.15 C ATOM 869 CG2 ILE A 57 -8.185 -9.006 1.792 1.00 54.05 C ATOM 870 CD1 ILE A 57 -7.669 -12.266 1.619 1.00 43.32 C ATOM 0 H ILE A 57 -4.138 -10.022 1.421 1.00 53.01 H new ATOM 0 HA ILE A 57 -6.253 -8.697 -0.149 1.00 45.33 H new ATOM 0 HB ILE A 57 -6.529 -10.132 2.528 1.00 31.41 H new ATOM 0 HG12 ILE A 57 -8.057 -10.869 0.053 1.00 43.15 H new ATOM 0 HG13 ILE A 57 -6.383 -11.375 0.167 1.00 43.15 H new ATOM 0 HG21 ILE A 57 -8.927 -9.612 2.311 1.00 54.05 H new ATOM 0 HG22 ILE A 57 -7.940 -8.134 2.398 1.00 54.05 H new ATOM 0 HG23 ILE A 57 -8.589 -8.680 0.834 1.00 54.05 H new ATOM 0 HD11 ILE A 57 -7.886 -13.125 0.984 1.00 43.32 H new ATOM 0 HD12 ILE A 57 -6.860 -12.517 2.305 1.00 43.32 H new ATOM 0 HD13 ILE A 57 -8.560 -12.002 2.189 1.00 43.32 H new ATOM 881 N ILE A 58 -5.631 -6.586 1.001 1.00 62.24 N ATOM 882 CA ILE A 58 -5.367 -5.320 1.674 1.00 22.22 C ATOM 883 C ILE A 58 -6.557 -4.374 1.549 1.00 62.23 C ATOM 884 O ILE A 58 -7.142 -4.234 0.475 1.00 31.24 O ATOM 885 CB ILE A 58 -4.114 -4.631 1.103 1.00 13.24 C ATOM 886 CG1 ILE A 58 -4.238 -3.111 1.232 1.00 10.42 C ATOM 887 CG2 ILE A 58 -3.906 -5.028 -0.351 1.00 2.23 C ATOM 888 CD1 ILE A 58 -2.950 -2.372 0.946 1.00 61.32 C ATOM 0 H ILE A 58 -5.867 -6.498 0.013 1.00 62.24 H new ATOM 0 HA ILE A 58 -5.197 -5.549 2.726 1.00 22.22 H new ATOM 0 HB ILE A 58 -3.246 -4.957 1.676 1.00 13.24 H new ATOM 0 HG12 ILE A 58 -5.009 -2.758 0.547 1.00 10.42 H new ATOM 0 HG13 ILE A 58 -4.571 -2.866 2.241 1.00 10.42 H new ATOM 0 HG21 ILE A 58 -3.016 -4.533 -0.740 1.00 2.23 H new ATOM 0 HG22 ILE A 58 -3.778 -6.108 -0.418 1.00 2.23 H new ATOM 0 HG23 ILE A 58 -4.774 -4.728 -0.938 1.00 2.23 H new ATOM 0 HD11 ILE A 58 -3.113 -1.300 1.057 1.00 61.32 H new ATOM 0 HD12 ILE A 58 -2.181 -2.696 1.647 1.00 61.32 H new ATOM 0 HD13 ILE A 58 -2.626 -2.586 -0.072 1.00 61.32 H new ATOM 899 N LEU A 59 -6.906 -3.725 2.654 1.00 3.15 N ATOM 900 CA LEU A 59 -8.026 -2.789 2.668 1.00 71.12 C ATOM 901 C LEU A 59 -7.542 -1.366 2.930 1.00 55.14 C ATOM 902 O LEU A 59 -6.424 -1.156 3.403 1.00 21.24 O ATOM 903 CB LEU A 59 -9.044 -3.197 3.733 1.00 42.35 C ATOM 904 CG LEU A 59 -10.049 -4.273 3.323 1.00 4.24 C ATOM 905 CD1 LEU A 59 -10.696 -4.896 4.551 1.00 31.22 C ATOM 906 CD2 LEU A 59 -11.109 -3.690 2.399 1.00 40.14 C ATOM 0 H LEU A 59 -6.431 -3.829 3.551 1.00 3.15 H new ATOM 0 HA LEU A 59 -8.503 -2.817 1.689 1.00 71.12 H new ATOM 0 HB2 LEU A 59 -8.501 -3.550 4.610 1.00 42.35 H new ATOM 0 HB3 LEU A 59 -9.597 -2.309 4.038 1.00 42.35 H new ATOM 0 HG LEU A 59 -9.514 -5.054 2.783 1.00 4.24 H new ATOM 0 HD11 LEU A 59 -11.408 -5.660 4.239 1.00 31.22 H new ATOM 0 HD12 LEU A 59 -9.927 -5.350 5.176 1.00 31.22 H new ATOM 0 HD13 LEU A 59 -11.216 -4.125 5.119 1.00 31.22 H new ATOM 0 HD21 LEU A 59 -11.816 -4.471 2.118 1.00 40.14 H new ATOM 0 HD22 LEU A 59 -11.639 -2.889 2.914 1.00 40.14 H new ATOM 0 HD23 LEU A 59 -10.632 -3.292 1.503 1.00 40.14 H new ATOM 917 N VAL A 60 -8.392 -0.391 2.622 1.00 71.34 N ATOM 918 CA VAL A 60 -8.052 1.011 2.827 1.00 13.04 C ATOM 919 C VAL A 60 -9.207 1.767 3.476 1.00 21.53 C ATOM 920 O VAL A 60 -10.303 1.840 2.922 1.00 34.42 O ATOM 921 CB VAL A 60 -7.685 1.700 1.500 1.00 62.32 C ATOM 922 CG1 VAL A 60 -7.385 3.174 1.727 1.00 4.41 C ATOM 923 CG2 VAL A 60 -6.501 1.001 0.848 1.00 75.42 C ATOM 0 H VAL A 60 -9.321 -0.547 2.230 1.00 71.34 H new ATOM 0 HA VAL A 60 -7.187 1.033 3.490 1.00 13.04 H new ATOM 0 HB VAL A 60 -8.538 1.628 0.825 1.00 62.32 H new ATOM 0 HG11 VAL A 60 -7.128 3.643 0.777 1.00 4.41 H new ATOM 0 HG12 VAL A 60 -8.263 3.664 2.148 1.00 4.41 H new ATOM 0 HG13 VAL A 60 -6.549 3.273 2.419 1.00 4.41 H new ATOM 0 HG21 VAL A 60 -6.254 1.500 -0.089 1.00 75.42 H new ATOM 0 HG22 VAL A 60 -5.642 1.040 1.517 1.00 75.42 H new ATOM 0 HG23 VAL A 60 -6.758 -0.039 0.648 1.00 75.42 H new ATOM 933 N ASN A 61 -8.953 2.328 4.654 1.00 33.51 N ATOM 934 CA ASN A 61 -9.972 3.079 5.378 1.00 72.12 C ATOM 935 C ASN A 61 -11.206 2.219 5.629 1.00 24.21 C ATOM 936 O ASN A 61 -12.338 2.686 5.506 1.00 74.14 O ATOM 937 CB ASN A 61 -10.362 4.335 4.596 1.00 12.11 C ATOM 938 CG ASN A 61 -10.923 5.423 5.493 1.00 72.45 C ATOM 939 OD1 ASN A 61 -11.070 5.234 6.700 1.00 25.32 O ATOM 940 ND2 ASN A 61 -11.238 6.571 4.903 1.00 65.21 N ATOM 0 H ASN A 61 -8.051 2.277 5.127 1.00 33.51 H new ATOM 0 HA ASN A 61 -9.555 3.374 6.341 1.00 72.12 H new ATOM 0 HB2 ASN A 61 -9.488 4.717 4.068 1.00 12.11 H new ATOM 0 HB3 ASN A 61 -11.102 4.074 3.840 1.00 12.11 H new ATOM 0 HD21 ASN A 61 -11.619 7.340 5.454 1.00 65.21 H new ATOM 0 HD22 ASN A 61 -11.099 6.683 3.899 1.00 65.21 H new ATOM 946 N GLY A 62 -10.980 0.957 5.982 1.00 22.11 N ATOM 947 CA GLY A 62 -12.082 0.051 6.245 1.00 21.33 C ATOM 948 C GLY A 62 -12.949 -0.177 5.022 1.00 2.41 C ATOM 949 O GLY A 62 -14.172 -0.254 5.126 1.00 15.24 O ATOM 0 H GLY A 62 -10.053 0.546 6.090 1.00 22.11 H new ATOM 0 HA2 GLY A 62 -11.688 -0.905 6.591 1.00 21.33 H new ATOM 0 HA3 GLY A 62 -12.695 0.454 7.051 1.00 21.33 H new ATOM 953 N ASN A 63 -12.313 -0.287 3.860 1.00 35.54 N ATOM 954 CA ASN A 63 -13.036 -0.505 2.612 1.00 64.55 C ATOM 955 C ASN A 63 -12.065 -0.725 1.455 1.00 20.44 C ATOM 956 O ASN A 63 -10.910 -0.308 1.512 1.00 62.45 O ATOM 957 CB ASN A 63 -13.946 0.686 2.309 1.00 12.14 C ATOM 958 CG ASN A 63 -14.736 0.499 1.028 1.00 3.00 C ATOM 959 OD1 ASN A 63 -14.565 1.248 0.066 1.00 42.13 O ATOM 960 ND2 ASN A 63 -15.608 -0.502 1.012 1.00 64.02 N ATOM 0 H ASN A 63 -11.300 -0.229 3.757 1.00 35.54 H new ATOM 0 HA ASN A 63 -13.648 -1.400 2.727 1.00 64.55 H new ATOM 0 HB2 ASN A 63 -14.636 0.833 3.140 1.00 12.14 H new ATOM 0 HB3 ASN A 63 -13.343 1.590 2.232 1.00 12.14 H new ATOM 0 HD21 ASN A 63 -16.170 -0.676 0.179 1.00 64.02 H new ATOM 0 HD22 ASN A 63 -15.716 -1.097 1.833 1.00 64.02 H new ATOM 966 N ASN A 64 -12.546 -1.382 0.403 1.00 74.11 N ATOM 967 CA ASN A 64 -11.723 -1.656 -0.768 1.00 64.51 C ATOM 968 C ASN A 64 -11.840 -0.532 -1.792 1.00 34.24 C ATOM 969 O ASN A 64 -12.941 -0.172 -2.211 1.00 62.44 O ATOM 970 CB ASN A 64 -12.132 -2.986 -1.406 1.00 11.43 C ATOM 971 CG ASN A 64 -13.610 -3.032 -1.747 1.00 55.15 C ATOM 972 OD1 ASN A 64 -14.012 -2.698 -2.862 1.00 52.21 O ATOM 973 ND2 ASN A 64 -14.426 -3.447 -0.785 1.00 1.24 N ATOM 0 H ASN A 64 -13.501 -1.734 0.339 1.00 74.11 H new ATOM 0 HA ASN A 64 -10.685 -1.720 -0.443 1.00 64.51 H new ATOM 0 HB2 ASN A 64 -11.547 -3.147 -2.312 1.00 11.43 H new ATOM 0 HB3 ASN A 64 -11.893 -3.802 -0.724 1.00 11.43 H new ATOM 0 HD21 ASN A 64 -15.430 -3.499 -0.955 1.00 1.24 H new ATOM 0 HD22 ASN A 64 -14.048 -3.714 0.124 1.00 1.24 H new ATOM 979 N ILE A 65 -10.699 0.021 -2.190 1.00 45.03 N ATOM 980 CA ILE A 65 -10.673 1.104 -3.166 1.00 41.04 C ATOM 981 C ILE A 65 -11.390 0.703 -4.450 1.00 22.03 C ATOM 982 O ILE A 65 -11.976 1.542 -5.135 1.00 64.31 O ATOM 983 CB ILE A 65 -9.230 1.521 -3.505 1.00 34.43 C ATOM 984 CG1 ILE A 65 -8.497 0.378 -4.209 1.00 64.12 C ATOM 985 CG2 ILE A 65 -8.488 1.937 -2.244 1.00 13.34 C ATOM 986 CD1 ILE A 65 -7.062 0.704 -4.558 1.00 23.15 C ATOM 0 H ILE A 65 -9.780 -0.263 -1.851 1.00 45.03 H new ATOM 0 HA ILE A 65 -11.190 1.950 -2.713 1.00 41.04 H new ATOM 0 HB ILE A 65 -9.264 2.376 -4.181 1.00 34.43 H new ATOM 0 HG12 ILE A 65 -8.515 -0.504 -3.568 1.00 64.12 H new ATOM 0 HG13 ILE A 65 -9.035 0.120 -5.121 1.00 64.12 H new ATOM 0 HG21 ILE A 65 -7.470 2.229 -2.501 1.00 13.34 H new ATOM 0 HG22 ILE A 65 -9.001 2.780 -1.781 1.00 13.34 H new ATOM 0 HG23 ILE A 65 -8.461 1.101 -1.545 1.00 13.34 H new ATOM 0 HD11 ILE A 65 -6.605 -0.152 -5.054 1.00 23.15 H new ATOM 0 HD12 ILE A 65 -7.036 1.566 -5.224 1.00 23.15 H new ATOM 0 HD13 ILE A 65 -6.509 0.933 -3.647 1.00 23.15 H new ATOM 997 N THR A 66 -11.342 -0.586 -4.771 1.00 21.45 N ATOM 998 CA THR A 66 -11.988 -1.099 -5.972 1.00 21.25 C ATOM 999 C THR A 66 -13.480 -0.787 -5.972 1.00 43.21 C ATOM 1000 O THR A 66 -14.101 -0.673 -7.028 1.00 72.41 O ATOM 1001 CB THR A 66 -11.793 -2.622 -6.109 1.00 34.23 C ATOM 1002 OG1 THR A 66 -12.584 -3.305 -5.130 1.00 62.30 O ATOM 1003 CG2 THR A 66 -10.329 -2.997 -5.939 1.00 5.34 C ATOM 0 H THR A 66 -10.862 -1.294 -4.215 1.00 21.45 H new ATOM 0 HA THR A 66 -11.517 -0.602 -6.820 1.00 21.25 H new ATOM 0 HB THR A 66 -12.113 -2.920 -7.107 1.00 34.23 H new ATOM 0 HG1 THR A 66 -12.793 -2.693 -4.393 1.00 62.30 H new ATOM 0 HG21 THR A 66 -10.216 -4.076 -6.040 1.00 5.34 H new ATOM 0 HG22 THR A 66 -9.734 -2.497 -6.703 1.00 5.34 H new ATOM 0 HG23 THR A 66 -9.986 -2.687 -4.952 1.00 5.34 H new ATOM 1011 N SER A 67 -14.050 -0.649 -4.778 1.00 64.41 N ATOM 1012 CA SER A 67 -15.471 -0.354 -4.640 1.00 74.30 C ATOM 1013 C SER A 67 -15.870 0.822 -5.528 1.00 44.53 C ATOM 1014 O SER A 67 -16.892 0.777 -6.212 1.00 71.04 O ATOM 1015 CB SER A 67 -15.809 -0.043 -3.180 1.00 34.45 C ATOM 1016 OG SER A 67 -17.123 0.475 -3.061 1.00 41.34 O ATOM 0 H SER A 67 -13.549 -0.737 -3.894 1.00 64.41 H new ATOM 0 HA SER A 67 -16.032 -1.233 -4.956 1.00 74.30 H new ATOM 0 HB2 SER A 67 -15.716 -0.949 -2.581 1.00 34.45 H new ATOM 0 HB3 SER A 67 -15.093 0.677 -2.783 1.00 34.45 H new ATOM 0 HG SER A 67 -17.316 0.664 -2.119 1.00 41.34 H new ATOM 1021 N MET A 68 -15.055 1.871 -5.510 1.00 33.34 N ATOM 1022 CA MET A 68 -15.323 3.059 -6.315 1.00 45.34 C ATOM 1023 C MET A 68 -14.178 3.325 -7.287 1.00 63.44 C ATOM 1024 O MET A 68 -14.298 3.073 -8.487 1.00 63.33 O ATOM 1025 CB MET A 68 -15.533 4.275 -5.412 1.00 32.34 C ATOM 1026 CG MET A 68 -14.960 4.103 -4.016 1.00 42.44 C ATOM 1027 SD MET A 68 -15.202 5.558 -2.980 1.00 52.01 S ATOM 1028 CE MET A 68 -16.751 5.149 -2.177 1.00 34.33 C ATOM 0 H MET A 68 -14.205 1.924 -4.949 1.00 33.34 H new ATOM 0 HA MET A 68 -16.232 2.881 -6.890 1.00 45.34 H new ATOM 0 HB2 MET A 68 -15.075 5.147 -5.879 1.00 32.34 H new ATOM 0 HB3 MET A 68 -16.601 4.479 -5.335 1.00 32.34 H new ATOM 0 HG2 MET A 68 -15.427 3.241 -3.540 1.00 42.44 H new ATOM 0 HG3 MET A 68 -13.894 3.888 -4.089 1.00 42.44 H new ATOM 0 HE1 MET A 68 -17.035 5.956 -1.501 1.00 34.33 H new ATOM 0 HE2 MET A 68 -17.528 5.017 -2.930 1.00 34.33 H new ATOM 0 HE3 MET A 68 -16.634 4.225 -1.610 1.00 34.33 H new ATOM 1036 N LYS A 69 -13.069 3.836 -6.764 1.00 44.53 N ATOM 1037 CA LYS A 69 -11.902 4.135 -7.584 1.00 22.44 C ATOM 1038 C LYS A 69 -10.666 3.410 -7.060 1.00 22.21 C ATOM 1039 O LYS A 69 -10.376 3.444 -5.866 1.00 44.45 O ATOM 1040 CB LYS A 69 -11.647 5.644 -7.614 1.00 2.21 C ATOM 1041 CG LYS A 69 -12.494 6.384 -8.634 1.00 72.51 C ATOM 1042 CD LYS A 69 -12.302 7.888 -8.533 1.00 1.31 C ATOM 1043 CE LYS A 69 -11.874 8.486 -9.864 1.00 21.21 C ATOM 1044 NZ LYS A 69 -13.035 8.713 -10.769 1.00 1.25 N ATOM 0 H LYS A 69 -12.954 4.052 -5.774 1.00 44.53 H new ATOM 0 HA LYS A 69 -12.103 3.786 -8.597 1.00 22.44 H new ATOM 0 HB2 LYS A 69 -11.842 6.057 -6.624 1.00 2.21 H new ATOM 0 HB3 LYS A 69 -10.594 5.822 -7.831 1.00 2.21 H new ATOM 0 HG2 LYS A 69 -12.231 6.049 -9.638 1.00 72.51 H new ATOM 0 HG3 LYS A 69 -13.545 6.139 -8.481 1.00 72.51 H new ATOM 0 HD2 LYS A 69 -13.232 8.353 -8.206 1.00 1.31 H new ATOM 0 HD3 LYS A 69 -11.551 8.110 -7.775 1.00 1.31 H new ATOM 0 HE2 LYS A 69 -11.360 9.431 -9.689 1.00 21.21 H new ATOM 0 HE3 LYS A 69 -11.160 7.820 -10.349 1.00 21.21 H new ATOM 0 HZ1 LYS A 69 -12.702 9.121 -11.666 1.00 1.25 H new ATOM 0 HZ2 LYS A 69 -13.511 7.808 -10.957 1.00 1.25 H new ATOM 0 HZ3 LYS A 69 -13.704 9.369 -10.317 1.00 1.25 H new ATOM 1054 N GLY A 70 -9.941 2.756 -7.962 1.00 22.12 N ATOM 1055 CA GLY A 70 -8.745 2.033 -7.571 1.00 54.50 C ATOM 1056 C GLY A 70 -7.714 2.931 -6.918 1.00 72.51 C ATOM 1057 O GLY A 70 -7.813 3.244 -5.731 1.00 51.42 O ATOM 0 H GLY A 70 -10.161 2.714 -8.957 1.00 22.12 H new ATOM 0 HA2 GLY A 70 -9.016 1.234 -6.881 1.00 54.50 H new ATOM 0 HA3 GLY A 70 -8.306 1.560 -8.450 1.00 54.50 H new ATOM 1061 N LEU A 71 -6.718 3.348 -7.694 1.00 51.32 N ATOM 1062 CA LEU A 71 -5.661 4.214 -7.184 1.00 35.24 C ATOM 1063 C LEU A 71 -6.153 5.652 -7.052 1.00 14.24 C ATOM 1064 O LEU A 71 -5.538 6.469 -6.366 1.00 32.40 O ATOM 1065 CB LEU A 71 -4.442 4.163 -8.106 1.00 63.20 C ATOM 1066 CG LEU A 71 -3.094 3.925 -7.424 1.00 4.02 C ATOM 1067 CD1 LEU A 71 -3.000 2.496 -6.914 1.00 51.31 C ATOM 1068 CD2 LEU A 71 -1.951 4.227 -8.382 1.00 30.02 C ATOM 0 H LEU A 71 -6.621 3.100 -8.679 1.00 51.32 H new ATOM 0 HA LEU A 71 -5.376 3.854 -6.196 1.00 35.24 H new ATOM 0 HB2 LEU A 71 -4.600 3.373 -8.840 1.00 63.20 H new ATOM 0 HB3 LEU A 71 -4.388 5.103 -8.656 1.00 63.20 H new ATOM 0 HG LEU A 71 -3.015 4.600 -6.572 1.00 4.02 H new ATOM 0 HD11 LEU A 71 -2.034 2.345 -6.432 1.00 51.31 H new ATOM 0 HD12 LEU A 71 -3.798 2.313 -6.194 1.00 51.31 H new ATOM 0 HD13 LEU A 71 -3.100 1.804 -7.750 1.00 51.31 H new ATOM 0 HD21 LEU A 71 -1.000 4.052 -7.880 1.00 30.02 H new ATOM 0 HD22 LEU A 71 -2.026 3.577 -9.254 1.00 30.02 H new ATOM 0 HD23 LEU A 71 -2.008 5.268 -8.699 1.00 30.02 H new ATOM 1079 N ASP A 72 -7.266 5.954 -7.712 1.00 21.32 N ATOM 1080 CA ASP A 72 -7.842 7.293 -7.666 1.00 14.24 C ATOM 1081 C ASP A 72 -8.547 7.536 -6.336 1.00 11.23 C ATOM 1082 O ASP A 72 -8.940 8.661 -6.025 1.00 10.40 O ATOM 1083 CB ASP A 72 -8.825 7.488 -8.822 1.00 51.20 C ATOM 1084 CG ASP A 72 -8.180 8.143 -10.027 1.00 45.31 C ATOM 1085 OD1 ASP A 72 -7.101 7.676 -10.448 1.00 73.41 O ATOM 1086 OD2 ASP A 72 -8.754 9.122 -10.548 1.00 73.42 O ATOM 0 H ASP A 72 -7.787 5.290 -8.285 1.00 21.32 H new ATOM 0 HA ASP A 72 -7.031 8.014 -7.763 1.00 14.24 H new ATOM 0 HB2 ASP A 72 -9.234 6.521 -9.114 1.00 51.20 H new ATOM 0 HB3 ASP A 72 -9.662 8.100 -8.484 1.00 51.20 H new ATOM 1090 N THR A 73 -8.705 6.473 -5.552 1.00 24.13 N ATOM 1091 CA THR A 73 -9.366 6.570 -4.257 1.00 72.21 C ATOM 1092 C THR A 73 -8.615 7.517 -3.328 1.00 41.33 C ATOM 1093 O THR A 73 -7.407 7.383 -3.135 1.00 32.10 O ATOM 1094 CB THR A 73 -9.481 5.191 -3.581 1.00 42.01 C ATOM 1095 OG1 THR A 73 -10.817 4.691 -3.713 1.00 3.01 O ATOM 1096 CG2 THR A 73 -9.110 5.276 -2.109 1.00 53.20 C ATOM 0 H THR A 73 -8.384 5.535 -5.792 1.00 24.13 H new ATOM 0 HA THR A 73 -10.367 6.961 -4.440 1.00 72.21 H new ATOM 0 HB THR A 73 -8.787 4.510 -4.075 1.00 42.01 H new ATOM 0 HG1 THR A 73 -10.851 4.037 -4.442 1.00 3.01 H new ATOM 0 HG21 THR A 73 -9.199 4.290 -1.654 1.00 53.20 H new ATOM 0 HG22 THR A 73 -8.083 5.629 -2.012 1.00 53.20 H new ATOM 0 HG23 THR A 73 -9.781 5.971 -1.604 1.00 53.20 H new ATOM 1104 N GLU A 74 -9.339 8.473 -2.753 1.00 21.24 N ATOM 1105 CA GLU A 74 -8.740 9.441 -1.843 1.00 15.02 C ATOM 1106 C GLU A 74 -8.548 8.838 -0.455 1.00 32.34 C ATOM 1107 O GLU A 74 -9.055 7.756 -0.162 1.00 3.25 O ATOM 1108 CB GLU A 74 -9.613 10.694 -1.750 1.00 34.24 C ATOM 1109 CG GLU A 74 -10.992 10.434 -1.168 1.00 32.14 C ATOM 1110 CD GLU A 74 -11.910 11.636 -1.281 1.00 41.42 C ATOM 1111 OE1 GLU A 74 -11.887 12.488 -0.368 1.00 24.33 O ATOM 1112 OE2 GLU A 74 -12.651 11.725 -2.283 1.00 41.23 O ATOM 0 H GLU A 74 -10.340 8.597 -2.902 1.00 21.24 H new ATOM 0 HA GLU A 74 -7.762 9.716 -2.239 1.00 15.02 H new ATOM 0 HB2 GLU A 74 -9.103 11.437 -1.136 1.00 34.24 H new ATOM 0 HB3 GLU A 74 -9.723 11.124 -2.745 1.00 34.24 H new ATOM 0 HG2 GLU A 74 -11.445 9.586 -1.682 1.00 32.14 H new ATOM 0 HG3 GLU A 74 -10.893 10.155 -0.119 1.00 32.14 H new ATOM 1117 N ILE A 75 -7.810 9.546 0.394 1.00 12.15 N ATOM 1118 CA ILE A 75 -7.551 9.081 1.752 1.00 32.53 C ATOM 1119 C ILE A 75 -7.384 10.254 2.711 1.00 11.31 C ATOM 1120 O ILE A 75 -6.637 11.193 2.438 1.00 43.42 O ATOM 1121 CB ILE A 75 -6.291 8.198 1.812 1.00 52.34 C ATOM 1122 CG1 ILE A 75 -5.171 8.811 0.969 1.00 41.01 C ATOM 1123 CG2 ILE A 75 -6.608 6.789 1.337 1.00 43.52 C ATOM 1124 CD1 ILE A 75 -3.815 8.190 1.223 1.00 10.23 C ATOM 0 H ILE A 75 -7.381 10.443 0.166 1.00 12.15 H new ATOM 0 HA ILE A 75 -8.414 8.488 2.055 1.00 32.53 H new ATOM 0 HB ILE A 75 -5.953 8.144 2.847 1.00 52.34 H new ATOM 0 HG12 ILE A 75 -5.420 8.701 -0.086 1.00 41.01 H new ATOM 0 HG13 ILE A 75 -5.116 9.880 1.174 1.00 41.01 H new ATOM 0 HG21 ILE A 75 -5.707 6.177 1.385 1.00 43.52 H new ATOM 0 HG22 ILE A 75 -7.377 6.354 1.976 1.00 43.52 H new ATOM 0 HG23 ILE A 75 -6.968 6.824 0.309 1.00 43.52 H new ATOM 0 HD11 ILE A 75 -3.069 8.673 0.592 1.00 10.23 H new ATOM 0 HD12 ILE A 75 -3.544 8.323 2.270 1.00 10.23 H new ATOM 0 HD13 ILE A 75 -3.853 7.126 0.990 1.00 10.23 H new ATOM 1135 N LYS A 76 -8.084 10.192 3.840 1.00 22.44 N ATOM 1136 CA LYS A 76 -8.013 11.246 4.844 1.00 72.51 C ATOM 1137 C LYS A 76 -7.088 10.846 5.988 1.00 42.22 C ATOM 1138 O LYS A 76 -6.660 9.695 6.079 1.00 30.52 O ATOM 1139 CB LYS A 76 -9.410 11.557 5.387 1.00 34.30 C ATOM 1140 CG LYS A 76 -10.187 10.321 5.807 1.00 54.31 C ATOM 1141 CD LYS A 76 -11.536 10.688 6.403 1.00 4.13 C ATOM 1142 CE LYS A 76 -11.380 11.512 7.672 1.00 61.00 C ATOM 1143 NZ LYS A 76 -12.414 11.169 8.687 1.00 73.10 N ATOM 0 H LYS A 76 -8.707 9.422 4.082 1.00 22.44 H new ATOM 0 HA LYS A 76 -7.608 12.139 4.369 1.00 72.51 H new ATOM 0 HB2 LYS A 76 -9.318 12.226 6.242 1.00 34.30 H new ATOM 0 HB3 LYS A 76 -9.977 12.091 4.624 1.00 34.30 H new ATOM 0 HG2 LYS A 76 -10.334 9.671 4.944 1.00 54.31 H new ATOM 0 HG3 LYS A 76 -9.607 9.756 6.537 1.00 54.31 H new ATOM 0 HD2 LYS A 76 -12.117 11.250 5.672 1.00 4.13 H new ATOM 0 HD3 LYS A 76 -12.096 9.780 6.625 1.00 4.13 H new ATOM 0 HE2 LYS A 76 -10.389 11.346 8.093 1.00 61.00 H new ATOM 0 HE3 LYS A 76 -11.449 12.572 7.427 1.00 61.00 H new ATOM 0 HZ1 LYS A 76 -12.253 11.728 9.549 1.00 73.10 H new ATOM 0 HZ2 LYS A 76 -13.358 11.383 8.307 1.00 73.10 H new ATOM 0 HZ3 LYS A 76 -12.354 10.156 8.915 1.00 73.10 H new ATOM 1153 N ASP A 77 -6.785 11.801 6.859 1.00 53.14 N ATOM 1154 CA ASP A 77 -5.912 11.546 8.000 1.00 34.24 C ATOM 1155 C ASP A 77 -6.439 10.387 8.839 1.00 73.02 C ATOM 1156 O ASP A 77 -5.672 9.689 9.502 1.00 41.04 O ATOM 1157 CB ASP A 77 -5.787 12.802 8.864 1.00 11.34 C ATOM 1158 CG ASP A 77 -7.098 13.186 9.521 1.00 21.42 C ATOM 1159 OD1 ASP A 77 -8.126 13.230 8.812 1.00 62.12 O ATOM 1160 OD2 ASP A 77 -7.098 13.444 10.742 1.00 52.44 O ATOM 0 H ASP A 77 -7.130 12.759 6.798 1.00 53.14 H new ATOM 0 HA ASP A 77 -4.927 11.277 7.619 1.00 34.24 H new ATOM 0 HB2 ASP A 77 -5.033 12.636 9.634 1.00 11.34 H new ATOM 0 HB3 ASP A 77 -5.437 13.630 8.248 1.00 11.34 H new ATOM 1164 N ASP A 78 -7.752 10.189 8.807 1.00 61.30 N ATOM 1165 CA ASP A 78 -8.382 9.115 9.565 1.00 24.50 C ATOM 1166 C ASP A 78 -8.226 7.778 8.846 1.00 61.21 C ATOM 1167 O ASP A 78 -8.246 6.719 9.472 1.00 43.05 O ATOM 1168 CB ASP A 78 -9.865 9.418 9.785 1.00 73.02 C ATOM 1169 CG ASP A 78 -10.441 8.664 10.967 1.00 1.32 C ATOM 1170 OD1 ASP A 78 -10.358 9.183 12.100 1.00 63.52 O ATOM 1171 OD2 ASP A 78 -10.975 7.553 10.761 1.00 34.55 O ATOM 0 H ASP A 78 -8.401 10.759 8.264 1.00 61.30 H new ATOM 0 HA ASP A 78 -7.885 9.048 10.533 1.00 24.50 H new ATOM 0 HB2 ASP A 78 -9.994 10.489 9.943 1.00 73.02 H new ATOM 0 HB3 ASP A 78 -10.423 9.159 8.885 1.00 73.02 H new ATOM 1175 N ASP A 79 -8.071 7.836 7.528 1.00 70.32 N ATOM 1176 CA ASP A 79 -7.910 6.631 6.722 1.00 40.53 C ATOM 1177 C ASP A 79 -6.818 5.734 7.298 1.00 11.34 C ATOM 1178 O ASP A 79 -5.845 6.217 7.878 1.00 63.32 O ATOM 1179 CB ASP A 79 -7.576 6.999 5.276 1.00 42.31 C ATOM 1180 CG ASP A 79 -6.092 6.893 4.980 1.00 14.14 C ATOM 1181 OD1 ASP A 79 -5.297 7.529 5.703 1.00 54.31 O ATOM 1182 OD2 ASP A 79 -5.728 6.176 4.025 1.00 73.21 O ATOM 0 H ASP A 79 -8.053 8.705 6.994 1.00 70.32 H new ATOM 0 HA ASP A 79 -8.852 6.083 6.740 1.00 40.53 H new ATOM 0 HB2 ASP A 79 -8.126 6.343 4.601 1.00 42.31 H new ATOM 0 HB3 ASP A 79 -7.912 8.017 5.076 1.00 42.31 H new ATOM 1186 N LYS A 80 -6.987 4.426 7.135 1.00 51.43 N ATOM 1187 CA LYS A 80 -6.017 3.461 7.638 1.00 55.43 C ATOM 1188 C LYS A 80 -5.927 2.250 6.716 1.00 43.40 C ATOM 1189 O LYS A 80 -6.939 1.628 6.393 1.00 63.42 O ATOM 1190 CB LYS A 80 -6.397 3.013 9.052 1.00 65.40 C ATOM 1191 CG LYS A 80 -7.096 4.089 9.864 1.00 23.31 C ATOM 1192 CD LYS A 80 -7.342 3.637 11.293 1.00 54.24 C ATOM 1193 CE LYS A 80 -7.481 4.823 12.236 1.00 0.13 C ATOM 1194 NZ LYS A 80 -6.173 5.491 12.484 1.00 44.55 N ATOM 0 H LYS A 80 -7.787 4.010 6.658 1.00 51.43 H new ATOM 0 HA LYS A 80 -5.041 3.946 7.668 1.00 55.43 H new ATOM 0 HB2 LYS A 80 -7.047 2.140 8.985 1.00 65.40 H new ATOM 0 HB3 LYS A 80 -5.496 2.700 9.579 1.00 65.40 H new ATOM 0 HG2 LYS A 80 -6.490 4.995 9.867 1.00 23.31 H new ATOM 0 HG3 LYS A 80 -8.046 4.342 9.393 1.00 23.31 H new ATOM 0 HD2 LYS A 80 -8.247 3.031 11.333 1.00 54.24 H new ATOM 0 HD3 LYS A 80 -6.519 3.003 11.622 1.00 54.24 H new ATOM 0 HE2 LYS A 80 -8.182 5.543 11.813 1.00 0.13 H new ATOM 0 HE3 LYS A 80 -7.902 4.486 13.183 1.00 0.13 H new ATOM 0 HZ1 LYS A 80 -6.250 6.106 13.319 1.00 44.55 H new ATOM 0 HZ2 LYS A 80 -5.441 4.771 12.650 1.00 44.55 H new ATOM 0 HZ3 LYS A 80 -5.913 6.064 11.656 1.00 44.55 H new ATOM 1204 N ILE A 81 -4.709 1.919 6.298 1.00 3.23 N ATOM 1205 CA ILE A 81 -4.489 0.780 5.415 1.00 61.11 C ATOM 1206 C ILE A 81 -3.907 -0.403 6.180 1.00 1.11 C ATOM 1207 O ILE A 81 -3.022 -0.238 7.021 1.00 62.20 O ATOM 1208 CB ILE A 81 -3.542 1.143 4.255 1.00 43.11 C ATOM 1209 CG1 ILE A 81 -4.125 2.295 3.434 1.00 5.12 C ATOM 1210 CG2 ILE A 81 -3.296 -0.072 3.374 1.00 24.02 C ATOM 1211 CD1 ILE A 81 -3.736 3.662 3.950 1.00 42.33 C ATOM 0 H ILE A 81 -3.861 2.423 6.556 1.00 3.23 H new ATOM 0 HA ILE A 81 -5.461 0.503 5.007 1.00 61.11 H new ATOM 0 HB ILE A 81 -2.587 1.465 4.671 1.00 43.11 H new ATOM 0 HG12 ILE A 81 -3.793 2.198 2.400 1.00 5.12 H new ATOM 0 HG13 ILE A 81 -5.212 2.213 3.429 1.00 5.12 H new ATOM 0 HG21 ILE A 81 -2.625 0.199 2.559 1.00 24.02 H new ATOM 0 HG22 ILE A 81 -2.843 -0.866 3.968 1.00 24.02 H new ATOM 0 HG23 ILE A 81 -4.243 -0.421 2.963 1.00 24.02 H new ATOM 0 HD11 ILE A 81 -4.185 4.430 3.320 1.00 42.33 H new ATOM 0 HD12 ILE A 81 -4.092 3.779 4.974 1.00 42.33 H new ATOM 0 HD13 ILE A 81 -2.651 3.764 3.929 1.00 42.33 H new ATOM 1222 N ASP A 82 -4.407 -1.597 5.883 1.00 22.35 N ATOM 1223 CA ASP A 82 -3.936 -2.810 6.540 1.00 0.32 C ATOM 1224 C ASP A 82 -3.792 -3.951 5.537 1.00 61.15 C ATOM 1225 O ASP A 82 -4.685 -4.195 4.725 1.00 11.32 O ATOM 1226 CB ASP A 82 -4.897 -3.217 7.658 1.00 14.24 C ATOM 1227 CG ASP A 82 -5.362 -2.031 8.481 1.00 5.41 C ATOM 1228 OD1 ASP A 82 -4.501 -1.335 9.059 1.00 5.32 O ATOM 1229 OD2 ASP A 82 -6.587 -1.800 8.546 1.00 13.10 O ATOM 0 H ASP A 82 -5.140 -1.751 5.190 1.00 22.35 H new ATOM 0 HA ASP A 82 -2.957 -2.602 6.971 1.00 0.32 H new ATOM 0 HB2 ASP A 82 -5.763 -3.717 7.225 1.00 14.24 H new ATOM 0 HB3 ASP A 82 -4.406 -3.939 8.311 1.00 14.24 H new ATOM 1233 N LEU A 83 -2.660 -4.645 5.598 1.00 2.02 N ATOM 1234 CA LEU A 83 -2.397 -5.760 4.695 1.00 74.40 C ATOM 1235 C LEU A 83 -2.615 -7.095 5.399 1.00 73.45 C ATOM 1236 O LEU A 83 -2.146 -7.302 6.519 1.00 73.32 O ATOM 1237 CB LEU A 83 -0.968 -5.681 4.157 1.00 75.45 C ATOM 1238 CG LEU A 83 -0.809 -5.100 2.752 1.00 31.55 C ATOM 1239 CD1 LEU A 83 0.529 -4.390 2.615 1.00 71.14 C ATOM 1240 CD2 LEU A 83 -0.944 -6.194 1.703 1.00 52.25 C ATOM 0 H LEU A 83 -1.910 -4.455 6.263 1.00 2.02 H new ATOM 0 HA LEU A 83 -3.096 -5.692 3.862 1.00 74.40 H new ATOM 0 HB2 LEU A 83 -0.375 -5.080 4.846 1.00 75.45 H new ATOM 0 HB3 LEU A 83 -0.543 -6.685 4.163 1.00 75.45 H new ATOM 0 HG LEU A 83 -1.602 -4.370 2.591 1.00 31.55 H new ATOM 0 HD11 LEU A 83 0.624 -3.983 1.608 1.00 71.14 H new ATOM 0 HD12 LEU A 83 0.587 -3.579 3.341 1.00 71.14 H new ATOM 0 HD13 LEU A 83 1.337 -5.098 2.798 1.00 71.14 H new ATOM 0 HD21 LEU A 83 -0.828 -5.761 0.709 1.00 52.25 H new ATOM 0 HD22 LEU A 83 -0.174 -6.948 1.863 1.00 52.25 H new ATOM 0 HD23 LEU A 83 -1.927 -6.657 1.785 1.00 52.25 H new ATOM 1251 N PHE A 84 -3.326 -8.000 4.735 1.00 11.44 N ATOM 1252 CA PHE A 84 -3.605 -9.316 5.297 1.00 1.55 C ATOM 1253 C PHE A 84 -3.101 -10.419 4.372 1.00 5.32 C ATOM 1254 O PHE A 84 -3.104 -10.288 3.148 1.00 52.43 O ATOM 1255 CB PHE A 84 -5.106 -9.483 5.539 1.00 3.44 C ATOM 1256 CG PHE A 84 -5.585 -8.839 6.809 1.00 64.34 C ATOM 1257 CD1 PHE A 84 -4.999 -9.154 8.024 1.00 1.02 C ATOM 1258 CD2 PHE A 84 -6.620 -7.918 6.787 1.00 21.11 C ATOM 1259 CE1 PHE A 84 -5.439 -8.563 9.194 1.00 72.33 C ATOM 1260 CE2 PHE A 84 -7.062 -7.324 7.953 1.00 14.23 C ATOM 1261 CZ PHE A 84 -6.470 -7.646 9.159 1.00 32.31 C ATOM 0 H PHE A 84 -3.720 -7.846 3.807 1.00 11.44 H new ATOM 0 HA PHE A 84 -3.080 -9.396 6.249 1.00 1.55 H new ATOM 0 HB2 PHE A 84 -5.651 -9.056 4.697 1.00 3.44 H new ATOM 0 HB3 PHE A 84 -5.345 -10.546 5.568 1.00 3.44 H new ATOM 0 HD1 PHE A 84 -4.190 -9.869 8.058 1.00 1.02 H new ATOM 0 HD2 PHE A 84 -7.086 -7.662 5.847 1.00 21.11 H new ATOM 0 HE1 PHE A 84 -4.976 -8.819 10.135 1.00 72.33 H new ATOM 0 HE2 PHE A 84 -7.870 -6.608 7.922 1.00 14.23 H new ATOM 0 HZ PHE A 84 -6.813 -7.182 10.072 1.00 32.31 H new ATOM 1270 N PRO A 85 -2.658 -11.536 4.971 1.00 31.42 N ATOM 1271 CA PRO A 85 -2.142 -12.685 4.220 1.00 33.11 C ATOM 1272 C PRO A 85 -3.239 -13.415 3.453 1.00 31.23 C ATOM 1273 O PRO A 85 -4.428 -13.285 3.746 1.00 52.14 O ATOM 1274 CB PRO A 85 -1.561 -13.588 5.311 1.00 70.33 C ATOM 1275 CG PRO A 85 -2.315 -13.228 6.543 1.00 54.45 C ATOM 1276 CD PRO A 85 -2.625 -11.761 6.425 1.00 5.23 C ATOM 0 HA PRO A 85 -1.417 -12.386 3.463 1.00 33.11 H new ATOM 0 HB2 PRO A 85 -1.689 -14.642 5.062 1.00 70.33 H new ATOM 0 HB3 PRO A 85 -0.492 -13.418 5.438 1.00 70.33 H new ATOM 0 HG2 PRO A 85 -3.230 -13.815 6.626 1.00 54.45 H new ATOM 0 HG3 PRO A 85 -1.724 -13.431 7.436 1.00 54.45 H new ATOM 0 HD2 PRO A 85 -3.578 -11.513 6.892 1.00 5.23 H new ATOM 0 HD3 PRO A 85 -1.864 -11.149 6.909 1.00 5.23 H new ATOM 1281 N PRO A 86 -2.834 -14.202 2.445 1.00 71.15 N ATOM 1282 CA PRO A 86 -3.767 -14.969 1.616 1.00 62.40 C ATOM 1283 C PRO A 86 -4.415 -16.117 2.381 1.00 43.44 C ATOM 1284 O PRO A 86 -3.812 -16.690 3.289 1.00 54.25 O ATOM 1285 CB PRO A 86 -2.880 -15.511 0.491 1.00 35.00 C ATOM 1286 CG PRO A 86 -1.512 -15.558 1.079 1.00 74.41 C ATOM 1287 CD PRO A 86 -1.433 -14.404 2.039 1.00 71.34 C ATOM 0 HA PRO A 86 -4.598 -14.356 1.266 1.00 62.40 H new ATOM 0 HB2 PRO A 86 -3.207 -16.500 0.170 1.00 35.00 H new ATOM 0 HB3 PRO A 86 -2.912 -14.864 -0.386 1.00 35.00 H new ATOM 0 HG2 PRO A 86 -1.340 -16.504 1.592 1.00 74.41 H new ATOM 0 HG3 PRO A 86 -0.751 -15.473 0.303 1.00 74.41 H new ATOM 0 HD2 PRO A 86 -0.796 -14.635 2.893 1.00 71.34 H new ATOM 0 HD3 PRO A 86 -1.020 -13.514 1.564 1.00 71.34 H new ATOM 1292 N VAL A 87 -5.647 -16.451 2.009 1.00 54.35 N ATOM 1293 CA VAL A 87 -6.376 -17.532 2.662 1.00 61.30 C ATOM 1294 C VAL A 87 -5.572 -18.827 2.642 1.00 50.14 C ATOM 1295 O VAL A 87 -5.661 -19.639 3.563 1.00 35.44 O ATOM 1296 CB VAL A 87 -7.739 -17.776 1.987 1.00 31.23 C ATOM 1297 CG1 VAL A 87 -8.609 -16.531 2.073 1.00 63.21 C ATOM 1298 CG2 VAL A 87 -7.547 -18.203 0.539 1.00 51.14 C ATOM 0 H VAL A 87 -6.161 -15.989 1.259 1.00 54.35 H new ATOM 0 HA VAL A 87 -6.540 -17.226 3.695 1.00 61.30 H new ATOM 0 HB VAL A 87 -8.247 -18.582 2.516 1.00 31.23 H new ATOM 0 HG11 VAL A 87 -9.568 -16.723 1.591 1.00 63.21 H new ATOM 0 HG12 VAL A 87 -8.774 -16.274 3.119 1.00 63.21 H new ATOM 0 HG13 VAL A 87 -8.110 -15.703 1.571 1.00 63.21 H new ATOM 0 HG21 VAL A 87 -8.520 -18.371 0.077 1.00 51.14 H new ATOM 0 HG22 VAL A 87 -7.018 -17.420 -0.004 1.00 51.14 H new ATOM 0 HG23 VAL A 87 -6.965 -19.124 0.505 1.00 51.14 H new ATOM 1308 N ALA A 88 -4.786 -19.013 1.586 1.00 41.24 N ATOM 1309 CA ALA A 88 -3.964 -20.208 1.448 1.00 65.31 C ATOM 1310 C ALA A 88 -2.701 -20.108 2.298 1.00 35.34 C ATOM 1311 O ALA A 88 -2.385 -21.015 3.067 1.00 14.02 O ATOM 1312 CB ALA A 88 -3.602 -20.435 -0.013 1.00 12.55 C ATOM 0 H ALA A 88 -4.702 -18.351 0.814 1.00 41.24 H new ATOM 0 HA ALA A 88 -4.544 -21.060 1.804 1.00 65.31 H new ATOM 0 HB1 ALA A 88 -2.988 -21.331 -0.101 1.00 12.55 H new ATOM 0 HB2 ALA A 88 -4.513 -20.561 -0.598 1.00 12.55 H new ATOM 0 HB3 ALA A 88 -3.046 -19.576 -0.388 1.00 12.55 H new