USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 64 ASN :FLIP amide:sc= 0.201 F(o=-1.2!,f=0.44) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0.237 USER MOD Set 3.1: A 1 MET CE :methyl -161:sc= -0.0194 (180deg=-0.253) USER MOD Set 3.2: A 20 THR OG1 : rot 148:sc= 0.478 USER MOD Set 4.1: A 6 TYR OH : rot -130:sc= 1.88 USER MOD Set 4.2: A 14 THR OG1 : rot 93:sc= 0.269 USER MOD Set 4.3: A 38 TYR OH : rot -128:sc= 0.545 USER MOD Single : A 1 MET N :NH3+ -107:sc= -1.14 (180deg=-4.71!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.759 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -110:sc= -0.0858 USER MOD Single : A 15 LYS NZ :NH3+ -142:sc= 0.156 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.33) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 51:sc= 0.0639 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 91:sc= 0.0289 USER MOD Single : A 43 THR OG1 : rot -70:sc= -0.626 USER MOD Single : A 44 LYS NZ :NH3+ 153:sc= -0.148 (180deg=-0.591) USER MOD Single : A 45 GLN : amide:sc= -4.21! C(o=-4.2!,f=-7.9!) USER MOD Single : A 46 MET CE :methyl 153:sc= -1.51 (180deg=-3.39!) USER MOD Single : A 47 TYR OH : rot -81:sc= 0.00721 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.34 K(o=-1.3,f=-1.9) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.497 F(o=-1.4,f=-0.5) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -117:sc= -0.187 (180deg=-1.32) USER MOD Single : A 73 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= -0.01 (180deg=-0.181) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.040 11.767 6.536 1.00 52.10 N ATOM 2 CA MET A 1 -2.038 10.786 6.939 1.00 15.45 C ATOM 3 C MET A 1 -2.470 9.377 6.551 1.00 25.32 C ATOM 4 O MET A 1 -3.660 9.063 6.535 1.00 63.14 O ATOM 5 CB MET A 1 -1.800 10.861 8.449 1.00 1.13 C ATOM 6 CG MET A 1 -0.947 9.724 8.986 1.00 10.12 C ATOM 7 SD MET A 1 -0.130 10.141 10.539 1.00 62.11 S ATOM 8 CE MET A 1 1.143 11.261 9.962 1.00 33.21 C ATOM 0 H1 MET A 1 -2.688 12.307 5.720 1.00 52.10 H new ATOM 0 H2 MET A 1 -3.919 11.277 6.274 1.00 52.10 H new ATOM 0 H3 MET A 1 -3.228 12.416 7.326 1.00 52.10 H new ATOM 0 HA MET A 1 -1.109 11.018 6.419 1.00 15.45 H new ATOM 0 HB2 MET A 1 -1.318 11.809 8.686 1.00 1.13 H new ATOM 0 HB3 MET A 1 -2.762 10.856 8.961 1.00 1.13 H new ATOM 0 HG2 MET A 1 -1.573 8.844 9.134 1.00 10.12 H new ATOM 0 HG3 MET A 1 -0.194 9.458 8.244 1.00 10.12 H new ATOM 0 HE1 MET A 1 1.926 11.342 10.716 1.00 33.21 H new ATOM 0 HE2 MET A 1 1.571 10.879 9.035 1.00 33.21 H new ATOM 0 HE3 MET A 1 0.708 12.244 9.783 1.00 33.21 H new ATOM 16 N VAL A 2 -1.495 8.530 6.234 1.00 54.51 N ATOM 17 CA VAL A 2 -1.774 7.153 5.846 1.00 5.21 C ATOM 18 C VAL A 2 -1.041 6.167 6.749 1.00 72.42 C ATOM 19 O VAL A 2 0.135 6.354 7.065 1.00 42.21 O ATOM 20 CB VAL A 2 -1.371 6.889 4.383 1.00 74.41 C ATOM 21 CG1 VAL A 2 -2.057 7.879 3.454 1.00 73.11 C ATOM 22 CG2 VAL A 2 0.140 6.959 4.227 1.00 73.41 C ATOM 0 H VAL A 2 -0.505 8.774 6.239 1.00 54.51 H new ATOM 0 HA VAL A 2 -2.849 7.007 5.951 1.00 5.21 H new ATOM 0 HB VAL A 2 -1.696 5.885 4.110 1.00 74.41 H new ATOM 0 HG11 VAL A 2 -1.761 7.677 2.425 1.00 73.11 H new ATOM 0 HG12 VAL A 2 -3.138 7.776 3.547 1.00 73.11 H new ATOM 0 HG13 VAL A 2 -1.765 8.894 3.724 1.00 73.11 H new ATOM 0 HG21 VAL A 2 0.408 6.770 3.187 1.00 73.41 H new ATOM 0 HG22 VAL A 2 0.490 7.949 4.518 1.00 73.41 H new ATOM 0 HG23 VAL A 2 0.607 6.208 4.864 1.00 73.41 H new ATOM 32 N THR A 3 -1.742 5.116 7.161 1.00 22.22 N ATOM 33 CA THR A 3 -1.158 4.100 8.029 1.00 70.51 C ATOM 34 C THR A 3 -1.302 2.710 7.421 1.00 62.13 C ATOM 35 O THR A 3 -2.413 2.242 7.172 1.00 4.42 O ATOM 36 CB THR A 3 -1.812 4.109 9.423 1.00 42.02 C ATOM 37 OG1 THR A 3 -2.121 5.452 9.811 1.00 23.34 O ATOM 38 CG2 THR A 3 -0.892 3.476 10.456 1.00 53.00 C ATOM 0 H THR A 3 -2.715 4.946 6.908 1.00 22.22 H new ATOM 0 HA THR A 3 -0.100 4.341 8.131 1.00 70.51 H new ATOM 0 HB THR A 3 -2.731 3.526 9.372 1.00 42.02 H new ATOM 0 HG1 THR A 3 -2.538 5.449 10.698 1.00 23.34 H new ATOM 0 HG21 THR A 3 -1.375 3.494 11.433 1.00 53.00 H new ATOM 0 HG22 THR A 3 -0.683 2.444 10.173 1.00 53.00 H new ATOM 0 HG23 THR A 3 0.042 4.036 10.503 1.00 53.00 H new ATOM 46 N VAL A 4 -0.170 2.052 7.184 1.00 11.03 N ATOM 47 CA VAL A 4 -0.171 0.714 6.606 1.00 10.42 C ATOM 48 C VAL A 4 0.372 -0.311 7.596 1.00 65.33 C ATOM 49 O VAL A 4 1.433 -0.116 8.189 1.00 35.21 O ATOM 50 CB VAL A 4 0.667 0.659 5.315 1.00 44.22 C ATOM 51 CG1 VAL A 4 0.030 1.512 4.228 1.00 42.03 C ATOM 52 CG2 VAL A 4 2.095 1.108 5.588 1.00 61.01 C ATOM 0 H VAL A 4 0.758 2.425 7.384 1.00 11.03 H new ATOM 0 HA VAL A 4 -1.207 0.472 6.367 1.00 10.42 H new ATOM 0 HB VAL A 4 0.695 -0.373 4.964 1.00 44.22 H new ATOM 0 HG11 VAL A 4 0.636 1.461 3.323 1.00 42.03 H new ATOM 0 HG12 VAL A 4 -0.972 1.141 4.015 1.00 42.03 H new ATOM 0 HG13 VAL A 4 -0.031 2.546 4.566 1.00 42.03 H new ATOM 0 HG21 VAL A 4 2.673 1.063 4.665 1.00 61.01 H new ATOM 0 HG22 VAL A 4 2.089 2.131 5.963 1.00 61.01 H new ATOM 0 HG23 VAL A 4 2.547 0.452 6.332 1.00 61.01 H new ATOM 62 N ARG A 5 -0.362 -1.406 7.768 1.00 10.44 N ATOM 63 CA ARG A 5 0.045 -2.462 8.687 1.00 50.10 C ATOM 64 C ARG A 5 0.390 -3.739 7.927 1.00 24.33 C ATOM 65 O ARG A 5 0.037 -3.893 6.757 1.00 14.30 O ATOM 66 CB ARG A 5 -1.066 -2.743 9.700 1.00 50.41 C ATOM 67 CG ARG A 5 -0.601 -3.535 10.911 1.00 63.25 C ATOM 68 CD ARG A 5 -1.433 -3.213 12.141 1.00 10.44 C ATOM 69 NE ARG A 5 -0.806 -3.696 13.369 1.00 14.25 N ATOM 70 CZ ARG A 5 -1.468 -3.897 14.503 1.00 23.14 C ATOM 71 NH1 ARG A 5 -2.771 -3.660 14.564 1.00 44.35 N ATOM 72 NH2 ARG A 5 -0.826 -4.339 15.577 1.00 32.15 N ATOM 0 H ARG A 5 -1.241 -1.585 7.283 1.00 10.44 H new ATOM 0 HA ARG A 5 0.934 -2.124 9.219 1.00 50.10 H new ATOM 0 HB2 ARG A 5 -1.487 -1.796 10.036 1.00 50.41 H new ATOM 0 HB3 ARG A 5 -1.868 -3.291 9.204 1.00 50.41 H new ATOM 0 HG2 ARG A 5 -0.666 -4.602 10.696 1.00 63.25 H new ATOM 0 HG3 ARG A 5 0.447 -3.313 11.111 1.00 63.25 H new ATOM 0 HD2 ARG A 5 -1.578 -2.135 12.208 1.00 10.44 H new ATOM 0 HD3 ARG A 5 -2.421 -3.662 12.038 1.00 10.44 H new ATOM 0 HE ARG A 5 0.195 -3.890 13.355 1.00 14.25 H new ATOM 0 HH11 ARG A 5 -3.267 -3.323 13.739 1.00 44.35 H new ATOM 0 HH12 ARG A 5 -3.277 -3.815 15.436 1.00 44.35 H new ATOM 0 HH21 ARG A 5 0.176 -4.524 15.532 1.00 32.15 H new ATOM 0 HH22 ARG A 5 -1.335 -4.493 16.448 1.00 32.15 H new ATOM 83 N TYR A 6 1.080 -4.653 8.600 1.00 64.33 N ATOM 84 CA TYR A 6 1.476 -5.916 7.987 1.00 12.23 C ATOM 85 C TYR A 6 1.171 -7.089 8.913 1.00 2.51 C ATOM 86 O TYR A 6 0.633 -6.909 10.007 1.00 72.12 O ATOM 87 CB TYR A 6 2.966 -5.897 7.644 1.00 10.33 C ATOM 88 CG TYR A 6 3.364 -4.753 6.739 1.00 60.01 C ATOM 89 CD1 TYR A 6 2.661 -4.489 5.571 1.00 12.35 C ATOM 90 CD2 TYR A 6 4.443 -3.936 7.053 1.00 74.13 C ATOM 91 CE1 TYR A 6 3.021 -3.445 4.740 1.00 41.34 C ATOM 92 CE2 TYR A 6 4.810 -2.889 6.229 1.00 43.33 C ATOM 93 CZ TYR A 6 4.096 -2.648 5.073 1.00 53.35 C ATOM 94 OH TYR A 6 4.458 -1.607 4.250 1.00 53.11 O ATOM 0 H TYR A 6 1.377 -4.543 9.570 1.00 64.33 H new ATOM 0 HA TYR A 6 0.901 -6.041 7.069 1.00 12.23 H new ATOM 0 HB2 TYR A 6 3.542 -5.836 8.567 1.00 10.33 H new ATOM 0 HB3 TYR A 6 3.232 -6.839 7.164 1.00 10.33 H new ATOM 0 HD1 TYR A 6 1.818 -5.110 5.307 1.00 12.35 H new ATOM 0 HD2 TYR A 6 5.005 -4.122 7.957 1.00 74.13 H new ATOM 0 HE1 TYR A 6 2.464 -3.254 3.835 1.00 41.34 H new ATOM 0 HE2 TYR A 6 5.651 -2.263 6.488 1.00 43.33 H new ATOM 0 HH TYR A 6 5.419 -1.655 4.066 1.00 53.11 H new ATOM 103 N TYR A 7 1.519 -8.291 8.468 1.00 44.43 N ATOM 104 CA TYR A 7 1.282 -9.496 9.255 1.00 45.32 C ATOM 105 C TYR A 7 2.509 -10.402 9.247 1.00 4.54 C ATOM 106 O TYR A 7 3.183 -10.563 10.265 1.00 32.24 O ATOM 107 CB TYR A 7 0.070 -10.255 8.713 1.00 33.30 C ATOM 108 CG TYR A 7 -0.470 -11.297 9.666 1.00 10.03 C ATOM 109 CD1 TYR A 7 -1.339 -10.944 10.692 1.00 50.23 C ATOM 110 CD2 TYR A 7 -0.111 -12.633 9.542 1.00 21.35 C ATOM 111 CE1 TYR A 7 -1.833 -11.893 11.566 1.00 1.34 C ATOM 112 CE2 TYR A 7 -0.603 -13.588 10.410 1.00 22.11 C ATOM 113 CZ TYR A 7 -1.463 -13.213 11.422 1.00 24.42 C ATOM 114 OH TYR A 7 -1.955 -14.160 12.289 1.00 65.23 O ATOM 0 H TYR A 7 1.966 -8.457 7.566 1.00 44.43 H new ATOM 0 HA TYR A 7 1.083 -9.194 10.283 1.00 45.32 H new ATOM 0 HB2 TYR A 7 -0.721 -9.541 8.482 1.00 33.30 H new ATOM 0 HB3 TYR A 7 0.345 -10.740 7.776 1.00 33.30 H new ATOM 0 HD1 TYR A 7 -1.633 -9.911 10.808 1.00 50.23 H new ATOM 0 HD2 TYR A 7 0.564 -12.930 8.753 1.00 21.35 H new ATOM 0 HE1 TYR A 7 -2.506 -11.602 12.359 1.00 1.34 H new ATOM 0 HE2 TYR A 7 -0.316 -14.623 10.297 1.00 22.11 H new ATOM 0 HH TYR A 7 -1.597 -15.040 12.049 1.00 65.23 H new ATOM 123 N ALA A 8 2.794 -10.992 8.091 1.00 1.24 N ATOM 124 CA ALA A 8 3.940 -11.881 7.948 1.00 34.34 C ATOM 125 C ALA A 8 4.478 -11.857 6.521 1.00 35.11 C ATOM 126 O ALA A 8 5.690 -11.873 6.303 1.00 33.22 O ATOM 127 CB ALA A 8 3.562 -13.298 8.347 1.00 5.51 C ATOM 0 H ALA A 8 2.246 -10.870 7.239 1.00 1.24 H new ATOM 0 HA ALA A 8 4.728 -11.527 8.612 1.00 34.34 H new ATOM 0 HB1 ALA A 8 4.428 -13.951 8.235 1.00 5.51 H new ATOM 0 HB2 ALA A 8 3.232 -13.308 9.386 1.00 5.51 H new ATOM 0 HB3 ALA A 8 2.755 -13.653 7.707 1.00 5.51 H new ATOM 133 N THR A 9 3.570 -11.818 5.551 1.00 72.24 N ATOM 134 CA THR A 9 3.953 -11.794 4.146 1.00 72.32 C ATOM 135 C THR A 9 4.751 -10.537 3.815 1.00 62.22 C ATOM 136 O THR A 9 5.549 -10.524 2.877 1.00 63.24 O ATOM 137 CB THR A 9 2.721 -11.863 3.225 1.00 13.40 C ATOM 138 OG1 THR A 9 2.021 -13.094 3.436 1.00 23.44 O ATOM 139 CG2 THR A 9 3.129 -11.748 1.764 1.00 31.13 C ATOM 0 H THR A 9 2.563 -11.802 5.714 1.00 72.24 H new ATOM 0 HA THR A 9 4.575 -12.673 3.974 1.00 72.32 H new ATOM 0 HB THR A 9 2.066 -11.027 3.468 1.00 13.40 H new ATOM 0 HG1 THR A 9 2.128 -13.670 2.650 1.00 23.44 H new ATOM 0 HG21 THR A 9 2.242 -11.799 1.133 1.00 31.13 H new ATOM 0 HG22 THR A 9 3.635 -10.796 1.601 1.00 31.13 H new ATOM 0 HG23 THR A 9 3.803 -12.566 1.509 1.00 31.13 H new ATOM 147 N LEU A 10 4.530 -9.481 4.590 1.00 52.24 N ATOM 148 CA LEU A 10 5.229 -8.218 4.380 1.00 10.01 C ATOM 149 C LEU A 10 6.285 -7.994 5.457 1.00 42.51 C ATOM 150 O LEU A 10 7.058 -7.037 5.394 1.00 44.11 O ATOM 151 CB LEU A 10 4.234 -7.056 4.375 1.00 41.41 C ATOM 152 CG LEU A 10 3.340 -6.943 3.140 1.00 35.11 C ATOM 153 CD1 LEU A 10 4.176 -6.981 1.871 1.00 73.03 C ATOM 154 CD2 LEU A 10 2.301 -8.054 3.130 1.00 65.21 C ATOM 0 H LEU A 10 3.872 -9.474 5.370 1.00 52.24 H new ATOM 0 HA LEU A 10 5.728 -8.264 3.412 1.00 10.01 H new ATOM 0 HB2 LEU A 10 3.596 -7.147 5.254 1.00 41.41 H new ATOM 0 HB3 LEU A 10 4.792 -6.126 4.481 1.00 41.41 H new ATOM 0 HG LEU A 10 2.819 -5.986 3.179 1.00 35.11 H new ATOM 0 HD11 LEU A 10 3.523 -6.899 1.002 1.00 73.03 H new ATOM 0 HD12 LEU A 10 4.881 -6.149 1.874 1.00 73.03 H new ATOM 0 HD13 LEU A 10 4.725 -7.922 1.825 1.00 73.03 H new ATOM 0 HD21 LEU A 10 1.674 -7.958 2.244 1.00 65.21 H new ATOM 0 HD22 LEU A 10 2.803 -9.021 3.116 1.00 65.21 H new ATOM 0 HD23 LEU A 10 1.681 -7.980 4.023 1.00 65.21 H new ATOM 165 N ARG A 11 6.313 -8.882 6.445 1.00 44.34 N ATOM 166 CA ARG A 11 7.275 -8.783 7.536 1.00 13.04 C ATOM 167 C ARG A 11 8.696 -8.640 6.998 1.00 32.55 C ATOM 168 O ARG A 11 9.396 -7.666 7.276 1.00 64.44 O ATOM 169 CB ARG A 11 7.183 -10.013 8.440 1.00 1.01 C ATOM 170 CG ARG A 11 6.865 -9.683 9.889 1.00 13.03 C ATOM 171 CD ARG A 11 8.065 -9.919 10.791 1.00 72.35 C ATOM 172 NE ARG A 11 8.339 -11.341 10.977 1.00 3.21 N ATOM 173 CZ ARG A 11 7.650 -12.120 11.803 1.00 42.43 C ATOM 174 NH1 ARG A 11 6.652 -11.618 12.516 1.00 73.01 N ATOM 175 NH2 ARG A 11 7.960 -13.406 11.918 1.00 12.05 N ATOM 0 H ARG A 11 5.680 -9.679 6.512 1.00 44.34 H new ATOM 0 HA ARG A 11 7.034 -7.894 8.118 1.00 13.04 H new ATOM 0 HB2 ARG A 11 6.415 -10.682 8.052 1.00 1.01 H new ATOM 0 HB3 ARG A 11 8.128 -10.555 8.399 1.00 1.01 H new ATOM 0 HG2 ARG A 11 6.550 -8.642 9.965 1.00 13.03 H new ATOM 0 HG3 ARG A 11 6.029 -10.295 10.227 1.00 13.03 H new ATOM 0 HD2 ARG A 11 8.942 -9.434 10.362 1.00 72.35 H new ATOM 0 HD3 ARG A 11 7.886 -9.454 11.761 1.00 72.35 H new ATOM 0 HE ARG A 11 9.101 -11.759 10.443 1.00 3.21 H new ATOM 0 HH11 ARG A 11 6.411 -10.631 12.431 1.00 73.01 H new ATOM 0 HH12 ARG A 11 6.125 -12.219 13.149 1.00 73.01 H new ATOM 0 HH21 ARG A 11 8.728 -13.796 11.372 1.00 12.05 H new ATOM 0 HH22 ARG A 11 7.430 -14.004 12.553 1.00 12.05 H new ATOM 186 N PRO A 12 9.132 -9.632 6.207 1.00 51.40 N ATOM 187 CA PRO A 12 10.472 -9.639 5.614 1.00 25.43 C ATOM 188 C PRO A 12 10.632 -8.576 4.532 1.00 70.11 C ATOM 189 O PRO A 12 11.736 -8.341 4.038 1.00 65.04 O ATOM 190 CB PRO A 12 10.583 -11.040 5.006 1.00 72.21 C ATOM 191 CG PRO A 12 9.175 -11.453 4.745 1.00 13.20 C ATOM 192 CD PRO A 12 8.350 -10.823 5.833 1.00 54.01 C ATOM 0 HA PRO A 12 11.245 -9.416 6.350 1.00 25.43 H new ATOM 0 HB2 PRO A 12 11.169 -11.027 4.087 1.00 72.21 H new ATOM 0 HB3 PRO A 12 11.078 -11.730 5.690 1.00 72.21 H new ATOM 0 HG2 PRO A 12 8.846 -11.117 3.762 1.00 13.20 H new ATOM 0 HG3 PRO A 12 9.078 -12.539 4.760 1.00 13.20 H new ATOM 0 HD2 PRO A 12 7.355 -10.555 5.479 1.00 54.01 H new ATOM 0 HD3 PRO A 12 8.217 -11.498 6.678 1.00 54.01 H new ATOM 197 N ILE A 13 9.526 -7.936 4.169 1.00 62.32 N ATOM 198 CA ILE A 13 9.546 -6.897 3.147 1.00 13.31 C ATOM 199 C ILE A 13 9.633 -5.510 3.775 1.00 54.21 C ATOM 200 O ILE A 13 10.057 -4.550 3.132 1.00 53.32 O ATOM 201 CB ILE A 13 8.294 -6.964 2.251 1.00 53.34 C ATOM 202 CG1 ILE A 13 7.979 -8.416 1.887 1.00 65.04 C ATOM 203 CG2 ILE A 13 8.497 -6.129 0.996 1.00 42.31 C ATOM 204 CD1 ILE A 13 6.938 -8.553 0.798 1.00 4.40 C ATOM 0 H ILE A 13 8.605 -8.119 4.567 1.00 62.32 H new ATOM 0 HA ILE A 13 10.431 -7.073 2.535 1.00 13.31 H new ATOM 0 HB ILE A 13 7.447 -6.556 2.802 1.00 53.34 H new ATOM 0 HG12 ILE A 13 8.897 -8.909 1.566 1.00 65.04 H new ATOM 0 HG13 ILE A 13 7.632 -8.939 2.778 1.00 65.04 H new ATOM 0 HG21 ILE A 13 7.605 -6.186 0.373 1.00 42.31 H new ATOM 0 HG22 ILE A 13 8.679 -5.091 1.275 1.00 42.31 H new ATOM 0 HG23 ILE A 13 9.353 -6.511 0.440 1.00 42.31 H new ATOM 0 HD11 ILE A 13 6.765 -9.609 0.591 1.00 4.40 H new ATOM 0 HD12 ILE A 13 6.007 -8.089 1.124 1.00 4.40 H new ATOM 0 HD13 ILE A 13 7.291 -8.059 -0.107 1.00 4.40 H new ATOM 215 N THR A 14 9.231 -5.412 5.039 1.00 41.21 N ATOM 216 CA THR A 14 9.264 -4.144 5.756 1.00 73.32 C ATOM 217 C THR A 14 10.337 -4.151 6.839 1.00 22.05 C ATOM 218 O THR A 14 10.636 -3.120 7.439 1.00 34.04 O ATOM 219 CB THR A 14 7.902 -3.827 6.401 1.00 33.13 C ATOM 220 OG1 THR A 14 7.899 -2.487 6.908 1.00 23.02 O ATOM 221 CG2 THR A 14 7.598 -4.801 7.529 1.00 5.34 C ATOM 0 H THR A 14 8.879 -6.197 5.587 1.00 41.21 H new ATOM 0 HA THR A 14 9.498 -3.373 5.022 1.00 73.32 H new ATOM 0 HB THR A 14 7.131 -3.928 5.637 1.00 33.13 H new ATOM 0 HG1 THR A 14 7.543 -1.880 6.226 1.00 23.02 H new ATOM 0 HG21 THR A 14 6.631 -4.557 7.969 1.00 5.34 H new ATOM 0 HG22 THR A 14 7.572 -5.817 7.135 1.00 5.34 H new ATOM 0 HG23 THR A 14 8.373 -4.728 8.292 1.00 5.34 H new ATOM 229 N LYS A 15 10.915 -5.322 7.084 1.00 25.35 N ATOM 230 CA LYS A 15 11.957 -5.466 8.093 1.00 74.52 C ATOM 231 C LYS A 15 11.416 -5.145 9.482 1.00 72.10 C ATOM 232 O LYS A 15 12.112 -4.557 10.310 1.00 60.34 O ATOM 233 CB LYS A 15 13.139 -4.549 7.769 1.00 12.14 C ATOM 234 CG LYS A 15 13.612 -4.650 6.329 1.00 1.01 C ATOM 235 CD LYS A 15 14.272 -5.991 6.053 1.00 20.31 C ATOM 236 CE LYS A 15 15.068 -5.962 4.757 1.00 43.52 C ATOM 237 NZ LYS A 15 14.284 -6.501 3.611 1.00 53.32 N ATOM 0 H LYS A 15 10.679 -6.186 6.597 1.00 25.35 H new ATOM 0 HA LYS A 15 12.296 -6.502 8.085 1.00 74.52 H new ATOM 0 HB2 LYS A 15 12.855 -3.517 7.978 1.00 12.14 H new ATOM 0 HB3 LYS A 15 13.969 -4.792 8.433 1.00 12.14 H new ATOM 0 HG2 LYS A 15 12.765 -4.515 5.656 1.00 1.01 H new ATOM 0 HG3 LYS A 15 14.317 -3.846 6.119 1.00 1.01 H new ATOM 0 HD2 LYS A 15 14.932 -6.251 6.881 1.00 20.31 H new ATOM 0 HD3 LYS A 15 13.510 -6.768 5.996 1.00 20.31 H new ATOM 0 HE2 LYS A 15 15.371 -4.938 4.540 1.00 43.52 H new ATOM 0 HE3 LYS A 15 15.981 -6.545 4.879 1.00 43.52 H new ATOM 0 HZ1 LYS A 15 14.911 -7.052 2.990 1.00 53.32 H new ATOM 0 HZ2 LYS A 15 13.524 -7.114 3.968 1.00 53.32 H new ATOM 0 HZ3 LYS A 15 13.869 -5.713 3.073 1.00 53.32 H new ATOM 247 N LYS A 16 10.171 -5.536 9.733 1.00 62.40 N ATOM 248 CA LYS A 16 9.537 -5.294 11.023 1.00 35.31 C ATOM 249 C LYS A 16 9.639 -3.822 11.410 1.00 41.30 C ATOM 250 O LYS A 16 10.356 -3.464 12.346 1.00 30.24 O ATOM 251 CB LYS A 16 10.184 -6.163 12.104 1.00 32.33 C ATOM 252 CG LYS A 16 10.122 -7.651 11.806 1.00 33.31 C ATOM 253 CD LYS A 16 11.329 -8.383 12.369 1.00 41.21 C ATOM 254 CE LYS A 16 12.509 -8.333 11.412 1.00 22.32 C ATOM 255 NZ LYS A 16 13.668 -9.118 11.919 1.00 24.40 N ATOM 0 H LYS A 16 9.581 -6.023 9.059 1.00 62.40 H new ATOM 0 HA LYS A 16 8.483 -5.558 10.937 1.00 35.31 H new ATOM 0 HB2 LYS A 16 11.227 -5.867 12.220 1.00 32.33 H new ATOM 0 HB3 LYS A 16 9.690 -5.971 13.057 1.00 32.33 H new ATOM 0 HG2 LYS A 16 9.210 -8.070 12.231 1.00 33.31 H new ATOM 0 HG3 LYS A 16 10.072 -7.805 10.728 1.00 33.31 H new ATOM 0 HD2 LYS A 16 11.614 -7.938 13.322 1.00 41.21 H new ATOM 0 HD3 LYS A 16 11.065 -9.422 12.569 1.00 41.21 H new ATOM 0 HE2 LYS A 16 12.205 -8.721 10.440 1.00 22.32 H new ATOM 0 HE3 LYS A 16 12.811 -7.296 11.261 1.00 22.32 H new ATOM 0 HZ1 LYS A 16 14.452 -9.059 11.238 1.00 24.40 H new ATOM 0 HZ2 LYS A 16 13.975 -8.732 12.835 1.00 24.40 H new ATOM 0 HZ3 LYS A 16 13.388 -10.112 12.039 1.00 24.40 H new ATOM 265 N LYS A 17 8.918 -2.973 10.688 1.00 22.34 N ATOM 266 CA LYS A 17 8.924 -1.540 10.957 1.00 32.14 C ATOM 267 C LYS A 17 7.765 -0.847 10.246 1.00 0.53 C ATOM 268 O LYS A 17 7.781 -0.684 9.027 1.00 72.53 O ATOM 269 CB LYS A 17 10.251 -0.922 10.511 1.00 41.24 C ATOM 270 CG LYS A 17 11.270 -0.798 11.630 1.00 73.02 C ATOM 271 CD LYS A 17 12.308 0.269 11.324 1.00 44.21 C ATOM 272 CE LYS A 17 13.090 -0.060 10.061 1.00 45.54 C ATOM 273 NZ LYS A 17 14.270 0.830 9.892 1.00 74.11 N ATOM 0 H LYS A 17 8.320 -3.253 9.910 1.00 22.34 H new ATOM 0 HA LYS A 17 8.806 -1.398 12.031 1.00 32.14 H new ATOM 0 HB2 LYS A 17 10.674 -1.529 9.711 1.00 41.24 H new ATOM 0 HB3 LYS A 17 10.060 0.067 10.094 1.00 41.24 H new ATOM 0 HG2 LYS A 17 10.760 -0.554 12.562 1.00 73.02 H new ATOM 0 HG3 LYS A 17 11.766 -1.757 11.779 1.00 73.02 H new ATOM 0 HD2 LYS A 17 11.815 1.234 11.207 1.00 44.21 H new ATOM 0 HD3 LYS A 17 12.995 0.361 12.165 1.00 44.21 H new ATOM 0 HE2 LYS A 17 13.421 -1.098 10.099 1.00 45.54 H new ATOM 0 HE3 LYS A 17 12.436 0.035 9.194 1.00 45.54 H new ATOM 0 HZ1 LYS A 17 14.776 0.574 9.020 1.00 74.11 H new ATOM 0 HZ2 LYS A 17 13.953 1.819 9.831 1.00 74.11 H new ATOM 0 HZ3 LYS A 17 14.907 0.721 10.707 1.00 74.11 H new ATOM 283 N GLU A 18 6.761 -0.442 11.018 1.00 31.32 N ATOM 284 CA GLU A 18 5.595 0.233 10.461 1.00 13.35 C ATOM 285 C GLU A 18 5.596 1.714 10.829 1.00 52.03 C ATOM 286 O GLU A 18 6.001 2.091 11.928 1.00 62.01 O ATOM 287 CB GLU A 18 4.308 -0.426 10.962 1.00 42.23 C ATOM 288 CG GLU A 18 3.055 0.376 10.658 1.00 0.54 C ATOM 289 CD GLU A 18 1.782 -0.395 10.951 1.00 43.55 C ATOM 290 OE1 GLU A 18 1.881 -1.540 11.438 1.00 50.11 O ATOM 291 OE2 GLU A 18 0.687 0.147 10.694 1.00 34.42 O ATOM 0 H GLU A 18 6.732 -0.570 12.030 1.00 31.32 H new ATOM 0 HA GLU A 18 5.641 0.145 9.376 1.00 13.35 H new ATOM 0 HB2 GLU A 18 4.216 -1.413 10.510 1.00 42.23 H new ATOM 0 HB3 GLU A 18 4.382 -0.575 12.039 1.00 42.23 H new ATOM 0 HG2 GLU A 18 3.063 1.293 11.247 1.00 0.54 H new ATOM 0 HG3 GLU A 18 3.063 0.671 9.609 1.00 0.54 H new ATOM 296 N GLU A 19 5.142 2.549 9.900 1.00 30.42 N ATOM 297 CA GLU A 19 5.092 3.989 10.126 1.00 50.02 C ATOM 298 C GLU A 19 4.047 4.645 9.229 1.00 31.53 C ATOM 299 O GLU A 19 3.603 4.059 8.241 1.00 21.14 O ATOM 300 CB GLU A 19 6.465 4.615 9.871 1.00 22.23 C ATOM 301 CG GLU A 19 7.375 4.605 11.088 1.00 3.24 C ATOM 302 CD GLU A 19 8.454 5.667 11.018 1.00 52.22 C ATOM 303 OE1 GLU A 19 9.516 5.396 10.418 1.00 53.24 O ATOM 304 OE2 GLU A 19 8.237 6.770 11.563 1.00 44.45 O ATOM 0 H GLU A 19 4.804 2.254 8.984 1.00 30.42 H new ATOM 0 HA GLU A 19 4.810 4.158 11.165 1.00 50.02 H new ATOM 0 HB2 GLU A 19 6.954 4.078 9.058 1.00 22.23 H new ATOM 0 HB3 GLU A 19 6.329 5.644 9.538 1.00 22.23 H new ATOM 0 HG2 GLU A 19 6.776 4.759 11.986 1.00 3.24 H new ATOM 0 HG3 GLU A 19 7.841 3.624 11.180 1.00 3.24 H new ATOM 309 N THR A 20 3.657 5.867 9.579 1.00 4.13 N ATOM 310 CA THR A 20 2.662 6.602 8.808 1.00 54.04 C ATOM 311 C THR A 20 3.324 7.640 7.907 1.00 3.24 C ATOM 312 O THR A 20 4.483 8.001 8.107 1.00 72.40 O ATOM 313 CB THR A 20 1.649 7.310 9.728 1.00 61.43 C ATOM 314 OG1 THR A 20 2.336 7.976 10.793 1.00 33.23 O ATOM 315 CG2 THR A 20 0.655 6.313 10.304 1.00 23.14 C ATOM 0 H THR A 20 4.015 6.368 10.392 1.00 4.13 H new ATOM 0 HA THR A 20 2.135 5.872 8.193 1.00 54.04 H new ATOM 0 HB THR A 20 1.103 8.043 9.135 1.00 61.43 H new ATOM 0 HG1 THR A 20 1.839 8.780 11.051 1.00 33.23 H new ATOM 0 HG21 THR A 20 -0.051 6.835 10.950 1.00 23.14 H new ATOM 0 HG22 THR A 20 0.113 5.829 9.492 1.00 23.14 H new ATOM 0 HG23 THR A 20 1.189 5.560 10.883 1.00 23.14 H new ATOM 323 N PHE A 21 2.578 8.116 6.915 1.00 53.23 N ATOM 324 CA PHE A 21 3.093 9.112 5.983 1.00 33.24 C ATOM 325 C PHE A 21 2.125 10.285 5.851 1.00 22.30 C ATOM 326 O PHE A 21 0.908 10.104 5.875 1.00 33.41 O ATOM 327 CB PHE A 21 3.337 8.480 4.611 1.00 23.25 C ATOM 328 CG PHE A 21 4.117 7.198 4.672 1.00 34.30 C ATOM 329 CD1 PHE A 21 3.478 5.994 4.917 1.00 72.24 C ATOM 330 CD2 PHE A 21 5.489 7.199 4.484 1.00 72.04 C ATOM 331 CE1 PHE A 21 4.194 4.812 4.973 1.00 20.21 C ATOM 332 CE2 PHE A 21 6.211 6.021 4.538 1.00 41.21 C ATOM 333 CZ PHE A 21 5.562 4.827 4.784 1.00 42.32 C ATOM 0 H PHE A 21 1.616 7.828 6.736 1.00 53.23 H new ATOM 0 HA PHE A 21 4.038 9.486 6.376 1.00 33.24 H new ATOM 0 HB2 PHE A 21 2.377 8.289 4.132 1.00 23.25 H new ATOM 0 HB3 PHE A 21 3.872 9.192 3.982 1.00 23.25 H new ATOM 0 HD1 PHE A 21 2.408 5.978 5.066 1.00 72.24 H new ATOM 0 HD2 PHE A 21 6.001 8.131 4.293 1.00 72.04 H new ATOM 0 HE1 PHE A 21 3.684 3.879 5.164 1.00 20.21 H new ATOM 0 HE2 PHE A 21 7.280 6.035 4.388 1.00 41.21 H new ATOM 0 HZ PHE A 21 6.124 3.906 4.829 1.00 42.32 H new ATOM 342 N ASN A 22 2.675 11.486 5.711 1.00 40.43 N ATOM 343 CA ASN A 22 1.861 12.689 5.577 1.00 51.24 C ATOM 344 C ASN A 22 2.231 13.457 4.312 1.00 63.14 C ATOM 345 O ASN A 22 3.296 13.244 3.733 1.00 2.14 O ATOM 346 CB ASN A 22 2.037 13.588 6.803 1.00 32.34 C ATOM 347 CG ASN A 22 0.938 14.627 6.918 1.00 55.40 C ATOM 348 OD1 ASN A 22 -0.245 14.292 6.986 1.00 74.54 O ATOM 349 ND2 ASN A 22 1.326 15.898 6.941 1.00 44.12 N ATOM 0 H ASN A 22 3.681 11.653 5.687 1.00 40.43 H new ATOM 0 HA ASN A 22 0.817 12.385 5.504 1.00 51.24 H new ATOM 0 HB2 ASN A 22 2.048 12.973 7.703 1.00 32.34 H new ATOM 0 HB3 ASN A 22 3.003 14.089 6.747 1.00 32.34 H new ATOM 0 HD21 ASN A 22 0.632 16.642 7.018 1.00 44.12 H new ATOM 0 HD22 ASN A 22 2.318 16.130 6.882 1.00 44.12 H new ATOM 355 N GLY A 23 1.343 14.352 3.889 1.00 75.44 N ATOM 356 CA GLY A 23 1.594 15.139 2.695 1.00 41.14 C ATOM 357 C GLY A 23 0.492 14.995 1.664 1.00 54.34 C ATOM 358 O GLY A 23 -0.135 15.982 1.275 1.00 54.24 O ATOM 0 H GLY A 23 0.455 14.546 4.351 1.00 75.44 H new ATOM 0 HA2 GLY A 23 1.695 16.189 2.970 1.00 41.14 H new ATOM 0 HA3 GLY A 23 2.542 14.832 2.254 1.00 41.14 H new ATOM 362 N ILE A 24 0.257 13.767 1.219 1.00 4.31 N ATOM 363 CA ILE A 24 -0.777 13.499 0.227 1.00 22.35 C ATOM 364 C ILE A 24 -1.901 12.654 0.817 1.00 52.44 C ATOM 365 O ILE A 24 -1.675 11.840 1.713 1.00 14.34 O ATOM 366 CB ILE A 24 -0.201 12.777 -1.005 1.00 63.33 C ATOM 367 CG1 ILE A 24 -1.240 12.729 -2.128 1.00 53.33 C ATOM 368 CG2 ILE A 24 0.250 11.372 -0.634 1.00 54.50 C ATOM 369 CD1 ILE A 24 -0.668 13.038 -3.494 1.00 60.11 C ATOM 0 H ILE A 24 0.768 12.941 1.529 1.00 4.31 H new ATOM 0 HA ILE A 24 -1.176 14.466 -0.081 1.00 22.35 H new ATOM 0 HB ILE A 24 0.666 13.334 -1.361 1.00 63.33 H new ATOM 0 HG12 ILE A 24 -1.695 11.739 -2.149 1.00 53.33 H new ATOM 0 HG13 ILE A 24 -2.036 13.441 -1.907 1.00 53.33 H new ATOM 0 HG21 ILE A 24 0.655 10.875 -1.516 1.00 54.50 H new ATOM 0 HG22 ILE A 24 1.019 11.428 0.136 1.00 54.50 H new ATOM 0 HG23 ILE A 24 -0.601 10.805 -0.256 1.00 54.50 H new ATOM 0 HD11 ILE A 24 -1.460 12.986 -4.241 1.00 60.11 H new ATOM 0 HD12 ILE A 24 -0.238 14.040 -3.490 1.00 60.11 H new ATOM 0 HD13 ILE A 24 0.108 12.311 -3.737 1.00 60.11 H new ATOM 380 N SER A 25 -3.112 12.852 0.308 1.00 25.35 N ATOM 381 CA SER A 25 -4.273 12.110 0.786 1.00 4.24 C ATOM 382 C SER A 25 -4.900 11.295 -0.342 1.00 43.22 C ATOM 383 O SER A 25 -6.104 11.369 -0.582 1.00 14.05 O ATOM 384 CB SER A 25 -5.311 13.068 1.375 1.00 71.53 C ATOM 385 OG SER A 25 -4.906 13.537 2.649 1.00 34.13 O ATOM 0 H SER A 25 -3.315 13.520 -0.436 1.00 25.35 H new ATOM 0 HA SER A 25 -3.939 11.424 1.564 1.00 4.24 H new ATOM 0 HB2 SER A 25 -5.454 13.913 0.701 1.00 71.53 H new ATOM 0 HB3 SER A 25 -6.272 12.561 1.459 1.00 71.53 H new ATOM 0 HG SER A 25 -5.585 14.148 3.004 1.00 34.13 H new ATOM 390 N LYS A 26 -4.072 10.517 -1.031 1.00 11.42 N ATOM 391 CA LYS A 26 -4.541 9.686 -2.133 1.00 1.45 C ATOM 392 C LYS A 26 -3.769 8.372 -2.190 1.00 4.14 C ATOM 393 O LYS A 26 -2.656 8.273 -1.676 1.00 23.40 O ATOM 394 CB LYS A 26 -4.396 10.433 -3.461 1.00 14.34 C ATOM 395 CG LYS A 26 -5.214 11.712 -3.531 1.00 62.04 C ATOM 396 CD LYS A 26 -5.442 12.148 -4.968 1.00 33.11 C ATOM 397 CE LYS A 26 -4.298 13.012 -5.477 1.00 11.04 C ATOM 398 NZ LYS A 26 -4.447 14.434 -5.058 1.00 60.03 N ATOM 0 H LYS A 26 -3.072 10.445 -0.845 1.00 11.42 H new ATOM 0 HA LYS A 26 -5.594 9.462 -1.963 1.00 1.45 H new ATOM 0 HB2 LYS A 26 -3.345 10.674 -3.620 1.00 14.34 H new ATOM 0 HB3 LYS A 26 -4.698 9.773 -4.274 1.00 14.34 H new ATOM 0 HG2 LYS A 26 -6.175 11.558 -3.039 1.00 62.04 H new ATOM 0 HG3 LYS A 26 -4.700 12.504 -2.986 1.00 62.04 H new ATOM 0 HD2 LYS A 26 -5.546 11.269 -5.604 1.00 33.11 H new ATOM 0 HD3 LYS A 26 -6.377 12.704 -5.037 1.00 33.11 H new ATOM 0 HE2 LYS A 26 -3.352 12.620 -5.102 1.00 11.04 H new ATOM 0 HE3 LYS A 26 -4.257 12.956 -6.565 1.00 11.04 H new ATOM 0 HZ1 LYS A 26 -3.648 14.989 -5.425 1.00 60.03 H new ATOM 0 HZ2 LYS A 26 -5.337 14.816 -5.437 1.00 60.03 H new ATOM 0 HZ3 LYS A 26 -4.460 14.490 -4.020 1.00 60.03 H new ATOM 408 N ILE A 27 -4.368 7.366 -2.821 1.00 52.31 N ATOM 409 CA ILE A 27 -3.735 6.060 -2.947 1.00 24.21 C ATOM 410 C ILE A 27 -2.646 6.077 -4.014 1.00 35.03 C ATOM 411 O ILE A 27 -1.715 5.273 -3.979 1.00 22.34 O ATOM 412 CB ILE A 27 -4.764 4.968 -3.296 1.00 40.05 C ATOM 413 CG1 ILE A 27 -5.794 4.829 -2.174 1.00 44.25 C ATOM 414 CG2 ILE A 27 -4.063 3.641 -3.546 1.00 71.24 C ATOM 415 CD1 ILE A 27 -5.204 4.341 -0.869 1.00 15.21 C ATOM 0 H ILE A 27 -5.290 7.432 -3.252 1.00 52.31 H new ATOM 0 HA ILE A 27 -3.288 5.831 -1.980 1.00 24.21 H new ATOM 0 HB ILE A 27 -5.286 5.259 -4.208 1.00 40.05 H new ATOM 0 HG12 ILE A 27 -6.272 5.795 -2.009 1.00 44.25 H new ATOM 0 HG13 ILE A 27 -6.574 4.137 -2.492 1.00 44.25 H new ATOM 0 HG21 ILE A 27 -4.803 2.879 -3.791 1.00 71.24 H new ATOM 0 HG22 ILE A 27 -3.365 3.749 -4.376 1.00 71.24 H new ATOM 0 HG23 ILE A 27 -3.519 3.343 -2.650 1.00 71.24 H new ATOM 0 HD11 ILE A 27 -5.991 4.266 -0.119 1.00 15.21 H new ATOM 0 HD12 ILE A 27 -4.751 3.361 -1.018 1.00 15.21 H new ATOM 0 HD13 ILE A 27 -4.444 5.044 -0.528 1.00 15.21 H new ATOM 426 N SER A 28 -2.770 7.001 -4.962 1.00 44.03 N ATOM 427 CA SER A 28 -1.797 7.122 -6.042 1.00 54.31 C ATOM 428 C SER A 28 -0.392 7.337 -5.486 1.00 11.11 C ATOM 429 O SER A 28 0.537 6.602 -5.821 1.00 54.41 O ATOM 430 CB SER A 28 -2.174 8.281 -6.967 1.00 70.52 C ATOM 431 OG SER A 28 -3.319 7.966 -7.739 1.00 4.14 O ATOM 0 H SER A 28 -3.534 7.676 -5.004 1.00 44.03 H new ATOM 0 HA SER A 28 -1.805 6.193 -6.612 1.00 54.31 H new ATOM 0 HB2 SER A 28 -2.366 9.176 -6.374 1.00 70.52 H new ATOM 0 HB3 SER A 28 -1.338 8.510 -7.628 1.00 70.52 H new ATOM 0 HG SER A 28 -4.031 7.640 -7.150 1.00 4.14 H new ATOM 436 N GLU A 29 -0.247 8.349 -4.636 1.00 4.50 N ATOM 437 CA GLU A 29 1.044 8.660 -4.034 1.00 60.23 C ATOM 438 C GLU A 29 1.398 7.647 -2.949 1.00 20.12 C ATOM 439 O GLU A 29 2.572 7.367 -2.703 1.00 22.12 O ATOM 440 CB GLU A 29 1.030 10.071 -3.444 1.00 33.32 C ATOM 441 CG GLU A 29 1.736 11.101 -4.311 1.00 72.34 C ATOM 442 CD GLU A 29 3.171 10.719 -4.618 1.00 72.32 C ATOM 443 OE1 GLU A 29 3.858 10.210 -3.708 1.00 63.22 O ATOM 444 OE2 GLU A 29 3.607 10.930 -5.769 1.00 22.41 O ATOM 0 H GLU A 29 -1.007 8.966 -4.349 1.00 4.50 H new ATOM 0 HA GLU A 29 1.802 8.608 -4.816 1.00 60.23 H new ATOM 0 HB2 GLU A 29 -0.004 10.382 -3.294 1.00 33.32 H new ATOM 0 HB3 GLU A 29 1.503 10.050 -2.462 1.00 33.32 H new ATOM 0 HG2 GLU A 29 1.188 11.221 -5.246 1.00 72.34 H new ATOM 0 HG3 GLU A 29 1.721 12.067 -3.806 1.00 72.34 H new ATOM 449 N LEU A 30 0.374 7.101 -2.302 1.00 31.22 N ATOM 450 CA LEU A 30 0.574 6.120 -1.241 1.00 23.41 C ATOM 451 C LEU A 30 1.243 4.860 -1.785 1.00 34.20 C ATOM 452 O LEU A 30 2.241 4.390 -1.238 1.00 1.13 O ATOM 453 CB LEU A 30 -0.764 5.761 -0.592 1.00 64.04 C ATOM 454 CG LEU A 30 -0.698 4.789 0.586 1.00 43.23 C ATOM 455 CD1 LEU A 30 -0.617 3.353 0.090 1.00 0.42 C ATOM 456 CD2 LEU A 30 0.490 5.113 1.480 1.00 54.20 C ATOM 0 H LEU A 30 -0.603 7.321 -2.494 1.00 31.22 H new ATOM 0 HA LEU A 30 1.228 6.562 -0.489 1.00 23.41 H new ATOM 0 HB2 LEU A 30 -1.239 6.681 -0.252 1.00 64.04 H new ATOM 0 HB3 LEU A 30 -1.412 5.332 -1.356 1.00 64.04 H new ATOM 0 HG LEU A 30 -1.610 4.899 1.173 1.00 43.23 H new ATOM 0 HD11 LEU A 30 -0.571 2.676 0.943 1.00 0.42 H new ATOM 0 HD12 LEU A 30 -1.499 3.124 -0.508 1.00 0.42 H new ATOM 0 HD13 LEU A 30 0.277 3.229 -0.521 1.00 0.42 H new ATOM 0 HD21 LEU A 30 0.521 4.411 2.313 1.00 54.20 H new ATOM 0 HD22 LEU A 30 1.412 5.033 0.904 1.00 54.20 H new ATOM 0 HD23 LEU A 30 0.390 6.128 1.865 1.00 54.20 H new ATOM 467 N LEU A 31 0.688 4.321 -2.865 1.00 33.32 N ATOM 468 CA LEU A 31 1.232 3.118 -3.484 1.00 33.01 C ATOM 469 C LEU A 31 2.551 3.418 -4.190 1.00 44.14 C ATOM 470 O LEU A 31 3.504 2.643 -4.099 1.00 15.23 O ATOM 471 CB LEU A 31 0.228 2.535 -4.481 1.00 34.40 C ATOM 472 CG LEU A 31 -0.805 1.568 -3.904 1.00 44.13 C ATOM 473 CD1 LEU A 31 -1.786 1.130 -4.981 1.00 53.35 C ATOM 474 CD2 LEU A 31 -0.117 0.360 -3.285 1.00 2.14 C ATOM 0 H LEU A 31 -0.138 4.698 -3.330 1.00 33.32 H new ATOM 0 HA LEU A 31 1.420 2.387 -2.697 1.00 33.01 H new ATOM 0 HB2 LEU A 31 -0.302 3.360 -4.957 1.00 34.40 H new ATOM 0 HB3 LEU A 31 0.782 2.018 -5.264 1.00 34.40 H new ATOM 0 HG LEU A 31 -1.362 2.085 -3.122 1.00 44.13 H new ATOM 0 HD11 LEU A 31 -2.514 0.442 -4.552 1.00 53.35 H new ATOM 0 HD12 LEU A 31 -2.303 2.003 -5.379 1.00 53.35 H new ATOM 0 HD13 LEU A 31 -1.245 0.631 -5.785 1.00 53.35 H new ATOM 0 HD21 LEU A 31 -0.868 -0.318 -2.879 1.00 2.14 H new ATOM 0 HD22 LEU A 31 0.465 -0.158 -4.048 1.00 2.14 H new ATOM 0 HD23 LEU A 31 0.545 0.689 -2.484 1.00 2.14 H new ATOM 485 N GLU A 32 2.599 4.546 -4.890 1.00 71.32 N ATOM 486 CA GLU A 32 3.803 4.947 -5.610 1.00 11.21 C ATOM 487 C GLU A 32 4.969 5.153 -4.647 1.00 22.51 C ATOM 488 O GLU A 32 6.078 4.680 -4.891 1.00 72.25 O ATOM 489 CB GLU A 32 3.546 6.233 -6.399 1.00 41.02 C ATOM 490 CG GLU A 32 4.798 6.818 -7.033 1.00 43.23 C ATOM 491 CD GLU A 32 5.446 5.872 -8.024 1.00 65.41 C ATOM 492 OE1 GLU A 32 4.710 5.108 -8.684 1.00 13.40 O ATOM 493 OE2 GLU A 32 6.689 5.894 -8.141 1.00 61.01 O ATOM 0 H GLU A 32 1.820 5.198 -4.974 1.00 71.32 H new ATOM 0 HA GLU A 32 4.064 4.148 -6.304 1.00 11.21 H new ATOM 0 HB2 GLU A 32 2.814 6.030 -7.181 1.00 41.02 H new ATOM 0 HB3 GLU A 32 3.105 6.975 -5.734 1.00 41.02 H new ATOM 0 HG2 GLU A 32 4.543 7.749 -7.539 1.00 43.23 H new ATOM 0 HG3 GLU A 32 5.515 7.066 -6.251 1.00 43.23 H new ATOM 498 N ARG A 33 4.708 5.860 -3.553 1.00 74.11 N ATOM 499 CA ARG A 33 5.736 6.130 -2.555 1.00 11.21 C ATOM 500 C ARG A 33 6.166 4.844 -1.857 1.00 62.42 C ATOM 501 O ARG A 33 7.359 4.583 -1.692 1.00 33.24 O ATOM 502 CB ARG A 33 5.222 7.135 -1.522 1.00 54.02 C ATOM 503 CG ARG A 33 6.227 7.448 -0.425 1.00 13.54 C ATOM 504 CD ARG A 33 5.600 8.279 0.684 1.00 23.40 C ATOM 505 NE ARG A 33 5.501 9.690 0.322 1.00 31.13 N ATOM 506 CZ ARG A 33 6.545 10.509 0.261 1.00 24.32 C ATOM 507 NH1 ARG A 33 7.761 10.058 0.536 1.00 60.33 N ATOM 508 NH2 ARG A 33 6.375 11.780 -0.077 1.00 24.31 N ATOM 0 H ARG A 33 3.794 6.256 -3.335 1.00 74.11 H new ATOM 0 HA ARG A 33 6.601 6.553 -3.066 1.00 11.21 H new ATOM 0 HB2 ARG A 33 4.952 8.060 -2.031 1.00 54.02 H new ATOM 0 HB3 ARG A 33 4.312 6.743 -1.068 1.00 54.02 H new ATOM 0 HG2 ARG A 33 6.615 6.518 -0.009 1.00 13.54 H new ATOM 0 HG3 ARG A 33 7.075 7.986 -0.849 1.00 13.54 H new ATOM 0 HD2 ARG A 33 4.606 7.892 0.909 1.00 23.40 H new ATOM 0 HD3 ARG A 33 6.194 8.179 1.592 1.00 23.40 H new ATOM 0 HE ARG A 33 4.579 10.068 0.104 1.00 31.13 H new ATOM 0 HH11 ARG A 33 7.896 9.081 0.795 1.00 60.33 H new ATOM 0 HH12 ARG A 33 8.562 10.688 0.489 1.00 60.33 H new ATOM 0 HH21 ARG A 33 5.441 12.130 -0.291 1.00 24.31 H new ATOM 0 HH22 ARG A 33 7.178 12.407 -0.123 1.00 24.31 H new ATOM 519 N LEU A 34 5.189 4.042 -1.448 1.00 71.21 N ATOM 520 CA LEU A 34 5.466 2.782 -0.768 1.00 54.12 C ATOM 521 C LEU A 34 6.190 1.810 -1.694 1.00 71.10 C ATOM 522 O LEU A 34 6.995 0.992 -1.248 1.00 35.50 O ATOM 523 CB LEU A 34 4.165 2.154 -0.266 1.00 42.32 C ATOM 524 CG LEU A 34 3.549 2.790 0.980 1.00 72.10 C ATOM 525 CD1 LEU A 34 2.246 2.095 1.346 1.00 34.14 C ATOM 526 CD2 LEU A 34 4.527 2.739 2.144 1.00 54.22 C ATOM 0 H LEU A 34 4.197 4.242 -1.576 1.00 71.21 H new ATOM 0 HA LEU A 34 6.113 2.992 0.084 1.00 54.12 H new ATOM 0 HB2 LEU A 34 3.431 2.195 -1.071 1.00 42.32 H new ATOM 0 HB3 LEU A 34 4.351 1.100 -0.057 1.00 42.32 H new ATOM 0 HG LEU A 34 3.331 3.835 0.760 1.00 72.10 H new ATOM 0 HD11 LEU A 34 1.822 2.561 2.235 1.00 34.14 H new ATOM 0 HD12 LEU A 34 1.542 2.184 0.519 1.00 34.14 H new ATOM 0 HD13 LEU A 34 2.439 1.041 1.546 1.00 34.14 H new ATOM 0 HD21 LEU A 34 4.071 3.196 3.022 1.00 54.22 H new ATOM 0 HD22 LEU A 34 4.777 1.701 2.364 1.00 54.22 H new ATOM 0 HD23 LEU A 34 5.434 3.283 1.881 1.00 54.22 H new ATOM 537 N LYS A 35 5.899 1.907 -2.987 1.00 44.23 N ATOM 538 CA LYS A 35 6.524 1.039 -3.979 1.00 33.21 C ATOM 539 C LYS A 35 8.044 1.162 -3.928 1.00 44.11 C ATOM 540 O LYS A 35 8.755 0.159 -3.852 1.00 34.02 O ATOM 541 CB LYS A 35 6.020 1.388 -5.381 1.00 73.22 C ATOM 542 CG LYS A 35 6.877 0.812 -6.496 1.00 14.31 C ATOM 543 CD LYS A 35 6.325 1.172 -7.865 1.00 21.21 C ATOM 544 CE LYS A 35 5.695 -0.033 -8.546 1.00 24.01 C ATOM 545 NZ LYS A 35 5.907 -0.012 -10.020 1.00 55.32 N ATOM 0 H LYS A 35 5.234 2.578 -3.373 1.00 44.23 H new ATOM 0 HA LYS A 35 6.252 0.009 -3.748 1.00 33.21 H new ATOM 0 HB2 LYS A 35 4.999 1.022 -5.493 1.00 73.22 H new ATOM 0 HB3 LYS A 35 5.983 2.472 -5.485 1.00 73.22 H new ATOM 0 HG2 LYS A 35 7.896 1.187 -6.403 1.00 14.31 H new ATOM 0 HG3 LYS A 35 6.926 -0.272 -6.396 1.00 14.31 H new ATOM 0 HD2 LYS A 35 5.582 1.963 -7.762 1.00 21.21 H new ATOM 0 HD3 LYS A 35 7.127 1.566 -8.490 1.00 21.21 H new ATOM 0 HE2 LYS A 35 6.119 -0.947 -8.131 1.00 24.01 H new ATOM 0 HE3 LYS A 35 4.626 -0.053 -8.333 1.00 24.01 H new ATOM 0 HZ1 LYS A 35 5.463 -0.850 -10.447 1.00 55.32 H new ATOM 0 HZ2 LYS A 35 5.480 0.848 -10.420 1.00 55.32 H new ATOM 0 HZ3 LYS A 35 6.927 -0.019 -10.224 1.00 55.32 H new ATOM 555 N VAL A 36 8.536 2.396 -3.969 1.00 23.03 N ATOM 556 CA VAL A 36 9.970 2.648 -3.926 1.00 72.32 C ATOM 557 C VAL A 36 10.510 2.509 -2.507 1.00 11.41 C ATOM 558 O VAL A 36 11.632 2.048 -2.302 1.00 53.33 O ATOM 559 CB VAL A 36 10.309 4.054 -4.456 1.00 21.12 C ATOM 560 CG1 VAL A 36 9.619 5.121 -3.621 1.00 41.32 C ATOM 561 CG2 VAL A 36 11.815 4.269 -4.472 1.00 41.24 C ATOM 0 H VAL A 36 7.962 3.237 -4.032 1.00 23.03 H new ATOM 0 HA VAL A 36 10.441 1.903 -4.566 1.00 72.32 H new ATOM 0 HB VAL A 36 9.943 4.135 -5.479 1.00 21.12 H new ATOM 0 HG11 VAL A 36 9.871 6.107 -4.011 1.00 41.32 H new ATOM 0 HG12 VAL A 36 8.539 4.977 -3.667 1.00 41.32 H new ATOM 0 HG13 VAL A 36 9.952 5.044 -2.586 1.00 41.32 H new ATOM 0 HG21 VAL A 36 12.036 5.267 -4.849 1.00 41.24 H new ATOM 0 HG22 VAL A 36 12.208 4.168 -3.460 1.00 41.24 H new ATOM 0 HG23 VAL A 36 12.282 3.525 -5.118 1.00 41.24 H new ATOM 571 N GLU A 37 9.703 2.910 -1.530 1.00 1.22 N ATOM 572 CA GLU A 37 10.100 2.830 -0.129 1.00 22.35 C ATOM 573 C GLU A 37 10.631 1.439 0.206 1.00 52.44 C ATOM 574 O GLU A 37 11.715 1.297 0.772 1.00 61.41 O ATOM 575 CB GLU A 37 8.917 3.169 0.780 1.00 22.24 C ATOM 576 CG GLU A 37 9.197 2.938 2.256 1.00 24.34 C ATOM 577 CD GLU A 37 10.357 3.771 2.765 1.00 73.15 C ATOM 578 OE1 GLU A 37 11.507 3.289 2.703 1.00 44.02 O ATOM 579 OE2 GLU A 37 10.114 4.906 3.227 1.00 45.04 O ATOM 0 H GLU A 37 8.770 3.294 -1.683 1.00 1.22 H new ATOM 0 HA GLU A 37 10.896 3.555 0.039 1.00 22.35 H new ATOM 0 HB2 GLU A 37 8.642 4.213 0.630 1.00 22.24 H new ATOM 0 HB3 GLU A 37 8.058 2.567 0.483 1.00 22.24 H new ATOM 0 HG2 GLU A 37 8.303 3.175 2.833 1.00 24.34 H new ATOM 0 HG3 GLU A 37 9.412 1.882 2.421 1.00 24.34 H new ATOM 584 N TYR A 38 9.859 0.417 -0.144 1.00 4.12 N ATOM 585 CA TYR A 38 10.249 -0.962 0.122 1.00 63.33 C ATOM 586 C TYR A 38 10.924 -1.583 -1.098 1.00 1.15 C ATOM 587 O TYR A 38 11.880 -2.346 -0.972 1.00 5.21 O ATOM 588 CB TYR A 38 9.028 -1.793 0.521 1.00 13.43 C ATOM 589 CG TYR A 38 8.336 -1.291 1.769 1.00 71.42 C ATOM 590 CD1 TYR A 38 8.881 -1.518 3.028 1.00 21.43 C ATOM 591 CD2 TYR A 38 7.141 -0.589 1.689 1.00 12.23 C ATOM 592 CE1 TYR A 38 8.252 -1.062 4.170 1.00 25.20 C ATOM 593 CE2 TYR A 38 6.505 -0.129 2.827 1.00 75.40 C ATOM 594 CZ TYR A 38 7.065 -0.368 4.064 1.00 52.53 C ATOM 595 OH TYR A 38 6.437 0.089 5.200 1.00 2.32 O ATOM 0 H TYR A 38 8.959 0.518 -0.613 1.00 4.12 H new ATOM 0 HA TYR A 38 10.962 -0.958 0.947 1.00 63.33 H new ATOM 0 HB2 TYR A 38 8.315 -1.795 -0.304 1.00 13.43 H new ATOM 0 HB3 TYR A 38 9.338 -2.826 0.678 1.00 13.43 H new ATOM 0 HD1 TYR A 38 9.811 -2.060 3.114 1.00 21.43 H new ATOM 0 HD2 TYR A 38 6.701 -0.399 0.721 1.00 12.23 H new ATOM 0 HE1 TYR A 38 8.687 -1.248 5.141 1.00 25.20 H new ATOM 0 HE2 TYR A 38 5.575 0.414 2.748 1.00 75.40 H new ATOM 0 HH TYR A 38 5.503 -0.209 5.200 1.00 2.32 H new ATOM 604 N GLY A 39 10.416 -1.249 -2.281 1.00 12.02 N ATOM 605 CA GLY A 39 10.981 -1.780 -3.507 1.00 23.12 C ATOM 606 C GLY A 39 9.939 -2.452 -4.381 1.00 75.11 C ATOM 607 O GLY A 39 8.749 -2.429 -4.069 1.00 70.14 O ATOM 0 H GLY A 39 9.623 -0.620 -2.411 1.00 12.02 H new ATOM 0 HA2 GLY A 39 11.453 -0.972 -4.066 1.00 23.12 H new ATOM 0 HA3 GLY A 39 11.763 -2.498 -3.262 1.00 23.12 H new ATOM 611 N SER A 40 10.388 -3.050 -5.480 1.00 44.45 N ATOM 612 CA SER A 40 9.486 -3.726 -6.405 1.00 3.51 C ATOM 613 C SER A 40 8.914 -4.994 -5.777 1.00 62.42 C ATOM 614 O SER A 40 7.785 -5.387 -6.065 1.00 0.23 O ATOM 615 CB SER A 40 10.217 -4.071 -7.703 1.00 63.11 C ATOM 616 OG SER A 40 11.259 -3.147 -7.963 1.00 54.13 O ATOM 0 H SER A 40 11.371 -3.080 -5.751 1.00 44.45 H new ATOM 0 HA SER A 40 8.662 -3.049 -6.630 1.00 3.51 H new ATOM 0 HB2 SER A 40 10.628 -5.078 -7.636 1.00 63.11 H new ATOM 0 HB3 SER A 40 9.511 -4.070 -8.533 1.00 63.11 H new ATOM 0 HG SER A 40 12.092 -3.472 -7.562 1.00 54.13 H new ATOM 621 N GLU A 41 9.706 -5.629 -4.918 1.00 3.40 N ATOM 622 CA GLU A 41 9.279 -6.854 -4.249 1.00 73.40 C ATOM 623 C GLU A 41 7.915 -6.668 -3.592 1.00 73.21 C ATOM 624 O GLU A 41 7.012 -7.487 -3.765 1.00 60.43 O ATOM 625 CB GLU A 41 10.310 -7.274 -3.201 1.00 51.23 C ATOM 626 CG GLU A 41 11.516 -7.990 -3.785 1.00 22.31 C ATOM 627 CD GLU A 41 12.393 -7.074 -4.616 1.00 52.11 C ATOM 628 OE1 GLU A 41 12.629 -5.927 -4.182 1.00 1.24 O ATOM 629 OE2 GLU A 41 12.843 -7.504 -5.699 1.00 13.03 O ATOM 0 H GLU A 41 10.645 -5.317 -4.669 1.00 3.40 H new ATOM 0 HA GLU A 41 9.196 -7.639 -5.001 1.00 73.40 H new ATOM 0 HB2 GLU A 41 10.649 -6.389 -2.663 1.00 51.23 H new ATOM 0 HB3 GLU A 41 9.829 -7.926 -2.472 1.00 51.23 H new ATOM 0 HG2 GLU A 41 12.108 -8.417 -2.975 1.00 22.31 H new ATOM 0 HG3 GLU A 41 11.176 -8.821 -4.403 1.00 22.31 H new ATOM 634 N PHE A 42 7.772 -5.585 -2.835 1.00 54.00 N ATOM 635 CA PHE A 42 6.519 -5.291 -2.149 1.00 34.11 C ATOM 636 C PHE A 42 5.383 -5.104 -3.150 1.00 0.11 C ATOM 637 O PHE A 42 4.331 -5.735 -3.039 1.00 52.21 O ATOM 638 CB PHE A 42 6.667 -4.034 -1.288 1.00 65.10 C ATOM 639 CG PHE A 42 5.391 -3.612 -0.620 1.00 14.55 C ATOM 640 CD1 PHE A 42 5.032 -4.135 0.612 1.00 11.14 C ATOM 641 CD2 PHE A 42 4.548 -2.693 -1.224 1.00 32.23 C ATOM 642 CE1 PHE A 42 3.857 -3.747 1.230 1.00 50.13 C ATOM 643 CE2 PHE A 42 3.373 -2.302 -0.611 1.00 31.42 C ATOM 644 CZ PHE A 42 3.026 -2.831 0.617 1.00 14.01 C ATOM 0 H PHE A 42 8.508 -4.896 -2.681 1.00 54.00 H new ATOM 0 HA PHE A 42 6.278 -6.137 -1.506 1.00 34.11 H new ATOM 0 HB2 PHE A 42 7.425 -4.213 -0.525 1.00 65.10 H new ATOM 0 HB3 PHE A 42 7.029 -3.217 -1.912 1.00 65.10 H new ATOM 0 HD1 PHE A 42 5.677 -4.854 1.095 1.00 11.14 H new ATOM 0 HD2 PHE A 42 4.812 -2.277 -2.185 1.00 32.23 H new ATOM 0 HE1 PHE A 42 3.590 -4.160 2.191 1.00 50.13 H new ATOM 0 HE2 PHE A 42 2.726 -1.583 -1.092 1.00 31.42 H new ATOM 0 HZ PHE A 42 2.107 -2.529 1.096 1.00 14.01 H new ATOM 653 N THR A 43 5.601 -4.231 -4.129 1.00 11.12 N ATOM 654 CA THR A 43 4.596 -3.958 -5.148 1.00 42.42 C ATOM 655 C THR A 43 4.156 -5.242 -5.844 1.00 51.33 C ATOM 656 O THR A 43 2.965 -5.467 -6.058 1.00 72.12 O ATOM 657 CB THR A 43 5.121 -2.969 -6.205 1.00 62.24 C ATOM 658 OG1 THR A 43 6.352 -2.387 -5.762 1.00 74.32 O ATOM 659 CG2 THR A 43 4.103 -1.872 -6.473 1.00 34.45 C ATOM 0 H THR A 43 6.466 -3.701 -4.237 1.00 11.12 H new ATOM 0 HA THR A 43 3.742 -3.513 -4.638 1.00 42.42 H new ATOM 0 HB THR A 43 5.291 -3.518 -7.131 1.00 62.24 H new ATOM 0 HG1 THR A 43 6.176 -1.779 -5.014 1.00 74.32 H new ATOM 0 HG21 THR A 43 4.497 -1.186 -7.223 1.00 34.45 H new ATOM 0 HG22 THR A 43 3.177 -2.316 -6.838 1.00 34.45 H new ATOM 0 HG23 THR A 43 3.905 -1.326 -5.550 1.00 34.45 H new ATOM 667 N LYS A 44 5.124 -6.081 -6.193 1.00 61.42 N ATOM 668 CA LYS A 44 4.838 -7.344 -6.864 1.00 53.43 C ATOM 669 C LYS A 44 4.146 -8.318 -5.915 1.00 61.50 C ATOM 670 O LYS A 44 3.406 -9.201 -6.350 1.00 71.04 O ATOM 671 CB LYS A 44 6.131 -7.967 -7.396 1.00 32.20 C ATOM 672 CG LYS A 44 6.848 -7.100 -8.417 1.00 22.13 C ATOM 673 CD LYS A 44 6.199 -7.200 -9.787 1.00 30.33 C ATOM 674 CE LYS A 44 7.167 -6.806 -10.892 1.00 21.12 C ATOM 675 NZ LYS A 44 8.329 -7.734 -10.969 1.00 51.24 N ATOM 0 H LYS A 44 6.115 -5.910 -6.022 1.00 61.42 H new ATOM 0 HA LYS A 44 4.169 -7.140 -7.700 1.00 53.43 H new ATOM 0 HB2 LYS A 44 6.803 -8.160 -6.559 1.00 32.20 H new ATOM 0 HB3 LYS A 44 5.901 -8.932 -7.848 1.00 32.20 H new ATOM 0 HG2 LYS A 44 6.840 -6.062 -8.084 1.00 22.13 H new ATOM 0 HG3 LYS A 44 7.892 -7.405 -8.485 1.00 22.13 H new ATOM 0 HD2 LYS A 44 5.852 -8.220 -9.953 1.00 30.33 H new ATOM 0 HD3 LYS A 44 5.321 -6.554 -9.823 1.00 30.33 H new ATOM 0 HE2 LYS A 44 6.643 -6.800 -11.848 1.00 21.12 H new ATOM 0 HE3 LYS A 44 7.524 -5.791 -10.717 1.00 21.12 H new ATOM 0 HZ1 LYS A 44 8.702 -7.744 -11.940 1.00 51.24 H new ATOM 0 HZ2 LYS A 44 9.073 -7.414 -10.316 1.00 51.24 H new ATOM 0 HZ3 LYS A 44 8.025 -8.693 -10.705 1.00 51.24 H new ATOM 685 N GLN A 45 4.390 -8.151 -4.620 1.00 14.22 N ATOM 686 CA GLN A 45 3.789 -9.014 -3.611 1.00 25.21 C ATOM 687 C GLN A 45 2.329 -8.643 -3.376 1.00 12.31 C ATOM 688 O GLN A 45 1.472 -9.514 -3.225 1.00 71.30 O ATOM 689 CB GLN A 45 4.569 -8.922 -2.298 1.00 31.10 C ATOM 690 CG GLN A 45 4.382 -10.129 -1.393 1.00 21.52 C ATOM 691 CD GLN A 45 2.938 -10.327 -0.976 1.00 30.32 C ATOM 692 OE1 GLN A 45 2.284 -11.282 -1.396 1.00 64.30 O ATOM 693 NE2 GLN A 45 2.431 -9.423 -0.146 1.00 31.11 N ATOM 0 H GLN A 45 5.000 -7.425 -4.244 1.00 14.22 H new ATOM 0 HA GLN A 45 3.830 -10.040 -3.977 1.00 25.21 H new ATOM 0 HB2 GLN A 45 5.629 -8.808 -2.522 1.00 31.10 H new ATOM 0 HB3 GLN A 45 4.258 -8.025 -1.762 1.00 31.10 H new ATOM 0 HG2 GLN A 45 4.733 -11.023 -1.909 1.00 21.52 H new ATOM 0 HG3 GLN A 45 5.000 -10.011 -0.503 1.00 21.52 H new ATOM 0 HE21 GLN A 45 3.009 -8.647 0.178 1.00 31.11 H new ATOM 0 HE22 GLN A 45 1.464 -9.505 0.168 1.00 31.11 H new ATOM 700 N MET A 46 2.052 -7.343 -3.345 1.00 11.43 N ATOM 701 CA MET A 46 0.695 -6.856 -3.128 1.00 21.33 C ATOM 702 C MET A 46 0.009 -6.547 -4.456 1.00 44.33 C ATOM 703 O MET A 46 -1.104 -6.023 -4.484 1.00 13.21 O ATOM 704 CB MET A 46 0.713 -5.605 -2.248 1.00 34.35 C ATOM 705 CG MET A 46 -0.615 -5.322 -1.565 1.00 21.21 C ATOM 706 SD MET A 46 -0.714 -3.647 -0.905 1.00 24.32 S ATOM 707 CE MET A 46 -1.291 -2.750 -2.344 1.00 21.43 C ATOM 0 H MET A 46 2.749 -6.609 -3.467 1.00 11.43 H new ATOM 0 HA MET A 46 0.132 -7.640 -2.621 1.00 21.33 H new ATOM 0 HB2 MET A 46 1.486 -5.717 -1.488 1.00 34.35 H new ATOM 0 HB3 MET A 46 0.988 -4.745 -2.859 1.00 34.35 H new ATOM 0 HG2 MET A 46 -1.426 -5.476 -2.277 1.00 21.21 H new ATOM 0 HG3 MET A 46 -0.762 -6.037 -0.755 1.00 21.21 H new ATOM 0 HE1 MET A 46 -1.844 -1.867 -2.025 1.00 21.43 H new ATOM 0 HE2 MET A 46 -0.437 -2.444 -2.949 1.00 21.43 H new ATOM 0 HE3 MET A 46 -1.943 -3.392 -2.936 1.00 21.43 H new ATOM 715 N TYR A 47 0.681 -6.877 -5.554 1.00 51.35 N ATOM 716 CA TYR A 47 0.137 -6.633 -6.884 1.00 23.22 C ATOM 717 C TYR A 47 1.102 -7.115 -7.963 1.00 12.13 C ATOM 718 O TYR A 47 2.070 -6.432 -8.296 1.00 51.33 O ATOM 719 CB TYR A 47 -0.155 -5.144 -7.073 1.00 73.23 C ATOM 720 CG TYR A 47 -1.476 -4.867 -7.755 1.00 22.31 C ATOM 721 CD1 TYR A 47 -2.661 -5.399 -7.260 1.00 75.55 C ATOM 722 CD2 TYR A 47 -1.539 -4.074 -8.894 1.00 3.25 C ATOM 723 CE1 TYR A 47 -3.869 -5.149 -7.880 1.00 23.22 C ATOM 724 CE2 TYR A 47 -2.744 -3.818 -9.520 1.00 12.12 C ATOM 725 CZ TYR A 47 -3.906 -4.359 -9.009 1.00 34.45 C ATOM 726 OH TYR A 47 -5.108 -4.106 -9.630 1.00 45.40 O ATOM 0 H TYR A 47 1.603 -7.314 -5.549 1.00 51.35 H new ATOM 0 HA TYR A 47 -0.793 -7.193 -6.977 1.00 23.22 H new ATOM 0 HB2 TYR A 47 -0.149 -4.655 -6.099 1.00 73.23 H new ATOM 0 HB3 TYR A 47 0.648 -4.697 -7.659 1.00 73.23 H new ATOM 0 HD1 TYR A 47 -2.636 -6.018 -6.376 1.00 75.55 H new ATOM 0 HD2 TYR A 47 -0.631 -3.650 -9.297 1.00 3.25 H new ATOM 0 HE1 TYR A 47 -4.780 -5.570 -7.482 1.00 23.22 H new ATOM 0 HE2 TYR A 47 -2.776 -3.198 -10.404 1.00 12.12 H new ATOM 0 HH TYR A 47 -5.350 -4.867 -10.198 1.00 45.40 H new ATOM 735 N ASP A 48 0.829 -8.296 -8.507 1.00 52.54 N ATOM 736 CA ASP A 48 1.671 -8.871 -9.550 1.00 15.24 C ATOM 737 C ASP A 48 0.958 -8.845 -10.899 1.00 32.11 C ATOM 738 O ASP A 48 0.260 -9.790 -11.261 1.00 70.10 O ATOM 739 CB ASP A 48 2.057 -10.306 -9.191 1.00 43.33 C ATOM 740 CG ASP A 48 2.629 -11.065 -10.372 1.00 32.11 C ATOM 741 OD1 ASP A 48 3.818 -10.854 -10.693 1.00 12.10 O ATOM 742 OD2 ASP A 48 1.889 -11.868 -10.977 1.00 41.01 O ATOM 0 H ASP A 48 0.031 -8.874 -8.243 1.00 52.54 H new ATOM 0 HA ASP A 48 2.576 -8.268 -9.625 1.00 15.24 H new ATOM 0 HB2 ASP A 48 2.789 -10.291 -8.384 1.00 43.33 H new ATOM 0 HB3 ASP A 48 1.179 -10.832 -8.816 1.00 43.33 H new ATOM 746 N GLY A 49 1.139 -7.754 -11.637 1.00 2.41 N ATOM 747 CA GLY A 49 0.506 -7.625 -12.937 1.00 11.03 C ATOM 748 C GLY A 49 -0.855 -6.962 -12.855 1.00 73.12 C ATOM 749 O GLY A 49 -0.957 -5.736 -12.860 1.00 34.32 O ATOM 0 H GLY A 49 1.712 -6.958 -11.358 1.00 2.41 H new ATOM 0 HA2 GLY A 49 1.151 -7.044 -13.596 1.00 11.03 H new ATOM 0 HA3 GLY A 49 0.399 -8.613 -13.386 1.00 11.03 H new ATOM 753 N ASN A 50 -1.905 -7.774 -12.782 1.00 71.43 N ATOM 754 CA ASN A 50 -3.265 -7.259 -12.702 1.00 3.15 C ATOM 755 C ASN A 50 -3.926 -7.669 -11.389 1.00 43.32 C ATOM 756 O ASN A 50 -4.893 -7.050 -10.949 1.00 35.02 O ATOM 757 CB ASN A 50 -4.096 -7.766 -13.883 1.00 43.30 C ATOM 758 CG ASN A 50 -3.673 -7.140 -15.198 1.00 0.33 C ATOM 759 OD1 ASN A 50 -3.939 -5.965 -15.452 1.00 72.20 O ATOM 760 ND2 ASN A 50 -3.011 -7.924 -16.041 1.00 11.42 N ATOM 0 H ASN A 50 -1.839 -8.792 -12.777 1.00 71.43 H new ATOM 0 HA ASN A 50 -3.217 -6.171 -12.741 1.00 3.15 H new ATOM 0 HB2 ASN A 50 -4.001 -8.850 -13.952 1.00 43.30 H new ATOM 0 HB3 ASN A 50 -5.149 -7.549 -13.703 1.00 43.30 H new ATOM 0 HD21 ASN A 50 -2.701 -7.558 -16.941 1.00 11.42 H new ATOM 0 HD22 ASN A 50 -2.813 -8.892 -15.788 1.00 11.42 H new ATOM 766 N ASN A 51 -3.395 -8.718 -10.768 1.00 14.34 N ATOM 767 CA ASN A 51 -3.933 -9.210 -9.505 1.00 2.42 C ATOM 768 C ASN A 51 -2.817 -9.738 -8.607 1.00 30.33 C ATOM 769 O ASN A 51 -1.704 -9.993 -9.068 1.00 65.10 O ATOM 770 CB ASN A 51 -4.961 -10.315 -9.761 1.00 14.10 C ATOM 771 CG ASN A 51 -6.314 -9.762 -10.166 1.00 52.41 C ATOM 772 OD1 ASN A 51 -6.586 -9.558 -11.349 1.00 61.23 O ATOM 773 ND2 ASN A 51 -7.170 -9.515 -9.181 1.00 11.54 N ATOM 0 H ASN A 51 -2.594 -9.243 -11.119 1.00 14.34 H new ATOM 0 HA ASN A 51 -4.421 -8.378 -8.998 1.00 2.42 H new ATOM 0 HB2 ASN A 51 -4.592 -10.976 -10.545 1.00 14.10 H new ATOM 0 HB3 ASN A 51 -5.073 -10.919 -8.861 1.00 14.10 H new ATOM 0 HD21 ASN A 51 -8.095 -9.141 -9.391 1.00 11.54 H new ATOM 0 HD22 ASN A 51 -6.902 -9.699 -8.214 1.00 11.54 H new ATOM 779 N LEU A 52 -3.123 -9.898 -7.325 1.00 21.32 N ATOM 780 CA LEU A 52 -2.147 -10.395 -6.362 1.00 30.21 C ATOM 781 C LEU A 52 -1.478 -11.667 -6.873 1.00 62.12 C ATOM 782 O LEU A 52 -2.011 -12.356 -7.743 1.00 54.11 O ATOM 783 CB LEU A 52 -2.822 -10.665 -5.016 1.00 43.33 C ATOM 784 CG LEU A 52 -3.585 -9.493 -4.400 1.00 34.50 C ATOM 785 CD1 LEU A 52 -2.990 -8.170 -4.857 1.00 14.41 C ATOM 786 CD2 LEU A 52 -5.061 -9.568 -4.761 1.00 25.14 C ATOM 0 H LEU A 52 -4.039 -9.691 -6.928 1.00 21.32 H new ATOM 0 HA LEU A 52 -1.381 -9.631 -6.230 1.00 30.21 H new ATOM 0 HB2 LEU A 52 -3.514 -11.498 -5.140 1.00 43.33 H new ATOM 0 HB3 LEU A 52 -2.059 -10.988 -4.308 1.00 43.33 H new ATOM 0 HG LEU A 52 -3.493 -9.555 -3.316 1.00 34.50 H new ATOM 0 HD11 LEU A 52 -3.546 -7.347 -4.408 1.00 14.41 H new ATOM 0 HD12 LEU A 52 -1.946 -8.114 -4.548 1.00 14.41 H new ATOM 0 HD13 LEU A 52 -3.051 -8.100 -5.943 1.00 14.41 H new ATOM 0 HD21 LEU A 52 -5.588 -8.725 -4.314 1.00 25.14 H new ATOM 0 HD22 LEU A 52 -5.173 -9.532 -5.845 1.00 25.14 H new ATOM 0 HD23 LEU A 52 -5.481 -10.500 -4.384 1.00 25.14 H new ATOM 797 N PHE A 53 -0.306 -11.974 -6.326 1.00 53.43 N ATOM 798 CA PHE A 53 0.437 -13.163 -6.724 1.00 24.04 C ATOM 799 C PHE A 53 -0.157 -14.415 -6.084 1.00 43.12 C ATOM 800 O PHE A 53 -0.675 -15.294 -6.775 1.00 73.05 O ATOM 801 CB PHE A 53 1.909 -13.027 -6.333 1.00 54.43 C ATOM 802 CG PHE A 53 2.700 -14.289 -6.525 1.00 73.04 C ATOM 803 CD1 PHE A 53 2.885 -14.820 -7.791 1.00 61.01 C ATOM 804 CD2 PHE A 53 3.259 -14.944 -5.440 1.00 42.32 C ATOM 805 CE1 PHE A 53 3.612 -15.982 -7.970 1.00 32.04 C ATOM 806 CE2 PHE A 53 3.987 -16.106 -5.613 1.00 52.33 C ATOM 807 CZ PHE A 53 4.165 -16.625 -6.880 1.00 3.44 C ATOM 0 H PHE A 53 0.150 -11.415 -5.605 1.00 53.43 H new ATOM 0 HA PHE A 53 0.364 -13.260 -7.807 1.00 24.04 H new ATOM 0 HB2 PHE A 53 2.361 -12.231 -6.924 1.00 54.43 H new ATOM 0 HB3 PHE A 53 1.972 -12.724 -5.288 1.00 54.43 H new ATOM 0 HD1 PHE A 53 2.457 -14.321 -8.647 1.00 61.01 H new ATOM 0 HD2 PHE A 53 3.124 -14.542 -4.447 1.00 42.32 H new ATOM 0 HE1 PHE A 53 3.748 -16.387 -8.962 1.00 32.04 H new ATOM 0 HE2 PHE A 53 4.416 -16.607 -4.758 1.00 52.33 H new ATOM 0 HZ PHE A 53 4.735 -17.532 -7.018 1.00 3.44 H new ATOM 816 N LYS A 54 -0.079 -14.489 -4.760 1.00 23.43 N ATOM 817 CA LYS A 54 -0.608 -15.632 -4.025 1.00 34.11 C ATOM 818 C LYS A 54 -2.085 -15.435 -3.702 1.00 34.14 C ATOM 819 O LYS A 54 -2.924 -16.263 -4.055 1.00 71.25 O ATOM 820 CB LYS A 54 0.183 -15.844 -2.731 1.00 35.31 C ATOM 821 CG LYS A 54 -0.320 -17.006 -1.893 1.00 21.53 C ATOM 822 CD LYS A 54 -0.041 -18.339 -2.567 1.00 22.04 C ATOM 823 CE LYS A 54 1.440 -18.681 -2.536 1.00 75.43 C ATOM 824 NZ LYS A 54 1.672 -20.151 -2.596 1.00 55.15 N ATOM 0 H LYS A 54 0.346 -13.771 -4.173 1.00 23.43 H new ATOM 0 HA LYS A 54 -0.506 -16.515 -4.655 1.00 34.11 H new ATOM 0 HB2 LYS A 54 1.231 -16.013 -2.979 1.00 35.31 H new ATOM 0 HB3 LYS A 54 0.140 -14.932 -2.135 1.00 35.31 H new ATOM 0 HG2 LYS A 54 0.159 -16.984 -0.914 1.00 21.53 H new ATOM 0 HG3 LYS A 54 -1.392 -16.899 -1.726 1.00 21.53 H new ATOM 0 HD2 LYS A 54 -0.607 -19.125 -2.068 1.00 22.04 H new ATOM 0 HD3 LYS A 54 -0.386 -18.304 -3.600 1.00 22.04 H new ATOM 0 HE2 LYS A 54 1.941 -18.200 -3.376 1.00 75.43 H new ATOM 0 HE3 LYS A 54 1.886 -18.280 -1.626 1.00 75.43 H new ATOM 0 HZ1 LYS A 54 2.694 -20.342 -2.573 1.00 55.15 H new ATOM 0 HZ2 LYS A 54 1.215 -20.608 -1.781 1.00 55.15 H new ATOM 0 HZ3 LYS A 54 1.269 -20.530 -3.476 1.00 55.15 H new ATOM 834 N ASN A 55 -2.398 -14.330 -3.031 1.00 43.11 N ATOM 835 CA ASN A 55 -3.776 -14.024 -2.662 1.00 74.14 C ATOM 836 C ASN A 55 -3.821 -12.978 -1.552 1.00 33.25 C ATOM 837 O ASN A 55 -4.544 -13.132 -0.568 1.00 42.11 O ATOM 838 CB ASN A 55 -4.499 -15.294 -2.211 1.00 31.44 C ATOM 839 CG ASN A 55 -5.471 -15.807 -3.256 1.00 63.11 C ATOM 840 OD1 ASN A 55 -6.152 -15.027 -3.922 1.00 44.12 O ATOM 841 ND2 ASN A 55 -5.540 -17.125 -3.404 1.00 10.20 N ATOM 0 H ASN A 55 -1.716 -13.632 -2.732 1.00 43.11 H new ATOM 0 HA ASN A 55 -4.280 -13.620 -3.540 1.00 74.14 H new ATOM 0 HB2 ASN A 55 -3.764 -16.068 -1.991 1.00 31.44 H new ATOM 0 HB3 ASN A 55 -5.038 -15.093 -1.285 1.00 31.44 H new ATOM 0 HD21 ASN A 55 -6.176 -17.528 -4.092 1.00 10.20 H new ATOM 0 HD22 ASN A 55 -4.957 -17.734 -2.830 1.00 10.20 H new ATOM 847 N VAL A 56 -3.045 -11.911 -1.720 1.00 1.11 N ATOM 848 CA VAL A 56 -2.998 -10.838 -0.734 1.00 71.13 C ATOM 849 C VAL A 56 -4.328 -10.096 -0.666 1.00 41.30 C ATOM 850 O VAL A 56 -4.961 -9.842 -1.690 1.00 33.43 O ATOM 851 CB VAL A 56 -1.877 -9.831 -1.053 1.00 40.34 C ATOM 852 CG1 VAL A 56 -1.602 -8.940 0.148 1.00 43.44 C ATOM 853 CG2 VAL A 56 -0.614 -10.561 -1.487 1.00 31.21 C ATOM 0 H VAL A 56 -2.441 -11.767 -2.529 1.00 1.11 H new ATOM 0 HA VAL A 56 -2.795 -11.303 0.231 1.00 71.13 H new ATOM 0 HB VAL A 56 -2.205 -9.197 -1.877 1.00 40.34 H new ATOM 0 HG11 VAL A 56 -0.807 -8.235 -0.096 1.00 43.44 H new ATOM 0 HG12 VAL A 56 -2.507 -8.391 0.408 1.00 43.44 H new ATOM 0 HG13 VAL A 56 -1.295 -9.555 0.994 1.00 43.44 H new ATOM 0 HG21 VAL A 56 0.168 -9.835 -1.709 1.00 31.21 H new ATOM 0 HG22 VAL A 56 -0.281 -11.220 -0.685 1.00 31.21 H new ATOM 0 HG23 VAL A 56 -0.824 -11.152 -2.379 1.00 31.21 H new ATOM 863 N ILE A 57 -4.745 -9.751 0.549 1.00 24.41 N ATOM 864 CA ILE A 57 -5.999 -9.037 0.751 1.00 21.44 C ATOM 865 C ILE A 57 -5.787 -7.778 1.583 1.00 52.14 C ATOM 866 O ILE A 57 -5.542 -7.853 2.788 1.00 22.02 O ATOM 867 CB ILE A 57 -7.049 -9.926 1.443 1.00 64.23 C ATOM 868 CG1 ILE A 57 -7.321 -11.178 0.605 1.00 4.20 C ATOM 869 CG2 ILE A 57 -8.334 -9.147 1.673 1.00 2.23 C ATOM 870 CD1 ILE A 57 -7.928 -12.315 1.398 1.00 23.11 C ATOM 0 H ILE A 57 -4.232 -9.955 1.407 1.00 24.41 H new ATOM 0 HA ILE A 57 -6.366 -8.759 -0.237 1.00 21.44 H new ATOM 0 HB ILE A 57 -6.658 -10.238 2.412 1.00 64.23 H new ATOM 0 HG12 ILE A 57 -7.991 -10.919 -0.214 1.00 4.20 H new ATOM 0 HG13 ILE A 57 -6.386 -11.516 0.157 1.00 4.20 H new ATOM 0 HG21 ILE A 57 -9.066 -9.789 2.163 1.00 2.23 H new ATOM 0 HG22 ILE A 57 -8.128 -8.284 2.306 1.00 2.23 H new ATOM 0 HG23 ILE A 57 -8.731 -8.809 0.716 1.00 2.23 H new ATOM 0 HD11 ILE A 57 -8.094 -13.169 0.741 1.00 23.11 H new ATOM 0 HD12 ILE A 57 -7.249 -12.601 2.201 1.00 23.11 H new ATOM 0 HD13 ILE A 57 -8.879 -11.995 1.824 1.00 23.11 H new ATOM 881 N ILE A 58 -5.884 -6.623 0.934 1.00 55.14 N ATOM 882 CA ILE A 58 -5.705 -5.347 1.617 1.00 24.43 C ATOM 883 C ILE A 58 -6.924 -4.449 1.433 1.00 0.32 C ATOM 884 O ILE A 58 -7.468 -4.341 0.334 1.00 32.30 O ATOM 885 CB ILE A 58 -4.455 -4.606 1.107 1.00 51.31 C ATOM 886 CG1 ILE A 58 -4.665 -3.092 1.185 1.00 50.12 C ATOM 887 CG2 ILE A 58 -4.133 -5.029 -0.318 1.00 23.33 C ATOM 888 CD1 ILE A 58 -3.399 -2.295 0.962 1.00 21.14 C ATOM 0 H ILE A 58 -6.085 -6.544 -0.063 1.00 55.14 H new ATOM 0 HA ILE A 58 -5.578 -5.571 2.676 1.00 24.43 H new ATOM 0 HB ILE A 58 -3.610 -4.870 1.743 1.00 51.31 H new ATOM 0 HG12 ILE A 58 -5.406 -2.797 0.442 1.00 50.12 H new ATOM 0 HG13 ILE A 58 -5.076 -2.840 2.163 1.00 50.12 H new ATOM 0 HG21 ILE A 58 -3.247 -4.497 -0.664 1.00 23.33 H new ATOM 0 HG22 ILE A 58 -3.945 -6.102 -0.345 1.00 23.33 H new ATOM 0 HG23 ILE A 58 -4.976 -4.792 -0.967 1.00 23.33 H new ATOM 0 HD11 ILE A 58 -3.622 -1.230 1.031 1.00 21.14 H new ATOM 0 HD12 ILE A 58 -2.663 -2.562 1.720 1.00 21.14 H new ATOM 0 HD13 ILE A 58 -2.998 -2.518 -0.027 1.00 21.14 H new ATOM 899 N LEU A 59 -7.347 -3.807 2.516 1.00 11.13 N ATOM 900 CA LEU A 59 -8.502 -2.916 2.475 1.00 32.20 C ATOM 901 C LEU A 59 -8.117 -1.505 2.906 1.00 12.30 C ATOM 902 O LEU A 59 -7.398 -1.320 3.888 1.00 40.31 O ATOM 903 CB LEU A 59 -9.616 -3.451 3.375 1.00 44.02 C ATOM 904 CG LEU A 59 -10.493 -4.551 2.776 1.00 25.05 C ATOM 905 CD1 LEU A 59 -11.016 -5.472 3.868 1.00 64.12 C ATOM 906 CD2 LEU A 59 -11.647 -3.944 1.991 1.00 0.34 C ATOM 0 H LEU A 59 -6.908 -3.886 3.433 1.00 11.13 H new ATOM 0 HA LEU A 59 -8.862 -2.876 1.447 1.00 32.20 H new ATOM 0 HB2 LEU A 59 -9.164 -3.833 4.291 1.00 44.02 H new ATOM 0 HB3 LEU A 59 -10.258 -2.617 3.660 1.00 44.02 H new ATOM 0 HG LEU A 59 -9.884 -5.142 2.092 1.00 25.05 H new ATOM 0 HD11 LEU A 59 -11.638 -6.248 3.422 1.00 64.12 H new ATOM 0 HD12 LEU A 59 -10.176 -5.934 4.388 1.00 64.12 H new ATOM 0 HD13 LEU A 59 -11.609 -4.895 4.578 1.00 64.12 H new ATOM 0 HD21 LEU A 59 -12.261 -4.741 1.572 1.00 0.34 H new ATOM 0 HD22 LEU A 59 -12.255 -3.329 2.655 1.00 0.34 H new ATOM 0 HD23 LEU A 59 -11.253 -3.327 1.184 1.00 0.34 H new ATOM 917 N VAL A 60 -8.602 -0.512 2.168 1.00 52.20 N ATOM 918 CA VAL A 60 -8.312 0.883 2.477 1.00 34.51 C ATOM 919 C VAL A 60 -9.516 1.568 3.113 1.00 4.13 C ATOM 920 O VAL A 60 -10.574 1.684 2.497 1.00 60.54 O ATOM 921 CB VAL A 60 -7.899 1.663 1.214 1.00 13.02 C ATOM 922 CG1 VAL A 60 -7.612 3.117 1.555 1.00 73.33 C ATOM 923 CG2 VAL A 60 -6.692 1.012 0.557 1.00 20.42 C ATOM 0 H VAL A 60 -9.198 -0.648 1.351 1.00 52.20 H new ATOM 0 HA VAL A 60 -7.482 0.884 3.184 1.00 34.51 H new ATOM 0 HB VAL A 60 -8.727 1.638 0.505 1.00 13.02 H new ATOM 0 HG11 VAL A 60 -7.322 3.652 0.651 1.00 73.33 H new ATOM 0 HG12 VAL A 60 -8.507 3.575 1.977 1.00 73.33 H new ATOM 0 HG13 VAL A 60 -6.802 3.167 2.282 1.00 73.33 H new ATOM 0 HG21 VAL A 60 -6.414 1.576 -0.333 1.00 20.42 H new ATOM 0 HG22 VAL A 60 -5.857 1.004 1.257 1.00 20.42 H new ATOM 0 HG23 VAL A 60 -6.939 -0.012 0.276 1.00 20.42 H new ATOM 933 N ASN A 61 -9.347 2.020 4.352 1.00 63.31 N ATOM 934 CA ASN A 61 -10.420 2.693 5.072 1.00 1.24 C ATOM 935 C ASN A 61 -11.612 1.759 5.272 1.00 74.34 C ATOM 936 O ASN A 61 -12.764 2.173 5.156 1.00 52.11 O ATOM 937 CB ASN A 61 -10.863 3.947 4.316 1.00 22.41 C ATOM 938 CG ASN A 61 -11.819 4.803 5.124 1.00 0.32 C ATOM 939 OD1 ASN A 61 -11.452 5.085 6.369 1.00 11.41 O flip ATOM 940 ND2 ASN A 61 -12.874 5.206 4.634 1.00 21.42 N flip ATOM 0 H ASN A 61 -8.477 1.932 4.877 1.00 63.31 H new ATOM 0 HA ASN A 61 -10.039 2.983 6.051 1.00 1.24 H new ATOM 0 HB2 ASN A 61 -9.986 4.538 4.052 1.00 22.41 H new ATOM 0 HB3 ASN A 61 -11.343 3.654 3.382 1.00 22.41 H new ATOM 0 HD21 ASN A 61 -13.115 4.964 3.673 1.00 21.42 H new ATOM 0 HD22 ASN A 61 -13.507 5.782 5.189 1.00 21.42 H new ATOM 946 N GLY A 62 -11.323 0.497 5.572 1.00 40.25 N ATOM 947 CA GLY A 62 -12.379 -0.475 5.783 1.00 71.32 C ATOM 948 C GLY A 62 -13.324 -0.570 4.602 1.00 71.51 C ATOM 949 O GLY A 62 -14.530 -0.736 4.776 1.00 1.54 O ATOM 0 H GLY A 62 -10.377 0.130 5.673 1.00 40.25 H new ATOM 0 HA2 GLY A 62 -11.936 -1.453 5.970 1.00 71.32 H new ATOM 0 HA3 GLY A 62 -12.944 -0.205 6.675 1.00 71.32 H new ATOM 953 N ASN A 63 -12.775 -0.464 3.397 1.00 75.35 N ATOM 954 CA ASN A 63 -13.578 -0.536 2.181 1.00 14.33 C ATOM 955 C ASN A 63 -12.690 -0.527 0.941 1.00 15.04 C ATOM 956 O ASN A 63 -11.962 0.435 0.693 1.00 43.21 O ATOM 957 CB ASN A 63 -14.563 0.633 2.126 1.00 14.41 C ATOM 958 CG ASN A 63 -15.842 0.279 1.392 1.00 44.13 C ATOM 959 OD1 ASN A 63 -15.911 0.364 0.166 1.00 62.24 O ATOM 960 ND2 ASN A 63 -16.862 -0.123 2.141 1.00 40.01 N ATOM 0 H ASN A 63 -11.777 -0.328 3.236 1.00 75.35 H new ATOM 0 HA ASN A 63 -14.136 -1.472 2.199 1.00 14.33 H new ATOM 0 HB2 ASN A 63 -14.805 0.948 3.141 1.00 14.41 H new ATOM 0 HB3 ASN A 63 -14.088 1.482 1.634 1.00 14.41 H new ATOM 0 HD21 ASN A 63 -17.748 -0.376 1.703 1.00 40.01 H new ATOM 0 HD22 ASN A 63 -16.760 -0.178 3.154 1.00 40.01 H new ATOM 966 N ASN A 64 -12.756 -1.603 0.164 1.00 54.51 N ATOM 967 CA ASN A 64 -11.959 -1.719 -1.051 1.00 63.13 C ATOM 968 C ASN A 64 -12.132 -0.488 -1.935 1.00 72.13 C ATOM 969 O ASN A 64 -13.254 -0.089 -2.248 1.00 54.21 O ATOM 970 CB ASN A 64 -12.354 -2.978 -1.827 1.00 74.42 C ATOM 971 CG ASN A 64 -13.854 -3.195 -1.850 1.00 43.15 C ATOM 972 OD1 ASN A 64 -14.369 -3.865 -0.824 1.00 41.04 O flip ATOM 973 ND2 ASN A 64 -14.541 -2.767 -2.777 1.00 24.34 N flip ATOM 0 H ASN A 64 -13.354 -2.407 0.354 1.00 54.51 H new ATOM 0 HA ASN A 64 -10.911 -1.792 -0.762 1.00 63.13 H new ATOM 0 HB2 ASN A 64 -11.985 -2.902 -2.850 1.00 74.42 H new ATOM 0 HB3 ASN A 64 -11.871 -3.845 -1.377 1.00 74.42 H new ATOM 0 HD21 ASN A 64 -14.102 -2.258 -3.544 1.00 24.34 H new ATOM 0 HD22 ASN A 64 -15.549 -2.921 -2.778 1.00 24.34 H new ATOM 979 N ILE A 65 -11.014 0.109 -2.334 1.00 33.31 N ATOM 980 CA ILE A 65 -11.042 1.294 -3.184 1.00 62.04 C ATOM 981 C ILE A 65 -11.837 1.037 -4.459 1.00 64.43 C ATOM 982 O ILE A 65 -12.395 1.959 -5.053 1.00 35.34 O ATOM 983 CB ILE A 65 -9.621 1.750 -3.561 1.00 62.14 C ATOM 984 CG1 ILE A 65 -8.900 0.650 -4.343 1.00 74.45 C ATOM 985 CG2 ILE A 65 -8.834 2.121 -2.313 1.00 32.12 C ATOM 986 CD1 ILE A 65 -7.471 0.999 -4.701 1.00 52.21 C ATOM 0 H ILE A 65 -10.078 -0.208 -2.083 1.00 33.31 H new ATOM 0 HA ILE A 65 -11.527 2.083 -2.609 1.00 62.04 H new ATOM 0 HB ILE A 65 -9.696 2.633 -4.196 1.00 62.14 H new ATOM 0 HG12 ILE A 65 -8.905 -0.266 -3.753 1.00 74.45 H new ATOM 0 HG13 ILE A 65 -9.455 0.443 -5.258 1.00 74.45 H new ATOM 0 HG21 ILE A 65 -7.832 2.441 -2.597 1.00 32.12 H new ATOM 0 HG22 ILE A 65 -9.340 2.933 -1.792 1.00 32.12 H new ATOM 0 HG23 ILE A 65 -8.765 1.255 -1.655 1.00 32.12 H new ATOM 0 HD11 ILE A 65 -7.022 0.174 -5.254 1.00 52.21 H new ATOM 0 HD12 ILE A 65 -7.460 1.898 -5.318 1.00 52.21 H new ATOM 0 HD13 ILE A 65 -6.901 1.177 -3.789 1.00 52.21 H new ATOM 997 N THR A 66 -11.885 -0.225 -4.876 1.00 10.44 N ATOM 998 CA THR A 66 -12.613 -0.604 -6.080 1.00 44.41 C ATOM 999 C THR A 66 -14.089 -0.241 -5.969 1.00 43.51 C ATOM 1000 O THR A 66 -14.761 -0.017 -6.976 1.00 40.33 O ATOM 1001 CB THR A 66 -12.487 -2.114 -6.360 1.00 4.10 C ATOM 1002 OG1 THR A 66 -12.963 -2.863 -5.235 1.00 35.42 O ATOM 1003 CG2 THR A 66 -11.043 -2.492 -6.652 1.00 72.53 C ATOM 0 H THR A 66 -11.428 -1.001 -4.397 1.00 10.44 H new ATOM 0 HA THR A 66 -12.167 -0.050 -6.906 1.00 44.41 H new ATOM 0 HB THR A 66 -13.092 -2.350 -7.235 1.00 4.10 H new ATOM 0 HG1 THR A 66 -12.881 -3.822 -5.422 1.00 35.42 H new ATOM 0 HG21 THR A 66 -10.979 -3.563 -6.846 1.00 72.53 H new ATOM 0 HG22 THR A 66 -10.693 -1.943 -7.526 1.00 72.53 H new ATOM 0 HG23 THR A 66 -10.421 -2.242 -5.793 1.00 72.53 H new ATOM 1011 N SER A 67 -14.589 -0.185 -4.738 1.00 73.01 N ATOM 1012 CA SER A 67 -15.987 0.149 -4.496 1.00 5.14 C ATOM 1013 C SER A 67 -16.392 1.395 -5.276 1.00 13.15 C ATOM 1014 O SER A 67 -17.450 1.432 -5.904 1.00 13.32 O ATOM 1015 CB SER A 67 -16.230 0.367 -3.002 1.00 14.21 C ATOM 1016 OG SER A 67 -17.606 0.245 -2.684 1.00 65.43 O ATOM 0 H SER A 67 -14.046 -0.367 -3.894 1.00 73.01 H new ATOM 0 HA SER A 67 -16.598 -0.686 -4.838 1.00 5.14 H new ATOM 0 HB2 SER A 67 -15.655 -0.359 -2.427 1.00 14.21 H new ATOM 0 HB3 SER A 67 -15.873 1.356 -2.713 1.00 14.21 H new ATOM 0 HG SER A 67 -17.733 0.387 -1.723 1.00 65.43 H new ATOM 1021 N MET A 68 -15.541 2.415 -5.232 1.00 1.05 N ATOM 1022 CA MET A 68 -15.809 3.664 -5.935 1.00 32.54 C ATOM 1023 C MET A 68 -14.706 3.968 -6.944 1.00 65.15 C ATOM 1024 O MET A 68 -14.889 3.801 -8.150 1.00 10.33 O ATOM 1025 CB MET A 68 -15.937 4.818 -4.939 1.00 75.54 C ATOM 1026 CG MET A 68 -15.295 4.531 -3.591 1.00 23.05 C ATOM 1027 SD MET A 68 -15.450 5.911 -2.440 1.00 21.40 S ATOM 1028 CE MET A 68 -16.900 5.418 -1.514 1.00 5.35 C ATOM 0 H MET A 68 -14.661 2.401 -4.717 1.00 1.05 H new ATOM 0 HA MET A 68 -16.750 3.553 -6.474 1.00 32.54 H new ATOM 0 HB2 MET A 68 -15.480 5.710 -5.368 1.00 75.54 H new ATOM 0 HB3 MET A 68 -16.993 5.042 -4.789 1.00 75.54 H new ATOM 0 HG2 MET A 68 -15.756 3.645 -3.154 1.00 23.05 H new ATOM 0 HG3 MET A 68 -14.239 4.302 -3.737 1.00 23.05 H new ATOM 0 HE1 MET A 68 -17.124 6.173 -0.760 1.00 5.35 H new ATOM 0 HE2 MET A 68 -17.748 5.318 -2.192 1.00 5.35 H new ATOM 0 HE3 MET A 68 -16.712 4.462 -1.025 1.00 5.35 H new ATOM 1036 N LYS A 69 -13.559 4.413 -6.444 1.00 51.04 N ATOM 1037 CA LYS A 69 -12.424 4.738 -7.300 1.00 62.32 C ATOM 1038 C LYS A 69 -11.189 3.941 -6.894 1.00 2.11 C ATOM 1039 O LYS A 69 -10.821 3.902 -5.720 1.00 3.21 O ATOM 1040 CB LYS A 69 -12.121 6.237 -7.233 1.00 24.14 C ATOM 1041 CG LYS A 69 -13.010 7.077 -8.134 1.00 71.51 C ATOM 1042 CD LYS A 69 -13.041 8.529 -7.688 1.00 73.41 C ATOM 1043 CE LYS A 69 -14.023 8.741 -6.546 1.00 10.31 C ATOM 1044 NZ LYS A 69 -13.351 8.684 -5.218 1.00 63.40 N ATOM 0 H LYS A 69 -13.390 4.557 -5.448 1.00 51.04 H new ATOM 0 HA LYS A 69 -12.686 4.471 -8.324 1.00 62.32 H new ATOM 0 HB2 LYS A 69 -12.236 6.577 -6.204 1.00 24.14 H new ATOM 0 HB3 LYS A 69 -11.079 6.401 -7.509 1.00 24.14 H new ATOM 0 HG2 LYS A 69 -12.649 7.018 -9.161 1.00 71.51 H new ATOM 0 HG3 LYS A 69 -14.022 6.672 -8.129 1.00 71.51 H new ATOM 0 HD2 LYS A 69 -12.043 8.835 -7.373 1.00 73.41 H new ATOM 0 HD3 LYS A 69 -13.318 9.163 -8.530 1.00 73.41 H new ATOM 0 HE2 LYS A 69 -14.513 9.707 -6.664 1.00 10.31 H new ATOM 0 HE3 LYS A 69 -14.802 7.980 -6.591 1.00 10.31 H new ATOM 0 HZ1 LYS A 69 -13.729 7.884 -4.672 1.00 63.40 H new ATOM 0 HZ2 LYS A 69 -12.327 8.559 -5.352 1.00 63.40 H new ATOM 0 HZ3 LYS A 69 -13.527 9.569 -4.701 1.00 63.40 H new ATOM 1054 N GLY A 70 -10.551 3.306 -7.873 1.00 74.21 N ATOM 1055 CA GLY A 70 -9.362 2.521 -7.597 1.00 4.43 C ATOM 1056 C GLY A 70 -8.264 3.338 -6.947 1.00 32.40 C ATOM 1057 O GLY A 70 -8.286 3.572 -5.738 1.00 34.13 O ATOM 0 H GLY A 70 -10.837 3.321 -8.852 1.00 74.21 H new ATOM 0 HA2 GLY A 70 -9.624 1.688 -6.945 1.00 4.43 H new ATOM 0 HA3 GLY A 70 -8.989 2.093 -8.528 1.00 4.43 H new ATOM 1061 N LEU A 71 -7.299 3.772 -7.749 1.00 71.40 N ATOM 1062 CA LEU A 71 -6.185 4.567 -7.246 1.00 74.02 C ATOM 1063 C LEU A 71 -6.614 6.009 -6.995 1.00 14.23 C ATOM 1064 O LEU A 71 -5.930 6.760 -6.300 1.00 74.31 O ATOM 1065 CB LEU A 71 -5.020 4.536 -8.237 1.00 42.21 C ATOM 1066 CG LEU A 71 -3.618 4.546 -7.625 1.00 60.33 C ATOM 1067 CD1 LEU A 71 -3.319 3.215 -6.954 1.00 61.21 C ATOM 1068 CD2 LEU A 71 -2.574 4.855 -8.689 1.00 11.45 C ATOM 0 H LEU A 71 -7.265 3.587 -8.751 1.00 71.40 H new ATOM 0 HA LEU A 71 -5.861 4.133 -6.300 1.00 74.02 H new ATOM 0 HB2 LEU A 71 -5.119 3.644 -8.855 1.00 42.21 H new ATOM 0 HB3 LEU A 71 -5.111 5.396 -8.901 1.00 42.21 H new ATOM 0 HG LEU A 71 -3.579 5.329 -6.867 1.00 60.33 H new ATOM 0 HD11 LEU A 71 -2.318 3.241 -6.524 1.00 61.21 H new ATOM 0 HD12 LEU A 71 -4.048 3.034 -6.164 1.00 61.21 H new ATOM 0 HD13 LEU A 71 -3.377 2.415 -7.692 1.00 61.21 H new ATOM 0 HD21 LEU A 71 -1.583 4.858 -8.236 1.00 11.45 H new ATOM 0 HD22 LEU A 71 -2.614 4.095 -9.469 1.00 11.45 H new ATOM 0 HD23 LEU A 71 -2.777 5.833 -9.125 1.00 11.45 H new ATOM 1079 N ASP A 72 -7.753 6.389 -7.564 1.00 14.52 N ATOM 1080 CA ASP A 72 -8.277 7.741 -7.400 1.00 50.42 C ATOM 1081 C ASP A 72 -8.892 7.921 -6.016 1.00 41.25 C ATOM 1082 O ASP A 72 -9.229 9.035 -5.613 1.00 64.53 O ATOM 1083 CB ASP A 72 -9.320 8.041 -8.477 1.00 71.42 C ATOM 1084 CG ASP A 72 -8.735 8.798 -9.654 1.00 3.04 C ATOM 1085 OD1 ASP A 72 -7.700 8.352 -10.192 1.00 41.00 O ATOM 1086 OD2 ASP A 72 -9.311 9.838 -10.036 1.00 14.41 O ATOM 0 H ASP A 72 -8.331 5.780 -8.143 1.00 14.52 H new ATOM 0 HA ASP A 72 -7.447 8.440 -7.504 1.00 50.42 H new ATOM 0 HB2 ASP A 72 -9.753 7.105 -8.830 1.00 71.42 H new ATOM 0 HB3 ASP A 72 -10.131 8.624 -8.041 1.00 71.42 H new ATOM 1090 N THR A 73 -9.036 6.816 -5.289 1.00 20.13 N ATOM 1091 CA THR A 73 -9.612 6.852 -3.951 1.00 23.12 C ATOM 1092 C THR A 73 -8.777 7.719 -3.016 1.00 43.33 C ATOM 1093 O THR A 73 -7.567 7.528 -2.894 1.00 13.01 O ATOM 1094 CB THR A 73 -9.730 5.437 -3.353 1.00 11.40 C ATOM 1095 OG1 THR A 73 -11.082 4.973 -3.457 1.00 61.54 O ATOM 1096 CG2 THR A 73 -9.297 5.428 -1.895 1.00 63.33 C ATOM 0 H THR A 73 -8.761 5.886 -5.605 1.00 20.13 H new ATOM 0 HA THR A 73 -10.609 7.283 -4.047 1.00 23.12 H new ATOM 0 HB THR A 73 -9.073 4.773 -3.915 1.00 11.40 H new ATOM 0 HG1 THR A 73 -11.287 4.769 -4.393 1.00 61.54 H new ATOM 0 HG21 THR A 73 -9.389 4.418 -1.494 1.00 63.33 H new ATOM 0 HG22 THR A 73 -8.260 5.754 -1.822 1.00 63.33 H new ATOM 0 HG23 THR A 73 -9.932 6.105 -1.323 1.00 63.33 H new ATOM 1104 N GLU A 74 -9.430 8.670 -2.357 1.00 13.31 N ATOM 1105 CA GLU A 74 -8.746 9.566 -1.432 1.00 41.24 C ATOM 1106 C GLU A 74 -8.558 8.902 -0.071 1.00 60.34 C ATOM 1107 O GLU A 74 -9.232 7.924 0.253 1.00 43.44 O ATOM 1108 CB GLU A 74 -9.533 10.868 -1.271 1.00 20.24 C ATOM 1109 CG GLU A 74 -10.809 10.712 -0.460 1.00 51.11 C ATOM 1110 CD GLU A 74 -11.534 12.028 -0.254 1.00 24.13 C ATOM 1111 OE1 GLU A 74 -11.124 13.035 -0.868 1.00 63.23 O ATOM 1112 OE2 GLU A 74 -12.513 12.049 0.520 1.00 3.55 O ATOM 0 H GLU A 74 -10.432 8.840 -2.446 1.00 13.31 H new ATOM 0 HA GLU A 74 -7.764 9.793 -1.846 1.00 41.24 H new ATOM 0 HB2 GLU A 74 -8.896 11.611 -0.791 1.00 20.24 H new ATOM 0 HB3 GLU A 74 -9.785 11.255 -2.258 1.00 20.24 H new ATOM 0 HG2 GLU A 74 -11.473 10.011 -0.966 1.00 51.11 H new ATOM 0 HG3 GLU A 74 -10.567 10.279 0.511 1.00 51.11 H new ATOM 1117 N ILE A 75 -7.635 9.440 0.721 1.00 12.24 N ATOM 1118 CA ILE A 75 -7.358 8.901 2.046 1.00 51.33 C ATOM 1119 C ILE A 75 -6.910 10.000 3.004 1.00 1.10 C ATOM 1120 O ILE A 75 -5.866 10.621 2.810 1.00 63.34 O ATOM 1121 CB ILE A 75 -6.273 7.808 1.994 1.00 34.43 C ATOM 1122 CG1 ILE A 75 -5.118 8.249 1.093 1.00 22.42 C ATOM 1123 CG2 ILE A 75 -6.866 6.497 1.500 1.00 3.00 C ATOM 1124 CD1 ILE A 75 -4.003 7.232 0.999 1.00 71.04 C ATOM 0 H ILE A 75 -7.067 10.248 0.467 1.00 12.24 H new ATOM 0 HA ILE A 75 -8.288 8.462 2.409 1.00 51.33 H new ATOM 0 HB ILE A 75 -5.885 7.653 3.001 1.00 34.43 H new ATOM 0 HG12 ILE A 75 -5.503 8.447 0.093 1.00 22.42 H new ATOM 0 HG13 ILE A 75 -4.712 9.188 1.470 1.00 22.42 H new ATOM 0 HG21 ILE A 75 -6.088 5.735 1.469 1.00 3.00 H new ATOM 0 HG22 ILE A 75 -7.659 6.178 2.177 1.00 3.00 H new ATOM 0 HG23 ILE A 75 -7.277 6.637 0.500 1.00 3.00 H new ATOM 0 HD11 ILE A 75 -3.219 7.611 0.344 1.00 71.04 H new ATOM 0 HD12 ILE A 75 -3.591 7.051 1.992 1.00 71.04 H new ATOM 0 HD13 ILE A 75 -4.395 6.299 0.593 1.00 71.04 H new ATOM 1135 N LYS A 76 -7.708 10.234 4.040 1.00 71.02 N ATOM 1136 CA LYS A 76 -7.394 11.256 5.032 1.00 41.32 C ATOM 1137 C LYS A 76 -6.657 10.650 6.223 1.00 3.33 C ATOM 1138 O LYS A 76 -6.495 9.433 6.310 1.00 4.11 O ATOM 1139 CB LYS A 76 -8.676 11.944 5.509 1.00 74.42 C ATOM 1140 CG LYS A 76 -9.483 12.569 4.385 1.00 32.43 C ATOM 1141 CD LYS A 76 -10.512 13.552 4.918 1.00 14.52 C ATOM 1142 CE LYS A 76 -9.895 14.916 5.185 1.00 10.03 C ATOM 1143 NZ LYS A 76 -10.797 15.785 5.991 1.00 22.14 N ATOM 0 H LYS A 76 -8.577 9.730 4.215 1.00 71.02 H new ATOM 0 HA LYS A 76 -6.745 11.995 4.563 1.00 41.32 H new ATOM 0 HB2 LYS A 76 -9.297 11.216 6.030 1.00 74.42 H new ATOM 0 HB3 LYS A 76 -8.416 12.717 6.232 1.00 74.42 H new ATOM 0 HG2 LYS A 76 -8.812 13.081 3.695 1.00 32.43 H new ATOM 0 HG3 LYS A 76 -9.986 11.786 3.818 1.00 32.43 H new ATOM 0 HD2 LYS A 76 -11.325 13.654 4.200 1.00 14.52 H new ATOM 0 HD3 LYS A 76 -10.947 13.162 5.838 1.00 14.52 H new ATOM 0 HE2 LYS A 76 -8.948 14.790 5.710 1.00 10.03 H new ATOM 0 HE3 LYS A 76 -9.671 15.405 4.237 1.00 10.03 H new ATOM 0 HZ1 LYS A 76 -10.340 16.705 6.151 1.00 22.14 H new ATOM 0 HZ2 LYS A 76 -11.691 15.927 5.479 1.00 22.14 H new ATOM 0 HZ3 LYS A 76 -10.990 15.330 6.906 1.00 22.14 H new ATOM 1153 N ASP A 77 -6.216 11.507 7.137 1.00 64.10 N ATOM 1154 CA ASP A 77 -5.499 11.055 8.324 1.00 35.21 C ATOM 1155 C ASP A 77 -6.334 10.056 9.118 1.00 23.55 C ATOM 1156 O ASP A 77 -5.800 9.248 9.877 1.00 22.50 O ATOM 1157 CB ASP A 77 -5.132 12.249 9.208 1.00 45.20 C ATOM 1158 CG ASP A 77 -6.342 12.858 9.888 1.00 14.40 C ATOM 1159 OD1 ASP A 77 -7.231 13.367 9.173 1.00 61.23 O ATOM 1160 OD2 ASP A 77 -6.401 12.829 11.135 1.00 42.21 O ATOM 0 H ASP A 77 -6.342 12.518 7.079 1.00 64.10 H new ATOM 0 HA ASP A 77 -4.585 10.558 7.999 1.00 35.21 H new ATOM 0 HB2 ASP A 77 -4.415 11.930 9.965 1.00 45.20 H new ATOM 0 HB3 ASP A 77 -4.639 13.009 8.602 1.00 45.20 H new ATOM 1164 N ASP A 78 -7.649 10.117 8.937 1.00 13.13 N ATOM 1165 CA ASP A 78 -8.560 9.219 9.635 1.00 45.31 C ATOM 1166 C ASP A 78 -8.578 7.843 8.976 1.00 21.00 C ATOM 1167 O ASP A 78 -8.861 6.836 9.625 1.00 63.32 O ATOM 1168 CB ASP A 78 -9.972 9.804 9.658 1.00 15.53 C ATOM 1169 CG ASP A 78 -10.845 9.172 10.725 1.00 34.33 C ATOM 1170 OD1 ASP A 78 -10.468 9.238 11.913 1.00 45.44 O ATOM 1171 OD2 ASP A 78 -11.904 8.613 10.372 1.00 64.34 O ATOM 0 H ASP A 78 -8.108 10.780 8.312 1.00 13.13 H new ATOM 0 HA ASP A 78 -8.205 9.108 10.660 1.00 45.31 H new ATOM 0 HB2 ASP A 78 -9.914 10.879 9.830 1.00 15.53 H new ATOM 0 HB3 ASP A 78 -10.436 9.662 8.682 1.00 15.53 H new ATOM 1175 N ASP A 79 -8.274 7.808 7.683 1.00 0.34 N ATOM 1176 CA ASP A 79 -8.256 6.557 6.935 1.00 63.05 C ATOM 1177 C ASP A 79 -7.152 5.636 7.446 1.00 45.31 C ATOM 1178 O ASP A 79 -6.199 6.084 8.084 1.00 24.24 O ATOM 1179 CB ASP A 79 -8.057 6.832 5.443 1.00 52.33 C ATOM 1180 CG ASP A 79 -9.274 7.471 4.806 1.00 12.35 C ATOM 1181 OD1 ASP A 79 -9.830 8.417 5.404 1.00 12.22 O ATOM 1182 OD2 ASP A 79 -9.672 7.028 3.709 1.00 75.41 O ATOM 0 H ASP A 79 -8.037 8.632 7.131 1.00 0.34 H new ATOM 0 HA ASP A 79 -9.216 6.061 7.080 1.00 63.05 H new ATOM 0 HB2 ASP A 79 -7.195 7.485 5.309 1.00 52.33 H new ATOM 0 HB3 ASP A 79 -7.831 5.897 4.931 1.00 52.33 H new ATOM 1186 N LYS A 80 -7.289 4.344 7.163 1.00 72.25 N ATOM 1187 CA LYS A 80 -6.304 3.358 7.593 1.00 34.12 C ATOM 1188 C LYS A 80 -6.207 2.213 6.590 1.00 75.11 C ATOM 1189 O LYS A 80 -7.220 1.740 6.075 1.00 22.33 O ATOM 1190 CB LYS A 80 -6.670 2.811 8.975 1.00 22.33 C ATOM 1191 CG LYS A 80 -8.135 2.432 9.110 1.00 4.34 C ATOM 1192 CD LYS A 80 -8.961 3.584 9.658 1.00 70.44 C ATOM 1193 CE LYS A 80 -8.992 3.573 11.179 1.00 11.21 C ATOM 1194 NZ LYS A 80 -9.826 2.459 11.708 1.00 23.12 N ATOM 0 H LYS A 80 -8.073 3.956 6.638 1.00 72.25 H new ATOM 0 HA LYS A 80 -5.333 3.851 7.650 1.00 34.12 H new ATOM 0 HB2 LYS A 80 -6.056 1.935 9.184 1.00 22.33 H new ATOM 0 HB3 LYS A 80 -6.426 3.559 9.729 1.00 22.33 H new ATOM 0 HG2 LYS A 80 -8.526 2.134 8.137 1.00 4.34 H new ATOM 0 HG3 LYS A 80 -8.229 1.569 9.770 1.00 4.34 H new ATOM 0 HD2 LYS A 80 -8.546 4.529 9.308 1.00 70.44 H new ATOM 0 HD3 LYS A 80 -9.978 3.520 9.272 1.00 70.44 H new ATOM 0 HE2 LYS A 80 -7.976 3.480 11.562 1.00 11.21 H new ATOM 0 HE3 LYS A 80 -9.383 4.524 11.541 1.00 11.21 H new ATOM 0 HZ1 LYS A 80 -10.089 2.660 12.694 1.00 23.12 H new ATOM 0 HZ2 LYS A 80 -10.687 2.366 11.132 1.00 23.12 H new ATOM 0 HZ3 LYS A 80 -9.285 1.571 11.668 1.00 23.12 H new ATOM 1204 N ILE A 81 -4.983 1.772 6.319 1.00 31.12 N ATOM 1205 CA ILE A 81 -4.756 0.681 5.379 1.00 52.44 C ATOM 1206 C ILE A 81 -4.437 -0.617 6.113 1.00 62.50 C ATOM 1207 O ILE A 81 -3.659 -0.629 7.068 1.00 30.21 O ATOM 1208 CB ILE A 81 -3.605 1.005 4.409 1.00 32.23 C ATOM 1209 CG1 ILE A 81 -3.931 2.262 3.599 1.00 13.24 C ATOM 1210 CG2 ILE A 81 -3.344 -0.175 3.483 1.00 13.51 C ATOM 1211 CD1 ILE A 81 -3.390 3.534 4.214 1.00 70.44 C ATOM 0 H ILE A 81 -4.134 2.153 6.737 1.00 31.12 H new ATOM 0 HA ILE A 81 -5.677 0.557 4.809 1.00 52.44 H new ATOM 0 HB ILE A 81 -2.702 1.193 4.990 1.00 32.23 H new ATOM 0 HG12 ILE A 81 -3.524 2.152 2.594 1.00 13.24 H new ATOM 0 HG13 ILE A 81 -5.013 2.349 3.497 1.00 13.24 H new ATOM 0 HG21 ILE A 81 -2.528 0.069 2.803 1.00 13.51 H new ATOM 0 HG22 ILE A 81 -3.074 -1.049 4.075 1.00 13.51 H new ATOM 0 HG23 ILE A 81 -4.244 -0.391 2.907 1.00 13.51 H new ATOM 0 HD11 ILE A 81 -3.659 4.384 3.587 1.00 70.44 H new ATOM 0 HD12 ILE A 81 -3.816 3.667 5.208 1.00 70.44 H new ATOM 0 HD13 ILE A 81 -2.305 3.468 4.291 1.00 70.44 H new ATOM 1222 N ASP A 82 -5.040 -1.710 5.659 1.00 21.24 N ATOM 1223 CA ASP A 82 -4.818 -3.016 6.269 1.00 0.31 C ATOM 1224 C ASP A 82 -4.233 -3.997 5.258 1.00 0.41 C ATOM 1225 O ASP A 82 -4.632 -4.014 4.092 1.00 4.35 O ATOM 1226 CB ASP A 82 -6.129 -3.568 6.835 1.00 32.43 C ATOM 1227 CG ASP A 82 -6.680 -2.713 7.959 1.00 64.14 C ATOM 1228 OD1 ASP A 82 -5.984 -1.764 8.379 1.00 23.12 O ATOM 1229 OD2 ASP A 82 -7.807 -2.993 8.418 1.00 53.14 O ATOM 0 H ASP A 82 -5.687 -1.718 4.870 1.00 21.24 H new ATOM 0 HA ASP A 82 -4.103 -2.892 7.083 1.00 0.31 H new ATOM 0 HB2 ASP A 82 -6.868 -3.633 6.036 1.00 32.43 H new ATOM 0 HB3 ASP A 82 -5.965 -4.582 7.200 1.00 32.43 H new ATOM 1233 N LEU A 83 -3.286 -4.809 5.710 1.00 43.45 N ATOM 1234 CA LEU A 83 -2.644 -5.793 4.844 1.00 1.53 C ATOM 1235 C LEU A 83 -2.771 -7.196 5.428 1.00 64.24 C ATOM 1236 O LEU A 83 -2.226 -7.489 6.493 1.00 22.35 O ATOM 1237 CB LEU A 83 -1.169 -5.442 4.646 1.00 41.33 C ATOM 1238 CG LEU A 83 -0.552 -5.860 3.311 1.00 41.20 C ATOM 1239 CD1 LEU A 83 -0.839 -7.326 3.027 1.00 61.24 C ATOM 1240 CD2 LEU A 83 -1.078 -4.984 2.184 1.00 63.41 C ATOM 0 H LEU A 83 -2.945 -4.807 6.671 1.00 43.45 H new ATOM 0 HA LEU A 83 -3.148 -5.774 3.878 1.00 1.53 H new ATOM 0 HB2 LEU A 83 -1.055 -4.363 4.754 1.00 41.33 H new ATOM 0 HB3 LEU A 83 -0.595 -5.905 5.449 1.00 41.33 H new ATOM 0 HG LEU A 83 0.528 -5.728 3.374 1.00 41.20 H new ATOM 0 HD11 LEU A 83 -0.392 -7.606 2.073 1.00 61.24 H new ATOM 0 HD12 LEU A 83 -0.414 -7.940 3.821 1.00 61.24 H new ATOM 0 HD13 LEU A 83 -1.917 -7.484 2.983 1.00 61.24 H new ATOM 0 HD21 LEU A 83 -0.628 -5.295 1.241 1.00 63.41 H new ATOM 0 HD22 LEU A 83 -2.161 -5.085 2.120 1.00 63.41 H new ATOM 0 HD23 LEU A 83 -0.821 -3.943 2.382 1.00 63.41 H new ATOM 1251 N PHE A 84 -3.490 -8.063 4.721 1.00 14.13 N ATOM 1252 CA PHE A 84 -3.688 -9.437 5.168 1.00 74.25 C ATOM 1253 C PHE A 84 -3.038 -10.422 4.201 1.00 70.44 C ATOM 1254 O PHE A 84 -3.133 -10.287 2.981 1.00 32.11 O ATOM 1255 CB PHE A 84 -5.181 -9.743 5.301 1.00 62.51 C ATOM 1256 CG PHE A 84 -5.855 -8.976 6.401 1.00 54.31 C ATOM 1257 CD1 PHE A 84 -5.428 -9.101 7.713 1.00 41.30 C ATOM 1258 CD2 PHE A 84 -6.916 -8.129 6.124 1.00 34.40 C ATOM 1259 CE1 PHE A 84 -6.048 -8.396 8.728 1.00 32.25 C ATOM 1260 CE2 PHE A 84 -7.539 -7.421 7.134 1.00 32.32 C ATOM 1261 CZ PHE A 84 -7.104 -7.554 8.437 1.00 51.14 C ATOM 0 H PHE A 84 -3.945 -7.838 3.836 1.00 14.13 H new ATOM 0 HA PHE A 84 -3.215 -9.547 6.144 1.00 74.25 H new ATOM 0 HB2 PHE A 84 -5.675 -9.517 4.356 1.00 62.51 H new ATOM 0 HB3 PHE A 84 -5.310 -10.810 5.481 1.00 62.51 H new ATOM 0 HD1 PHE A 84 -4.602 -9.756 7.946 1.00 41.30 H new ATOM 0 HD2 PHE A 84 -7.260 -8.021 5.106 1.00 34.40 H new ATOM 0 HE1 PHE A 84 -5.707 -8.503 9.747 1.00 32.25 H new ATOM 0 HE2 PHE A 84 -8.365 -6.765 6.904 1.00 32.32 H new ATOM 0 HZ PHE A 84 -7.588 -7.001 9.228 1.00 51.14 H new ATOM 1270 N PRO A 85 -2.360 -11.437 4.756 1.00 50.41 N ATOM 1271 CA PRO A 85 -1.682 -12.465 3.962 1.00 61.45 C ATOM 1272 C PRO A 85 -2.663 -13.384 3.244 1.00 63.34 C ATOM 1273 O PRO A 85 -3.849 -13.443 3.569 1.00 35.12 O ATOM 1274 CB PRO A 85 -0.880 -13.248 5.006 1.00 23.44 C ATOM 1275 CG PRO A 85 -1.619 -13.043 6.282 1.00 53.12 C ATOM 1276 CD PRO A 85 -2.205 -11.660 6.204 1.00 1.13 C ATOM 0 HA PRO A 85 -1.070 -12.031 3.171 1.00 61.45 H new ATOM 0 HB2 PRO A 85 -0.821 -14.305 4.748 1.00 23.44 H new ATOM 0 HB3 PRO A 85 0.143 -12.879 5.077 1.00 23.44 H new ATOM 0 HG2 PRO A 85 -2.401 -13.792 6.404 1.00 53.12 H new ATOM 0 HG3 PRO A 85 -0.952 -13.136 7.139 1.00 53.12 H new ATOM 0 HD2 PRO A 85 -3.161 -11.598 6.725 1.00 1.13 H new ATOM 0 HD3 PRO A 85 -1.547 -10.918 6.657 1.00 1.13 H new ATOM 1281 N PRO A 86 -2.160 -14.121 2.242 1.00 43.12 N ATOM 1282 CA PRO A 86 -2.976 -15.053 1.457 1.00 52.43 C ATOM 1283 C PRO A 86 -3.407 -16.271 2.267 1.00 55.30 C ATOM 1284 O PRO A 86 -2.707 -16.697 3.186 1.00 13.54 O ATOM 1285 CB PRO A 86 -2.041 -15.471 0.320 1.00 4.05 C ATOM 1286 CG PRO A 86 -0.669 -15.280 0.867 1.00 2.40 C ATOM 1287 CD PRO A 86 -0.755 -14.103 1.800 1.00 24.53 C ATOM 0 HA PRO A 86 -3.905 -14.595 1.117 1.00 52.43 H new ATOM 0 HB2 PRO A 86 -2.210 -16.508 0.029 1.00 4.05 H new ATOM 0 HB3 PRO A 86 -2.201 -14.861 -0.569 1.00 4.05 H new ATOM 0 HG2 PRO A 86 -0.332 -16.172 1.394 1.00 2.40 H new ATOM 0 HG3 PRO A 86 0.047 -15.092 0.067 1.00 2.40 H new ATOM 0 HD2 PRO A 86 -0.068 -14.205 2.640 1.00 24.53 H new ATOM 0 HD3 PRO A 86 -0.504 -13.170 1.295 1.00 24.53 H new ATOM 1292 N VAL A 87 -4.563 -16.826 1.922 1.00 25.53 N ATOM 1293 CA VAL A 87 -5.087 -17.997 2.616 1.00 0.14 C ATOM 1294 C VAL A 87 -4.041 -19.103 2.696 1.00 33.11 C ATOM 1295 O VAL A 87 -4.018 -19.882 3.648 1.00 1.12 O ATOM 1296 CB VAL A 87 -6.347 -18.546 1.919 1.00 45.33 C ATOM 1297 CG1 VAL A 87 -7.516 -17.591 2.099 1.00 71.10 C ATOM 1298 CG2 VAL A 87 -6.072 -18.795 0.444 1.00 43.10 C ATOM 0 H VAL A 87 -5.156 -16.484 1.166 1.00 25.53 H new ATOM 0 HA VAL A 87 -5.349 -17.676 3.624 1.00 0.14 H new ATOM 0 HB VAL A 87 -6.613 -19.497 2.381 1.00 45.33 H new ATOM 0 HG11 VAL A 87 -8.397 -17.996 1.600 1.00 71.10 H new ATOM 0 HG12 VAL A 87 -7.725 -17.468 3.162 1.00 71.10 H new ATOM 0 HG13 VAL A 87 -7.265 -16.623 1.665 1.00 71.10 H new ATOM 0 HG21 VAL A 87 -6.972 -19.183 -0.034 1.00 43.10 H new ATOM 0 HG22 VAL A 87 -5.781 -17.860 -0.035 1.00 43.10 H new ATOM 0 HG23 VAL A 87 -5.266 -19.521 0.342 1.00 43.10 H new ATOM 1308 N ALA A 88 -3.175 -19.164 1.690 1.00 61.52 N ATOM 1309 CA ALA A 88 -2.124 -20.173 1.648 1.00 64.34 C ATOM 1310 C ALA A 88 -0.911 -19.736 2.462 1.00 73.23 C ATOM 1311 O ALA A 88 -0.506 -20.416 3.404 1.00 64.22 O ATOM 1312 CB ALA A 88 -1.721 -20.456 0.208 1.00 2.14 C ATOM 0 H ALA A 88 -3.181 -18.527 0.894 1.00 61.52 H new ATOM 0 HA ALA A 88 -2.516 -21.089 2.091 1.00 64.34 H new ATOM 0 HB1 ALA A 88 -0.935 -21.211 0.192 1.00 2.14 H new ATOM 0 HB2 ALA A 88 -2.586 -20.820 -0.347 1.00 2.14 H new ATOM 0 HB3 ALA A 88 -1.353 -19.540 -0.254 1.00 2.14 H new ATOM 1318 N GLY A 89 -0.334 -18.597 2.092 1.00 71.10 N ATOM 1319 CA GLY A 89 0.827 -18.089 2.798 1.00 70.21 C ATOM 1320 C GLY A 89 2.027 -17.911 1.888 1.00 52.02 C ATOM 1321 O GLY A 89 1.967 -18.229 0.702 1.00 64.41 O ATOM 0 H GLY A 89 -0.650 -18.017 1.315 1.00 71.10 H new ATOM 0 HA2 GLY A 89 0.579 -17.133 3.258 1.00 70.21 H new ATOM 0 HA3 GLY A 89 1.086 -18.774 3.606 1.00 70.21 H new ATOM 1325 N GLY A 90 3.120 -17.397 2.445 1.00 45.12 N ATOM 1326 CA GLY A 90 4.322 -17.184 1.662 1.00 24.54 C ATOM 1327 C GLY A 90 5.244 -18.387 1.674 1.00 41.41 C ATOM 1328 O GLY A 90 5.042 -19.341 0.923 1.00 72.31 O ATOM 0 H GLY A 90 3.194 -17.124 3.425 1.00 45.12 H new ATOM 0 HA2 GLY A 90 4.045 -16.953 0.633 1.00 24.54 H new ATOM 0 HA3 GLY A 90 4.856 -16.317 2.051 1.00 24.54 H new TER 1332 GLY A 90