USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 509 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 77 ASN : amide:sc= -0.49 X(o=-1.2,f=-0.88) USER MOD Set 1.2: A 80 SER OG : rot -40:sc= -0.753 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.0716 X(o=0.23,f=0.41) USER MOD Set 2.2: A 38 SER OG : rot -51:sc= 0.303! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.023) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 13:sc= 1.03 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -90:sc= 0.16 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.817 USER MOD Single : A 66 TYR OH : rot -60:sc= 0.26! USER MOD Single : A 67 SER OG : rot -66:sc= 0.235 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -40:sc= 1.19 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0354 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -4.49! K(o=-4.5!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 -6.220 1.748 -8.183 1.00 21.02 N ATOM 53 CA GLU A 5 -7.641 1.538 -7.930 1.00 64.32 C ATOM 54 C GLU A 5 -8.452 1.708 -9.211 1.00 61.34 C ATOM 55 O GLU A 5 -8.722 2.828 -9.644 1.00 51.05 O ATOM 56 CB GLU A 5 -8.141 2.513 -6.863 1.00 54.31 C ATOM 57 CG GLU A 5 -7.454 2.349 -5.518 1.00 12.31 C ATOM 58 CD GLU A 5 -8.002 1.181 -4.722 1.00 23.33 C ATOM 59 OE1 GLU A 5 -8.033 0.057 -5.265 1.00 32.51 O ATOM 60 OE2 GLU A 5 -8.399 1.390 -3.557 1.00 23.05 O ATOM 0 HA GLU A 5 -7.773 0.518 -7.570 1.00 64.32 H new ATOM 0 HB2 GLU A 5 -7.991 3.533 -7.216 1.00 54.31 H new ATOM 0 HB3 GLU A 5 -9.214 2.376 -6.732 1.00 54.31 H new ATOM 0 HG2 GLU A 5 -6.385 2.207 -5.675 1.00 12.31 H new ATOM 0 HG3 GLU A 5 -7.572 3.265 -4.940 1.00 12.31 H new ATOM 67 N VAL A 6 -8.837 0.587 -9.814 1.00 14.21 N ATOM 68 CA VAL A 6 -9.618 0.611 -11.045 1.00 71.20 C ATOM 69 C VAL A 6 -11.076 0.255 -10.778 1.00 13.21 C ATOM 70 O VAL A 6 -11.418 -0.915 -10.604 1.00 55.13 O ATOM 71 CB VAL A 6 -9.046 -0.365 -12.091 1.00 14.21 C ATOM 72 CG1 VAL A 6 -10.093 -0.691 -13.145 1.00 72.21 C ATOM 73 CG2 VAL A 6 -7.795 0.215 -12.732 1.00 41.51 C ATOM 0 H VAL A 6 -8.621 -0.349 -9.470 1.00 14.21 H new ATOM 0 HA VAL A 6 -9.561 1.627 -11.436 1.00 71.20 H new ATOM 0 HB VAL A 6 -8.772 -1.292 -11.587 1.00 14.21 H new ATOM 0 HG11 VAL A 6 -9.671 -1.382 -13.875 1.00 72.21 H new ATOM 0 HG12 VAL A 6 -10.958 -1.151 -12.668 1.00 72.21 H new ATOM 0 HG13 VAL A 6 -10.401 0.226 -13.648 1.00 72.21 H new ATOM 0 HG21 VAL A 6 -7.404 -0.487 -13.468 1.00 41.51 H new ATOM 0 HG22 VAL A 6 -8.041 1.156 -13.223 1.00 41.51 H new ATOM 0 HG23 VAL A 6 -7.042 0.393 -11.964 1.00 41.51 H new ATOM 83 N ILE A 7 -11.931 1.272 -10.747 1.00 33.20 N ATOM 84 CA ILE A 7 -13.353 1.066 -10.503 1.00 35.04 C ATOM 85 C ILE A 7 -14.178 1.403 -11.740 1.00 52.12 C ATOM 86 O ILE A 7 -14.348 2.572 -12.087 1.00 45.02 O ATOM 87 CB ILE A 7 -13.851 1.918 -9.320 1.00 43.53 C ATOM 88 CG1 ILE A 7 -15.374 1.833 -9.207 1.00 52.51 C ATOM 89 CG2 ILE A 7 -13.406 3.364 -9.486 1.00 12.03 C ATOM 90 CD1 ILE A 7 -15.884 1.988 -7.791 1.00 74.34 C ATOM 0 H ILE A 7 -11.664 2.246 -10.888 1.00 33.20 H new ATOM 0 HA ILE A 7 -13.481 0.011 -10.260 1.00 35.04 H new ATOM 0 HB ILE A 7 -13.416 1.527 -8.400 1.00 43.53 H new ATOM 0 HG12 ILE A 7 -15.820 2.606 -9.832 1.00 52.51 H new ATOM 0 HG13 ILE A 7 -15.707 0.873 -9.601 1.00 52.51 H new ATOM 0 HG21 ILE A 7 -13.765 3.954 -8.643 1.00 12.03 H new ATOM 0 HG22 ILE A 7 -12.317 3.408 -9.522 1.00 12.03 H new ATOM 0 HG23 ILE A 7 -13.816 3.767 -10.412 1.00 12.03 H new ATOM 0 HD11 ILE A 7 -16.972 1.917 -7.786 1.00 74.34 H new ATOM 0 HD12 ILE A 7 -15.466 1.199 -7.165 1.00 74.34 H new ATOM 0 HD13 ILE A 7 -15.582 2.960 -7.400 1.00 74.34 H new ATOM 102 N VAL A 8 -14.691 0.371 -12.402 1.00 34.31 N ATOM 103 CA VAL A 8 -15.502 0.557 -13.600 1.00 23.14 C ATOM 104 C VAL A 8 -16.852 -0.137 -13.463 1.00 13.03 C ATOM 105 O VAL A 8 -17.016 -1.045 -12.648 1.00 25.42 O ATOM 106 CB VAL A 8 -14.785 0.018 -14.852 1.00 23.13 C ATOM 107 CG1 VAL A 8 -13.475 0.757 -15.077 1.00 4.32 C ATOM 108 CG2 VAL A 8 -14.547 -1.479 -14.726 1.00 24.32 C ATOM 0 H VAL A 8 -14.559 -0.603 -12.129 1.00 34.31 H new ATOM 0 HA VAL A 8 -15.658 1.630 -13.713 1.00 23.14 H new ATOM 0 HB VAL A 8 -15.425 0.190 -15.718 1.00 23.13 H new ATOM 0 HG11 VAL A 8 -12.983 0.362 -15.966 1.00 4.32 H new ATOM 0 HG12 VAL A 8 -13.676 1.819 -15.215 1.00 4.32 H new ATOM 0 HG13 VAL A 8 -12.826 0.619 -14.212 1.00 4.32 H new ATOM 0 HG21 VAL A 8 -14.040 -1.843 -15.619 1.00 24.32 H new ATOM 0 HG22 VAL A 8 -13.928 -1.677 -13.851 1.00 24.32 H new ATOM 0 HG23 VAL A 8 -15.503 -1.992 -14.617 1.00 24.32 H new ATOM 118 N TYR A 9 -17.818 0.297 -14.265 1.00 62.44 N ATOM 119 CA TYR A 9 -19.156 -0.282 -14.233 1.00 0.52 C ATOM 120 C TYR A 9 -19.544 -0.834 -15.601 1.00 12.20 C ATOM 121 O TYR A 9 -19.242 -0.234 -16.632 1.00 70.53 O ATOM 122 CB TYR A 9 -20.176 0.767 -13.785 1.00 73.53 C ATOM 123 CG TYR A 9 -20.102 1.093 -12.311 1.00 2.21 C ATOM 124 CD1 TYR A 9 -18.955 1.652 -11.760 1.00 40.55 C ATOM 125 CD2 TYR A 9 -21.177 0.842 -11.468 1.00 72.30 C ATOM 126 CE1 TYR A 9 -18.882 1.952 -10.414 1.00 1.02 C ATOM 127 CE2 TYR A 9 -21.114 1.139 -10.121 1.00 4.44 C ATOM 128 CZ TYR A 9 -19.964 1.694 -9.598 1.00 41.12 C ATOM 129 OH TYR A 9 -19.896 1.991 -8.256 1.00 71.32 O ATOM 0 H TYR A 9 -17.700 1.048 -14.945 1.00 62.44 H new ATOM 0 HA TYR A 9 -19.152 -1.105 -13.518 1.00 0.52 H new ATOM 0 HB2 TYR A 9 -20.021 1.681 -14.359 1.00 73.53 H new ATOM 0 HB3 TYR A 9 -21.179 0.410 -14.020 1.00 73.53 H new ATOM 0 HD1 TYR A 9 -18.106 1.855 -12.396 1.00 40.55 H new ATOM 0 HD2 TYR A 9 -22.078 0.407 -11.873 1.00 72.30 H new ATOM 0 HE1 TYR A 9 -17.983 2.386 -10.002 1.00 1.02 H new ATOM 0 HE2 TYR A 9 -21.960 0.938 -9.480 1.00 4.44 H new ATOM 0 HH TYR A 9 -20.742 1.749 -7.824 1.00 71.32 H new ATOM 139 N GLU A 10 -20.217 -1.981 -15.600 1.00 4.31 N ATOM 140 CA GLU A 10 -20.646 -2.615 -16.841 1.00 15.53 C ATOM 141 C GLU A 10 -22.084 -2.231 -17.178 1.00 53.41 C ATOM 142 O GLU A 10 -22.807 -2.991 -17.824 1.00 3.14 O ATOM 143 CB GLU A 10 -20.526 -4.136 -16.731 1.00 4.12 C ATOM 144 CG GLU A 10 -20.161 -4.814 -18.041 1.00 2.22 C ATOM 145 CD GLU A 10 -18.702 -4.625 -18.409 1.00 20.12 C ATOM 146 OE1 GLU A 10 -17.833 -5.135 -17.671 1.00 43.53 O ATOM 147 OE2 GLU A 10 -18.430 -3.968 -19.435 1.00 50.43 O ATOM 0 H GLU A 10 -20.476 -2.489 -14.755 1.00 4.31 H new ATOM 0 HA GLU A 10 -19.996 -2.264 -17.642 1.00 15.53 H new ATOM 0 HB2 GLU A 10 -19.771 -4.379 -15.983 1.00 4.12 H new ATOM 0 HB3 GLU A 10 -21.472 -4.542 -16.373 1.00 4.12 H new ATOM 0 HG2 GLU A 10 -20.378 -5.880 -17.967 1.00 2.22 H new ATOM 0 HG3 GLU A 10 -20.788 -4.416 -18.839 1.00 2.22 H new ATOM 154 N HIS A 11 -22.493 -1.046 -16.736 1.00 54.51 N ATOM 155 CA HIS A 11 -23.845 -0.560 -16.991 1.00 0.43 C ATOM 156 C HIS A 11 -24.024 0.856 -16.451 1.00 42.45 C ATOM 157 O HIS A 11 -23.067 1.485 -16.000 1.00 4.14 O ATOM 158 CB HIS A 11 -24.874 -1.494 -16.354 1.00 20.11 C ATOM 159 CG HIS A 11 -25.858 -2.057 -17.332 1.00 55.23 C ATOM 160 ND1 HIS A 11 -27.201 -2.200 -17.051 1.00 41.23 N ATOM 161 CD2 HIS A 11 -25.690 -2.512 -18.596 1.00 4.51 C ATOM 162 CE1 HIS A 11 -27.815 -2.720 -18.099 1.00 42.21 C ATOM 163 NE2 HIS A 11 -26.920 -2.918 -19.050 1.00 60.03 N ATOM 0 H HIS A 11 -21.908 -0.405 -16.200 1.00 54.51 H new ATOM 0 HA HIS A 11 -24.000 -0.542 -18.070 1.00 0.43 H new ATOM 0 HB2 HIS A 11 -24.352 -2.315 -15.863 1.00 20.11 H new ATOM 0 HB3 HIS A 11 -25.415 -0.951 -15.579 1.00 20.11 H new ATOM 0 HD2 HIS A 11 -24.761 -2.549 -19.145 1.00 4.51 H new ATOM 0 HE1 HIS A 11 -28.869 -2.945 -18.167 1.00 42.21 H new ATOM 0 HE2 HIS A 11 -27.112 -3.309 -19.972 1.00 60.03 H new ATOM 171 N VAL A 12 -25.256 1.353 -16.503 1.00 22.12 N ATOM 172 CA VAL A 12 -25.560 2.694 -16.019 1.00 52.44 C ATOM 173 C VAL A 12 -25.275 2.818 -14.527 1.00 15.42 C ATOM 174 O VAL A 12 -25.071 1.819 -13.839 1.00 14.44 O ATOM 175 CB VAL A 12 -27.032 3.065 -16.283 1.00 3.42 C ATOM 176 CG1 VAL A 12 -27.925 2.523 -15.178 1.00 12.44 C ATOM 177 CG2 VAL A 12 -27.185 4.573 -16.413 1.00 14.22 C ATOM 0 H VAL A 12 -26.059 0.847 -16.875 1.00 22.12 H new ATOM 0 HA VAL A 12 -24.916 3.382 -16.566 1.00 52.44 H new ATOM 0 HB VAL A 12 -27.342 2.609 -17.223 1.00 3.42 H new ATOM 0 HG11 VAL A 12 -28.961 2.795 -15.381 1.00 12.44 H new ATOM 0 HG12 VAL A 12 -27.836 1.437 -15.138 1.00 12.44 H new ATOM 0 HG13 VAL A 12 -27.619 2.948 -14.222 1.00 12.44 H new ATOM 0 HG21 VAL A 12 -28.231 4.818 -16.599 1.00 14.22 H new ATOM 0 HG22 VAL A 12 -26.859 5.053 -15.490 1.00 14.22 H new ATOM 0 HG23 VAL A 12 -26.575 4.930 -17.243 1.00 14.22 H new ATOM 187 N ASN A 13 -25.264 4.052 -14.033 1.00 11.13 N ATOM 188 CA ASN A 13 -25.004 4.307 -12.621 1.00 13.55 C ATOM 189 C ASN A 13 -26.282 4.170 -11.799 1.00 14.12 C ATOM 190 O ASN A 13 -26.523 4.943 -10.871 1.00 51.23 O ATOM 191 CB ASN A 13 -24.413 5.706 -12.434 1.00 43.21 C ATOM 192 CG ASN A 13 -23.629 5.835 -11.142 1.00 54.10 C ATOM 193 OD1 ASN A 13 -24.195 6.118 -10.086 1.00 31.53 O ATOM 194 ND2 ASN A 13 -22.320 5.628 -11.221 1.00 40.40 N ATOM 0 H ASN A 13 -25.432 4.890 -14.589 1.00 11.13 H new ATOM 0 HA ASN A 13 -24.286 3.566 -12.270 1.00 13.55 H new ATOM 0 HB2 ASN A 13 -23.761 5.937 -13.276 1.00 43.21 H new ATOM 0 HB3 ASN A 13 -25.218 6.441 -12.442 1.00 43.21 H new ATOM 0 HD21 ASN A 13 -21.741 5.701 -10.385 1.00 40.40 H new ATOM 0 HD22 ASN A 13 -21.894 5.396 -12.118 1.00 40.40 H new ATOM 201 N PHE A 14 -27.099 3.180 -12.145 1.00 44.34 N ATOM 202 CA PHE A 14 -28.353 2.941 -11.441 1.00 5.05 C ATOM 203 C PHE A 14 -28.741 1.467 -11.507 1.00 31.11 C ATOM 204 O PHE A 14 -29.912 1.116 -11.370 1.00 72.44 O ATOM 205 CB PHE A 14 -29.469 3.802 -12.036 1.00 21.34 C ATOM 206 CG PHE A 14 -29.101 5.252 -12.169 1.00 73.11 C ATOM 207 CD1 PHE A 14 -29.124 6.090 -11.066 1.00 50.32 C ATOM 208 CD2 PHE A 14 -28.733 5.777 -13.397 1.00 64.43 C ATOM 209 CE1 PHE A 14 -28.787 7.425 -11.187 1.00 10.24 C ATOM 210 CE2 PHE A 14 -28.394 7.111 -13.524 1.00 31.33 C ATOM 211 CZ PHE A 14 -28.420 7.936 -12.416 1.00 74.25 C ATOM 0 H PHE A 14 -26.914 2.530 -12.909 1.00 44.34 H new ATOM 0 HA PHE A 14 -28.212 3.215 -10.395 1.00 5.05 H new ATOM 0 HB2 PHE A 14 -29.734 3.411 -13.018 1.00 21.34 H new ATOM 0 HB3 PHE A 14 -30.356 3.717 -11.409 1.00 21.34 H new ATOM 0 HD1 PHE A 14 -29.408 5.696 -10.101 1.00 50.32 H new ATOM 0 HD2 PHE A 14 -28.711 5.136 -14.266 1.00 64.43 H new ATOM 0 HE1 PHE A 14 -28.811 8.069 -10.320 1.00 10.24 H new ATOM 0 HE2 PHE A 14 -28.109 7.508 -14.487 1.00 31.33 H new ATOM 0 HZ PHE A 14 -28.154 8.978 -12.511 1.00 74.25 H new ATOM 221 N GLY A 15 -27.748 0.608 -11.719 1.00 13.14 N ATOM 222 CA GLY A 15 -28.006 -0.818 -11.800 1.00 44.34 C ATOM 223 C GLY A 15 -26.931 -1.557 -12.573 1.00 32.43 C ATOM 224 O GLY A 15 -27.148 -1.971 -13.711 1.00 34.13 O ATOM 0 H GLY A 15 -26.770 0.874 -11.836 1.00 13.14 H new ATOM 0 HA2 GLY A 15 -28.074 -1.230 -10.793 1.00 44.34 H new ATOM 0 HA3 GLY A 15 -28.972 -0.983 -12.278 1.00 44.34 H new ATOM 228 N GLY A 16 -25.767 -1.723 -11.953 1.00 24.13 N ATOM 229 CA GLY A 16 -24.671 -2.416 -12.605 1.00 71.10 C ATOM 230 C GLY A 16 -23.632 -2.914 -11.620 1.00 44.34 C ATOM 231 O GLY A 16 -23.640 -2.531 -10.450 1.00 50.02 O ATOM 0 H GLY A 16 -25.563 -1.390 -11.011 1.00 24.13 H new ATOM 0 HA2 GLY A 16 -25.065 -3.260 -13.171 1.00 71.10 H new ATOM 0 HA3 GLY A 16 -24.196 -1.746 -13.321 1.00 71.10 H new ATOM 235 N LYS A 17 -22.734 -3.771 -12.093 1.00 65.24 N ATOM 236 CA LYS A 17 -21.682 -4.323 -11.247 1.00 73.32 C ATOM 237 C LYS A 17 -20.451 -3.423 -11.252 1.00 61.12 C ATOM 238 O LYS A 17 -19.950 -3.046 -12.312 1.00 30.34 O ATOM 239 CB LYS A 17 -21.302 -5.728 -11.722 1.00 12.24 C ATOM 240 CG LYS A 17 -19.805 -5.935 -11.872 1.00 50.40 C ATOM 241 CD LYS A 17 -19.479 -7.354 -12.306 1.00 50.35 C ATOM 242 CE LYS A 17 -20.143 -7.698 -13.631 1.00 13.41 C ATOM 243 NZ LYS A 17 -21.308 -8.607 -13.448 1.00 31.15 N ATOM 0 H LYS A 17 -22.713 -4.099 -13.059 1.00 65.24 H new ATOM 0 HA LYS A 17 -22.063 -4.381 -10.228 1.00 73.32 H new ATOM 0 HB2 LYS A 17 -21.692 -6.460 -11.015 1.00 12.24 H new ATOM 0 HB3 LYS A 17 -21.785 -5.922 -12.680 1.00 12.24 H new ATOM 0 HG2 LYS A 17 -19.411 -5.230 -12.604 1.00 50.40 H new ATOM 0 HG3 LYS A 17 -19.310 -5.721 -10.925 1.00 50.40 H new ATOM 0 HD2 LYS A 17 -18.399 -7.468 -12.399 1.00 50.35 H new ATOM 0 HD3 LYS A 17 -19.809 -8.055 -11.539 1.00 50.35 H new ATOM 0 HE2 LYS A 17 -20.471 -6.782 -14.122 1.00 13.41 H new ATOM 0 HE3 LYS A 17 -19.415 -8.170 -14.291 1.00 13.41 H new ATOM 0 HZ1 LYS A 17 -21.733 -8.818 -14.374 1.00 31.15 H new ATOM 0 HZ2 LYS A 17 -20.991 -9.492 -13.003 1.00 31.15 H new ATOM 0 HZ3 LYS A 17 -22.015 -8.147 -12.839 1.00 31.15 H new ATOM 257 N SER A 18 -19.967 -3.083 -10.062 1.00 31.13 N ATOM 258 CA SER A 18 -18.795 -2.225 -9.929 1.00 74.23 C ATOM 259 C SER A 18 -17.532 -3.058 -9.731 1.00 14.44 C ATOM 260 O SER A 18 -17.344 -3.682 -8.686 1.00 51.41 O ATOM 261 CB SER A 18 -18.974 -1.260 -8.756 1.00 23.12 C ATOM 262 OG SER A 18 -18.886 -1.942 -7.517 1.00 33.23 O ATOM 0 H SER A 18 -20.368 -3.389 -9.175 1.00 31.13 H new ATOM 0 HA SER A 18 -18.689 -1.650 -10.849 1.00 74.23 H new ATOM 0 HB2 SER A 18 -18.212 -0.482 -8.801 1.00 23.12 H new ATOM 0 HB3 SER A 18 -19.941 -0.764 -8.834 1.00 23.12 H new ATOM 0 HG SER A 18 -18.528 -2.842 -7.664 1.00 33.23 H new ATOM 268 N PHE A 19 -16.669 -3.062 -10.741 1.00 52.00 N ATOM 269 CA PHE A 19 -15.424 -3.818 -10.679 1.00 43.03 C ATOM 270 C PHE A 19 -14.301 -2.970 -10.088 1.00 54.23 C ATOM 271 O PHE A 19 -13.681 -2.168 -10.787 1.00 0.03 O ATOM 272 CB PHE A 19 -15.029 -4.306 -12.075 1.00 2.22 C ATOM 273 CG PHE A 19 -14.734 -5.777 -12.134 1.00 71.42 C ATOM 274 CD1 PHE A 19 -15.650 -6.701 -11.656 1.00 0.41 C ATOM 275 CD2 PHE A 19 -13.542 -6.238 -12.669 1.00 5.53 C ATOM 276 CE1 PHE A 19 -15.381 -8.055 -11.709 1.00 22.23 C ATOM 277 CE2 PHE A 19 -13.267 -7.591 -12.725 1.00 20.14 C ATOM 278 CZ PHE A 19 -14.188 -8.501 -12.245 1.00 34.12 C ATOM 0 H PHE A 19 -16.809 -2.550 -11.612 1.00 52.00 H new ATOM 0 HA PHE A 19 -15.584 -4.680 -10.031 1.00 43.03 H new ATOM 0 HB2 PHE A 19 -15.834 -4.077 -12.773 1.00 2.22 H new ATOM 0 HB3 PHE A 19 -14.151 -3.754 -12.409 1.00 2.22 H new ATOM 0 HD1 PHE A 19 -16.585 -6.358 -11.237 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -12.819 -5.531 -13.047 1.00 5.53 H new ATOM 0 HE1 PHE A 19 -16.103 -8.764 -11.332 1.00 22.23 H new ATOM 0 HE2 PHE A 19 -12.333 -7.936 -13.144 1.00 20.14 H new ATOM 0 HZ PHE A 19 -13.976 -9.559 -12.288 1.00 34.12 H new ATOM 461 N ASP A 34 -24.272 -3.140 -25.885 1.00 20.22 N ATOM 462 CA ASP A 34 -23.433 -2.047 -25.408 1.00 14.34 C ATOM 463 C ASP A 34 -24.287 -0.892 -24.892 1.00 71.15 C ATOM 464 O ASP A 34 -24.409 0.144 -25.546 1.00 52.11 O ATOM 465 CB ASP A 34 -22.512 -1.557 -26.526 1.00 11.31 C ATOM 466 CG ASP A 34 -21.158 -2.239 -26.501 1.00 53.32 C ATOM 467 OD1 ASP A 34 -20.745 -2.699 -25.416 1.00 1.51 O ATOM 468 OD2 ASP A 34 -20.513 -2.313 -27.567 1.00 64.32 O ATOM 0 HA ASP A 34 -22.824 -2.421 -24.585 1.00 14.34 H new ATOM 0 HB2 ASP A 34 -22.988 -1.736 -27.490 1.00 11.31 H new ATOM 0 HB3 ASP A 34 -22.375 -0.480 -26.434 1.00 11.31 H new ATOM 473 N LYS A 35 -24.877 -1.078 -23.717 1.00 34.33 N ATOM 474 CA LYS A 35 -25.720 -0.053 -23.112 1.00 71.33 C ATOM 475 C LYS A 35 -24.879 0.951 -22.330 1.00 73.32 C ATOM 476 O LYS A 35 -23.667 0.783 -22.190 1.00 54.51 O ATOM 477 CB LYS A 35 -26.757 -0.696 -22.188 1.00 41.02 C ATOM 478 CG LYS A 35 -28.113 -0.897 -22.842 1.00 61.22 C ATOM 479 CD LYS A 35 -28.001 -1.715 -24.118 1.00 22.01 C ATOM 480 CE LYS A 35 -28.114 -0.837 -25.355 1.00 2.24 C ATOM 481 NZ LYS A 35 -29.493 -0.844 -25.916 1.00 70.00 N ATOM 0 H LYS A 35 -24.787 -1.930 -23.163 1.00 34.33 H new ATOM 0 HA LYS A 35 -26.236 0.477 -23.913 1.00 71.33 H new ATOM 0 HB2 LYS A 35 -26.380 -1.661 -21.849 1.00 41.02 H new ATOM 0 HB3 LYS A 35 -26.879 -0.072 -21.303 1.00 41.02 H new ATOM 0 HG2 LYS A 35 -28.783 -1.399 -22.145 1.00 61.22 H new ATOM 0 HG3 LYS A 35 -28.556 0.073 -23.068 1.00 61.22 H new ATOM 0 HD2 LYS A 35 -27.047 -2.242 -24.131 1.00 22.01 H new ATOM 0 HD3 LYS A 35 -28.784 -2.473 -24.136 1.00 22.01 H new ATOM 0 HE2 LYS A 35 -27.830 0.185 -25.102 1.00 2.24 H new ATOM 0 HE3 LYS A 35 -27.412 -1.185 -26.113 1.00 2.24 H new ATOM 0 HZ1 LYS A 35 -29.529 -0.234 -26.758 1.00 70.00 H new ATOM 0 HZ2 LYS A 35 -29.755 -1.815 -26.181 1.00 70.00 H new ATOM 0 HZ3 LYS A 35 -30.160 -0.488 -25.202 1.00 70.00 H new ATOM 495 N ILE A 36 -25.530 1.992 -21.822 1.00 31.30 N ATOM 496 CA ILE A 36 -24.842 3.020 -21.052 1.00 10.31 C ATOM 497 C ILE A 36 -23.987 2.403 -19.950 1.00 75.21 C ATOM 498 O ILE A 36 -24.452 1.548 -19.195 1.00 41.45 O ATOM 499 CB ILE A 36 -25.838 4.011 -20.420 1.00 24.34 C ATOM 500 CG1 ILE A 36 -25.111 4.954 -19.459 1.00 13.23 C ATOM 501 CG2 ILE A 36 -26.945 3.259 -19.697 1.00 13.24 C ATOM 502 CD1 ILE A 36 -25.760 6.316 -19.343 1.00 63.05 C ATOM 0 H ILE A 36 -26.533 2.145 -21.930 1.00 31.30 H new ATOM 0 HA ILE A 36 -24.199 3.558 -21.748 1.00 10.31 H new ATOM 0 HB ILE A 36 -26.289 4.608 -21.213 1.00 24.34 H new ATOM 0 HG12 ILE A 36 -25.071 4.494 -18.472 1.00 13.23 H new ATOM 0 HG13 ILE A 36 -24.081 5.078 -19.794 1.00 13.23 H new ATOM 0 HG21 ILE A 36 -27.641 3.972 -19.256 1.00 13.24 H new ATOM 0 HG22 ILE A 36 -27.477 2.624 -20.406 1.00 13.24 H new ATOM 0 HG23 ILE A 36 -26.512 2.641 -18.911 1.00 13.24 H new ATOM 0 HD11 ILE A 36 -25.192 6.932 -18.646 1.00 63.05 H new ATOM 0 HD12 ILE A 36 -25.775 6.796 -20.321 1.00 63.05 H new ATOM 0 HD13 ILE A 36 -26.781 6.203 -18.978 1.00 63.05 H new ATOM 514 N SER A 37 -22.736 2.843 -19.863 1.00 32.44 N ATOM 515 CA SER A 37 -21.815 2.332 -18.854 1.00 33.10 C ATOM 516 C SER A 37 -21.164 3.477 -18.084 1.00 23.51 C ATOM 517 O SER A 37 -21.135 4.616 -18.550 1.00 33.45 O ATOM 518 CB SER A 37 -20.738 1.465 -19.509 1.00 34.53 C ATOM 519 OG SER A 37 -20.956 0.091 -19.238 1.00 71.43 O ATOM 0 H SER A 37 -22.337 3.552 -20.478 1.00 32.44 H new ATOM 0 HA SER A 37 -22.384 1.723 -18.152 1.00 33.10 H new ATOM 0 HB2 SER A 37 -20.738 1.631 -20.586 1.00 34.53 H new ATOM 0 HB3 SER A 37 -19.755 1.760 -19.141 1.00 34.53 H new ATOM 0 HG SER A 37 -20.493 -0.157 -18.411 1.00 71.43 H new ATOM 525 N SER A 38 -20.641 3.164 -16.902 1.00 50.43 N ATOM 526 CA SER A 38 -19.993 4.167 -16.065 1.00 23.55 C ATOM 527 C SER A 38 -18.518 3.832 -15.859 1.00 75.33 C ATOM 528 O SER A 38 -18.171 2.992 -15.029 1.00 35.34 O ATOM 529 CB SER A 38 -20.699 4.264 -14.711 1.00 5.03 C ATOM 530 OG SER A 38 -19.776 4.552 -13.674 1.00 51.33 O ATOM 0 H SER A 38 -20.653 2.225 -16.503 1.00 50.43 H new ATOM 0 HA SER A 38 -20.062 5.129 -16.573 1.00 23.55 H new ATOM 0 HB2 SER A 38 -21.462 5.042 -14.750 1.00 5.03 H new ATOM 0 HB3 SER A 38 -21.211 3.326 -14.496 1.00 5.03 H new ATOM 0 HG SER A 38 -19.026 3.922 -13.719 1.00 51.33 H new ATOM 536 N ILE A 39 -17.656 4.495 -16.622 1.00 71.23 N ATOM 537 CA ILE A 39 -16.219 4.269 -16.524 1.00 74.00 C ATOM 538 C ILE A 39 -15.529 5.423 -15.805 1.00 54.20 C ATOM 539 O ILE A 39 -15.412 6.524 -16.344 1.00 65.22 O ATOM 540 CB ILE A 39 -15.581 4.090 -17.914 1.00 53.12 C ATOM 541 CG1 ILE A 39 -15.768 2.652 -18.404 1.00 4.52 C ATOM 542 CG2 ILE A 39 -14.104 4.453 -17.870 1.00 15.12 C ATOM 543 CD1 ILE A 39 -17.217 2.253 -18.568 1.00 53.34 C ATOM 0 H ILE A 39 -17.927 5.193 -17.315 1.00 71.23 H new ATOM 0 HA ILE A 39 -16.082 3.353 -15.950 1.00 74.00 H new ATOM 0 HB ILE A 39 -16.079 4.760 -18.615 1.00 53.12 H new ATOM 0 HG12 ILE A 39 -15.257 2.533 -19.359 1.00 4.52 H new ATOM 0 HG13 ILE A 39 -15.290 1.972 -17.699 1.00 4.52 H new ATOM 0 HG21 ILE A 39 -13.667 4.321 -18.860 1.00 15.12 H new ATOM 0 HG22 ILE A 39 -13.994 5.492 -17.560 1.00 15.12 H new ATOM 0 HG23 ILE A 39 -13.591 3.806 -17.158 1.00 15.12 H new ATOM 0 HD11 ILE A 39 -17.273 1.222 -18.918 1.00 53.34 H new ATOM 0 HD12 ILE A 39 -17.729 2.339 -17.610 1.00 53.34 H new ATOM 0 HD13 ILE A 39 -17.695 2.909 -19.295 1.00 53.34 H new ATOM 555 N LYS A 40 -15.073 5.164 -14.584 1.00 42.34 N ATOM 556 CA LYS A 40 -14.391 6.180 -13.791 1.00 22.33 C ATOM 557 C LYS A 40 -13.134 5.609 -13.141 1.00 50.24 C ATOM 558 O LYS A 40 -13.205 4.941 -12.110 1.00 23.10 O ATOM 559 CB LYS A 40 -15.329 6.730 -12.714 1.00 50.12 C ATOM 560 CG LYS A 40 -14.698 7.810 -11.852 1.00 54.23 C ATOM 561 CD LYS A 40 -14.653 7.401 -10.390 1.00 34.23 C ATOM 562 CE LYS A 40 -14.136 8.529 -9.511 1.00 2.22 C ATOM 563 NZ LYS A 40 -14.799 8.543 -8.178 1.00 32.34 N ATOM 0 H LYS A 40 -15.163 4.259 -14.122 1.00 42.34 H new ATOM 0 HA LYS A 40 -14.098 6.991 -14.458 1.00 22.33 H new ATOM 0 HB2 LYS A 40 -16.221 7.134 -13.193 1.00 50.12 H new ATOM 0 HB3 LYS A 40 -15.654 5.910 -12.074 1.00 50.12 H new ATOM 0 HG2 LYS A 40 -13.687 8.014 -12.205 1.00 54.23 H new ATOM 0 HG3 LYS A 40 -15.264 8.736 -11.955 1.00 54.23 H new ATOM 0 HD2 LYS A 40 -15.651 7.111 -10.062 1.00 34.23 H new ATOM 0 HD3 LYS A 40 -14.013 6.526 -10.275 1.00 34.23 H new ATOM 0 HE2 LYS A 40 -13.059 8.422 -9.380 1.00 2.22 H new ATOM 0 HE3 LYS A 40 -14.303 9.484 -10.010 1.00 2.22 H new ATOM 0 HZ1 LYS A 40 -14.419 9.326 -7.609 1.00 32.34 H new ATOM 0 HZ2 LYS A 40 -15.824 8.670 -8.301 1.00 32.34 H new ATOM 0 HZ3 LYS A 40 -14.618 7.642 -7.691 1.00 32.34 H new ATOM 577 N VAL A 41 -11.984 5.879 -13.751 1.00 61.41 N ATOM 578 CA VAL A 41 -10.711 5.394 -13.231 1.00 0.33 C ATOM 579 C VAL A 41 -9.578 6.359 -13.564 1.00 34.03 C ATOM 580 O VAL A 41 -9.605 7.033 -14.593 1.00 44.44 O ATOM 581 CB VAL A 41 -10.367 4.002 -13.794 1.00 14.52 C ATOM 582 CG1 VAL A 41 -9.078 3.480 -13.178 1.00 13.40 C ATOM 583 CG2 VAL A 41 -11.514 3.033 -13.552 1.00 72.43 C ATOM 0 H VAL A 41 -11.908 6.431 -14.605 1.00 61.41 H new ATOM 0 HA VAL A 41 -10.818 5.323 -12.149 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.217 4.091 -14.870 1.00 14.52 H new ATOM 0 HG11 VAL A 41 -8.851 2.496 -13.588 1.00 13.40 H new ATOM 0 HG12 VAL A 41 -8.262 4.165 -13.407 1.00 13.40 H new ATOM 0 HG13 VAL A 41 -9.196 3.404 -12.097 1.00 13.40 H new ATOM 0 HG21 VAL A 41 -11.255 2.054 -13.956 1.00 72.43 H new ATOM 0 HG22 VAL A 41 -11.698 2.947 -12.481 1.00 72.43 H new ATOM 0 HG23 VAL A 41 -12.413 3.403 -14.046 1.00 72.43 H new ATOM 593 N LYS A 42 -8.583 6.420 -12.686 1.00 20.33 N ATOM 594 CA LYS A 42 -7.438 7.300 -12.886 1.00 12.32 C ATOM 595 C LYS A 42 -6.129 6.545 -12.684 1.00 23.31 C ATOM 596 O LYS A 42 -5.604 6.479 -11.572 1.00 43.54 O ATOM 597 CB LYS A 42 -7.508 8.488 -11.923 1.00 62.20 C ATOM 598 CG LYS A 42 -8.872 9.154 -11.877 1.00 42.40 C ATOM 599 CD LYS A 42 -9.504 9.036 -10.500 1.00 73.15 C ATOM 600 CE LYS A 42 -9.802 7.587 -10.147 1.00 32.21 C ATOM 601 NZ LYS A 42 -10.203 7.435 -8.721 1.00 22.03 N ATOM 0 H LYS A 42 -8.546 5.870 -11.828 1.00 20.33 H new ATOM 0 HA LYS A 42 -7.469 7.668 -13.911 1.00 12.32 H new ATOM 0 HB2 LYS A 42 -7.245 8.149 -10.921 1.00 62.20 H new ATOM 0 HB3 LYS A 42 -6.762 9.227 -12.216 1.00 62.20 H new ATOM 0 HG2 LYS A 42 -8.773 10.206 -12.144 1.00 42.40 H new ATOM 0 HG3 LYS A 42 -9.526 8.697 -12.619 1.00 42.40 H new ATOM 0 HD2 LYS A 42 -8.835 9.463 -9.753 1.00 73.15 H new ATOM 0 HD3 LYS A 42 -10.426 9.616 -10.471 1.00 73.15 H new ATOM 0 HE2 LYS A 42 -10.599 7.213 -10.790 1.00 32.21 H new ATOM 0 HE3 LYS A 42 -8.921 6.977 -10.343 1.00 32.21 H new ATOM 0 HZ1 LYS A 42 -10.398 6.433 -8.520 1.00 22.03 H new ATOM 0 HZ2 LYS A 42 -9.433 7.768 -8.106 1.00 22.03 H new ATOM 0 HZ3 LYS A 42 -11.059 7.997 -8.539 1.00 22.03 H new ATOM 615 N SER A 43 -5.606 5.977 -13.766 1.00 24.53 N ATOM 616 CA SER A 43 -4.358 5.224 -13.706 1.00 73.44 C ATOM 617 C SER A 43 -3.810 4.970 -15.107 1.00 63.12 C ATOM 618 O SER A 43 -4.253 4.058 -15.804 1.00 23.22 O ATOM 619 CB SER A 43 -4.575 3.893 -12.983 1.00 1.25 C ATOM 620 OG SER A 43 -3.340 3.252 -12.714 1.00 11.04 O ATOM 0 H SER A 43 -6.026 6.024 -14.694 1.00 24.53 H new ATOM 0 HA SER A 43 -3.631 5.817 -13.151 1.00 73.44 H new ATOM 0 HB2 SER A 43 -5.110 4.066 -12.049 1.00 1.25 H new ATOM 0 HB3 SER A 43 -5.201 3.242 -13.593 1.00 1.25 H new ATOM 0 HG SER A 43 -3.505 2.405 -12.250 1.00 11.04 H new ATOM 626 N GLY A 44 -2.841 5.785 -15.513 1.00 51.35 N ATOM 627 CA GLY A 44 -2.247 5.634 -16.829 1.00 11.01 C ATOM 628 C GLY A 44 -3.281 5.648 -17.937 1.00 73.31 C ATOM 629 O GLY A 44 -4.266 6.384 -17.869 1.00 51.14 O ATOM 0 H GLY A 44 -2.457 6.547 -14.954 1.00 51.35 H new ATOM 0 HA2 GLY A 44 -1.530 6.438 -16.995 1.00 11.01 H new ATOM 0 HA3 GLY A 44 -1.690 4.698 -16.868 1.00 11.01 H new ATOM 633 N THR A 45 -3.058 4.832 -18.963 1.00 50.20 N ATOM 634 CA THR A 45 -3.976 4.755 -20.092 1.00 53.21 C ATOM 635 C THR A 45 -4.495 3.335 -20.283 1.00 33.31 C ATOM 636 O THR A 45 -3.814 2.365 -19.949 1.00 14.12 O ATOM 637 CB THR A 45 -3.304 5.223 -21.396 1.00 44.33 C ATOM 638 OG1 THR A 45 -2.172 4.396 -21.688 1.00 62.01 O ATOM 639 CG2 THR A 45 -2.862 6.675 -21.287 1.00 31.03 C ATOM 0 H THR A 45 -2.249 4.215 -19.035 1.00 50.20 H new ATOM 0 HA THR A 45 -4.812 5.417 -19.865 1.00 53.21 H new ATOM 0 HB THR A 45 -4.032 5.141 -22.203 1.00 44.33 H new ATOM 0 HG1 THR A 45 -1.751 4.699 -22.520 1.00 62.01 H new ATOM 0 HG21 THR A 45 -2.390 6.983 -22.220 1.00 31.03 H new ATOM 0 HG22 THR A 45 -3.730 7.306 -21.094 1.00 31.03 H new ATOM 0 HG23 THR A 45 -2.149 6.778 -20.469 1.00 31.03 H new ATOM 647 N TRP A 46 -5.703 3.219 -20.822 1.00 34.10 N ATOM 648 CA TRP A 46 -6.313 1.915 -21.058 1.00 12.12 C ATOM 649 C TRP A 46 -6.835 1.809 -22.486 1.00 71.44 C ATOM 650 O TRP A 46 -7.055 2.820 -23.154 1.00 21.35 O ATOM 651 CB TRP A 46 -7.453 1.675 -20.066 1.00 42.31 C ATOM 652 CG TRP A 46 -7.383 2.557 -18.856 1.00 65.20 C ATOM 653 CD1 TRP A 46 -6.365 2.623 -17.948 1.00 25.40 C ATOM 654 CD2 TRP A 46 -8.372 3.496 -18.422 1.00 4.43 C ATOM 655 NE1 TRP A 46 -6.661 3.547 -16.975 1.00 73.42 N ATOM 656 CE2 TRP A 46 -7.887 4.097 -17.243 1.00 45.25 C ATOM 657 CE3 TRP A 46 -9.619 3.890 -18.914 1.00 44.43 C ATOM 658 CZ2 TRP A 46 -8.606 5.068 -16.553 1.00 15.14 C ATOM 659 CZ3 TRP A 46 -10.332 4.854 -18.227 1.00 70.12 C ATOM 660 CH2 TRP A 46 -9.824 5.435 -17.057 1.00 75.43 C ATOM 0 H TRP A 46 -6.280 4.012 -21.104 1.00 34.10 H new ATOM 0 HA TRP A 46 -5.548 1.152 -20.913 1.00 12.12 H new ATOM 0 HB2 TRP A 46 -8.405 1.838 -20.571 1.00 42.31 H new ATOM 0 HB3 TRP A 46 -7.435 0.632 -19.748 1.00 42.31 H new ATOM 0 HD1 TRP A 46 -5.460 2.035 -17.989 1.00 25.40 H new ATOM 0 HE1 TRP A 46 -6.065 3.785 -16.182 1.00 73.42 H new ATOM 0 HE3 TRP A 46 -10.019 3.449 -19.815 1.00 44.43 H new ATOM 0 HZ2 TRP A 46 -8.216 5.516 -15.651 1.00 15.14 H new ATOM 0 HZ3 TRP A 46 -11.297 5.165 -18.598 1.00 70.12 H new ATOM 0 HH2 TRP A 46 -10.405 6.187 -16.543 1.00 75.43 H new ATOM 671 N ARG A 47 -7.032 0.579 -22.950 1.00 23.31 N ATOM 672 CA ARG A 47 -7.527 0.341 -24.300 1.00 52.34 C ATOM 673 C ARG A 47 -8.884 -0.355 -24.267 1.00 33.31 C ATOM 674 O ARG A 47 -8.974 -1.550 -23.983 1.00 1.12 O ATOM 675 CB ARG A 47 -6.528 -0.504 -25.092 1.00 45.20 C ATOM 676 CG ARG A 47 -5.215 0.209 -25.372 1.00 42.14 C ATOM 677 CD ARG A 47 -4.081 -0.361 -24.534 1.00 13.42 C ATOM 678 NE ARG A 47 -2.779 -0.156 -25.163 1.00 31.33 N ATOM 679 CZ ARG A 47 -1.697 -0.865 -24.860 1.00 33.14 C ATOM 680 NH1 ARG A 47 -1.762 -1.820 -23.942 1.00 1.33 N ATOM 681 NH2 ARG A 47 -0.548 -0.620 -25.476 1.00 21.04 N ATOM 0 H ARG A 47 -6.856 -0.268 -22.410 1.00 23.31 H new ATOM 0 HA ARG A 47 -7.645 1.307 -24.791 1.00 52.34 H new ATOM 0 HB2 ARG A 47 -6.323 -1.421 -24.540 1.00 45.20 H new ATOM 0 HB3 ARG A 47 -6.982 -0.796 -26.039 1.00 45.20 H new ATOM 0 HG2 ARG A 47 -4.969 0.117 -26.430 1.00 42.14 H new ATOM 0 HG3 ARG A 47 -5.325 1.273 -25.161 1.00 42.14 H new ATOM 0 HD2 ARG A 47 -4.086 0.108 -23.550 1.00 13.42 H new ATOM 0 HD3 ARG A 47 -4.245 -1.427 -24.380 1.00 13.42 H new ATOM 0 HE ARG A 47 -2.696 0.571 -25.874 1.00 31.33 H new ATOM 0 HH11 ARG A 47 -2.644 -2.012 -23.467 1.00 1.33 H new ATOM 0 HH12 ARG A 47 -0.930 -2.363 -23.711 1.00 1.33 H new ATOM 0 HH21 ARG A 47 -0.495 0.113 -26.183 1.00 21.04 H new ATOM 0 HH22 ARG A 47 0.282 -1.165 -25.243 1.00 21.04 H new ATOM 695 N PHE A 48 -9.938 0.400 -24.558 1.00 75.55 N ATOM 696 CA PHE A 48 -11.291 -0.145 -24.560 1.00 54.43 C ATOM 697 C PHE A 48 -11.701 -0.580 -25.964 1.00 43.45 C ATOM 698 O PHE A 48 -11.493 0.147 -26.937 1.00 22.14 O ATOM 699 CB PHE A 48 -12.282 0.892 -24.027 1.00 3.55 C ATOM 700 CG PHE A 48 -12.557 0.757 -22.556 1.00 73.02 C ATOM 701 CD1 PHE A 48 -13.515 -0.133 -22.097 1.00 24.14 C ATOM 702 CD2 PHE A 48 -11.859 1.519 -21.634 1.00 3.12 C ATOM 703 CE1 PHE A 48 -13.771 -0.259 -20.744 1.00 65.13 C ATOM 704 CE2 PHE A 48 -12.110 1.397 -20.280 1.00 51.11 C ATOM 705 CZ PHE A 48 -13.067 0.506 -19.835 1.00 4.01 C ATOM 0 H PHE A 48 -9.882 1.390 -24.795 1.00 75.55 H new ATOM 0 HA PHE A 48 -11.304 -1.019 -23.909 1.00 54.43 H new ATOM 0 HB2 PHE A 48 -11.893 1.891 -24.226 1.00 3.55 H new ATOM 0 HB3 PHE A 48 -13.220 0.801 -24.574 1.00 3.55 H new ATOM 0 HD1 PHE A 48 -14.068 -0.735 -22.804 1.00 24.14 H new ATOM 0 HD2 PHE A 48 -11.110 2.217 -21.977 1.00 3.12 H new ATOM 0 HE1 PHE A 48 -14.521 -0.955 -20.398 1.00 65.13 H new ATOM 0 HE2 PHE A 48 -11.559 1.997 -19.571 1.00 51.11 H new ATOM 0 HZ PHE A 48 -13.264 0.408 -18.778 1.00 4.01 H new ATOM 715 N TYR A 49 -12.283 -1.769 -26.062 1.00 61.53 N ATOM 716 CA TYR A 49 -12.719 -2.304 -27.347 1.00 0.30 C ATOM 717 C TYR A 49 -13.759 -3.403 -27.155 1.00 72.10 C ATOM 718 O TYR A 49 -13.520 -4.382 -26.449 1.00 64.24 O ATOM 719 CB TYR A 49 -11.523 -2.849 -28.129 1.00 23.12 C ATOM 720 CG TYR A 49 -10.517 -3.577 -27.266 1.00 62.33 C ATOM 721 CD1 TYR A 49 -10.689 -4.918 -26.945 1.00 73.35 C ATOM 722 CD2 TYR A 49 -9.395 -2.925 -26.771 1.00 44.34 C ATOM 723 CE1 TYR A 49 -9.773 -5.588 -26.157 1.00 53.22 C ATOM 724 CE2 TYR A 49 -8.473 -3.586 -25.984 1.00 23.52 C ATOM 725 CZ TYR A 49 -8.667 -4.918 -25.679 1.00 45.33 C ATOM 726 OH TYR A 49 -7.751 -5.580 -24.894 1.00 32.22 O ATOM 0 H TYR A 49 -12.464 -2.382 -25.267 1.00 61.53 H new ATOM 0 HA TYR A 49 -13.175 -1.492 -27.913 1.00 0.30 H new ATOM 0 HB2 TYR A 49 -11.884 -3.527 -28.903 1.00 23.12 H new ATOM 0 HB3 TYR A 49 -11.024 -2.023 -28.636 1.00 23.12 H new ATOM 0 HD1 TYR A 49 -11.554 -5.446 -27.318 1.00 73.35 H new ATOM 0 HD2 TYR A 49 -9.241 -1.882 -27.006 1.00 44.34 H new ATOM 0 HE1 TYR A 49 -9.923 -6.630 -25.917 1.00 53.22 H new ATOM 0 HE2 TYR A 49 -7.605 -3.064 -25.609 1.00 23.52 H new ATOM 0 HH TYR A 49 -7.031 -4.965 -24.642 1.00 32.22 H new ATOM 736 N GLU A 50 -14.915 -3.232 -27.789 1.00 60.55 N ATOM 737 CA GLU A 50 -15.992 -4.210 -27.689 1.00 15.23 C ATOM 738 C GLU A 50 -15.905 -5.234 -28.816 1.00 60.33 C ATOM 739 O GLU A 50 -16.713 -5.222 -29.745 1.00 40.42 O ATOM 740 CB GLU A 50 -17.352 -3.509 -27.726 1.00 40.31 C ATOM 741 CG GLU A 50 -17.951 -3.268 -26.351 1.00 20.44 C ATOM 742 CD GLU A 50 -18.104 -1.794 -26.030 1.00 61.13 C ATOM 743 OE1 GLU A 50 -18.357 -1.006 -26.965 1.00 75.43 O ATOM 744 OE2 GLU A 50 -17.970 -1.429 -24.844 1.00 1.54 O ATOM 0 H GLU A 50 -15.129 -2.426 -28.377 1.00 60.55 H new ATOM 0 HA GLU A 50 -15.886 -4.733 -26.738 1.00 15.23 H new ATOM 0 HB2 GLU A 50 -17.245 -2.553 -28.239 1.00 40.31 H new ATOM 0 HB3 GLU A 50 -18.045 -4.110 -28.314 1.00 40.31 H new ATOM 0 HG2 GLU A 50 -18.926 -3.751 -26.294 1.00 20.44 H new ATOM 0 HG3 GLU A 50 -17.319 -3.736 -25.597 1.00 20.44 H new ATOM 751 N TYR A 51 -14.919 -6.120 -28.728 1.00 3.42 N ATOM 752 CA TYR A 51 -14.723 -7.149 -29.741 1.00 62.42 C ATOM 753 C TYR A 51 -13.515 -8.020 -29.407 1.00 35.11 C ATOM 754 O TYR A 51 -12.825 -7.789 -28.414 1.00 14.34 O ATOM 755 CB TYR A 51 -14.539 -6.510 -31.119 1.00 21.42 C ATOM 756 CG TYR A 51 -15.698 -6.754 -32.059 1.00 22.02 C ATOM 757 CD1 TYR A 51 -16.116 -8.045 -32.358 1.00 42.33 C ATOM 758 CD2 TYR A 51 -16.375 -5.693 -32.647 1.00 15.01 C ATOM 759 CE1 TYR A 51 -17.174 -8.272 -33.217 1.00 44.32 C ATOM 760 CE2 TYR A 51 -17.435 -5.911 -33.506 1.00 14.41 C ATOM 761 CZ TYR A 51 -17.830 -7.202 -33.788 1.00 53.43 C ATOM 762 OH TYR A 51 -18.885 -7.424 -34.643 1.00 54.43 O ATOM 0 H TYR A 51 -14.243 -6.146 -27.965 1.00 3.42 H new ATOM 0 HA TYR A 51 -15.611 -7.781 -29.756 1.00 62.42 H new ATOM 0 HB2 TYR A 51 -14.401 -5.436 -30.997 1.00 21.42 H new ATOM 0 HB3 TYR A 51 -13.627 -6.899 -31.572 1.00 21.42 H new ATOM 0 HD1 TYR A 51 -15.605 -8.885 -31.911 1.00 42.33 H new ATOM 0 HD2 TYR A 51 -16.068 -4.681 -32.429 1.00 15.01 H new ATOM 0 HE1 TYR A 51 -17.485 -9.282 -33.440 1.00 44.32 H new ATOM 0 HE2 TYR A 51 -17.951 -5.075 -33.954 1.00 14.41 H new ATOM 0 HH TYR A 51 -19.237 -6.565 -34.957 1.00 54.43 H new ATOM 772 N ILE A 52 -13.267 -9.022 -30.244 1.00 2.32 N ATOM 773 CA ILE A 52 -12.142 -9.926 -30.039 1.00 75.40 C ATOM 774 C ILE A 52 -10.819 -9.169 -30.046 1.00 10.11 C ATOM 775 O ILE A 52 -10.718 -8.081 -30.611 1.00 11.21 O ATOM 776 CB ILE A 52 -12.099 -11.023 -31.119 1.00 63.50 C ATOM 777 CG1 ILE A 52 -11.155 -12.151 -30.694 1.00 51.52 C ATOM 778 CG2 ILE A 52 -11.664 -10.436 -32.453 1.00 60.04 C ATOM 779 CD1 ILE A 52 -11.287 -13.399 -31.538 1.00 21.23 C ATOM 0 H ILE A 52 -13.829 -9.228 -31.070 1.00 2.32 H new ATOM 0 HA ILE A 52 -12.285 -10.392 -29.064 1.00 75.40 H new ATOM 0 HB ILE A 52 -13.101 -11.437 -31.236 1.00 63.50 H new ATOM 0 HG12 ILE A 52 -10.127 -11.793 -30.747 1.00 51.52 H new ATOM 0 HG13 ILE A 52 -11.351 -12.404 -29.652 1.00 51.52 H new ATOM 0 HG21 ILE A 52 -11.638 -11.224 -33.206 1.00 60.04 H new ATOM 0 HG22 ILE A 52 -12.371 -9.664 -32.759 1.00 60.04 H new ATOM 0 HG23 ILE A 52 -10.671 -9.999 -32.352 1.00 60.04 H new ATOM 0 HD11 ILE A 52 -10.589 -14.156 -31.180 1.00 21.23 H new ATOM 0 HD12 ILE A 52 -12.305 -13.781 -31.465 1.00 21.23 H new ATOM 0 HD13 ILE A 52 -11.062 -13.161 -32.578 1.00 21.23 H new ATOM 791 N ASN A 53 -9.806 -9.753 -29.415 1.00 63.40 N ATOM 792 CA ASN A 53 -8.487 -9.134 -29.349 1.00 61.14 C ATOM 793 C ASN A 53 -7.905 -8.944 -30.747 1.00 10.11 C ATOM 794 O ASN A 53 -6.972 -8.164 -30.941 1.00 71.44 O ATOM 795 CB ASN A 53 -7.541 -9.988 -28.503 1.00 30.22 C ATOM 796 CG ASN A 53 -7.570 -9.602 -27.036 1.00 61.55 C ATOM 797 OD1 ASN A 53 -8.467 -10.004 -26.295 1.00 62.10 O ATOM 798 ND2 ASN A 53 -6.585 -8.819 -26.612 1.00 15.05 N ATOM 0 H ASN A 53 -9.873 -10.654 -28.942 1.00 63.40 H new ATOM 0 HA ASN A 53 -8.596 -8.155 -28.883 1.00 61.14 H new ATOM 0 HB2 ASN A 53 -7.814 -11.038 -28.605 1.00 30.22 H new ATOM 0 HB3 ASN A 53 -6.525 -9.885 -28.883 1.00 30.22 H new ATOM 0 HD21 ASN A 53 -6.551 -8.526 -25.636 1.00 15.05 H new ATOM 0 HD22 ASN A 53 -5.863 -8.510 -27.263 1.00 15.05 H new ATOM 805 N TYR A 54 -8.463 -9.661 -31.716 1.00 44.22 N ATOM 806 CA TYR A 54 -7.998 -9.573 -33.096 1.00 14.24 C ATOM 807 C TYR A 54 -9.135 -9.163 -34.028 1.00 24.23 C ATOM 808 O TYR A 54 -9.782 -10.008 -34.645 1.00 31.15 O ATOM 809 CB TYR A 54 -7.413 -10.912 -33.545 1.00 62.42 C ATOM 810 CG TYR A 54 -6.931 -11.777 -32.402 1.00 41.20 C ATOM 811 CD1 TYR A 54 -7.803 -12.625 -31.731 1.00 73.12 C ATOM 812 CD2 TYR A 54 -5.604 -11.745 -31.992 1.00 42.41 C ATOM 813 CE1 TYR A 54 -7.368 -13.416 -30.686 1.00 21.24 C ATOM 814 CE2 TYR A 54 -5.159 -12.533 -30.949 1.00 32.23 C ATOM 815 CZ TYR A 54 -6.045 -13.367 -30.299 1.00 21.15 C ATOM 816 OH TYR A 54 -5.606 -14.153 -29.258 1.00 32.23 O ATOM 0 H TYR A 54 -9.237 -10.309 -31.572 1.00 44.22 H new ATOM 0 HA TYR A 54 -7.220 -8.811 -33.143 1.00 14.24 H new ATOM 0 HB2 TYR A 54 -8.169 -11.458 -34.109 1.00 62.42 H new ATOM 0 HB3 TYR A 54 -6.581 -10.726 -34.224 1.00 62.42 H new ATOM 0 HD1 TYR A 54 -8.839 -12.666 -32.032 1.00 73.12 H new ATOM 0 HD2 TYR A 54 -4.908 -11.092 -32.498 1.00 42.41 H new ATOM 0 HE1 TYR A 54 -8.060 -14.069 -30.175 1.00 21.24 H new ATOM 0 HE2 TYR A 54 -4.124 -12.497 -30.644 1.00 32.23 H new ATOM 0 HH TYR A 54 -4.649 -14.000 -29.114 1.00 32.23 H new ATOM 826 N GLY A 55 -9.370 -7.858 -34.125 1.00 74.21 N ATOM 827 CA GLY A 55 -10.428 -7.357 -34.984 1.00 23.52 C ATOM 828 C GLY A 55 -11.584 -6.772 -34.198 1.00 73.21 C ATOM 829 O GLY A 55 -12.607 -7.428 -34.004 1.00 52.35 O ATOM 0 H GLY A 55 -8.847 -7.139 -33.625 1.00 74.21 H new ATOM 0 HA2 GLY A 55 -10.022 -6.595 -35.649 1.00 23.52 H new ATOM 0 HA3 GLY A 55 -10.794 -8.167 -35.614 1.00 23.52 H new ATOM 833 N GLY A 56 -11.422 -5.534 -33.742 1.00 42.33 N ATOM 834 CA GLY A 56 -12.468 -4.882 -32.977 1.00 12.32 C ATOM 835 C GLY A 56 -12.312 -3.374 -32.948 1.00 73.23 C ATOM 836 O GLY A 56 -11.349 -2.833 -33.490 1.00 45.13 O ATOM 0 H GLY A 56 -10.584 -4.971 -33.889 1.00 42.33 H new ATOM 0 HA2 GLY A 56 -13.438 -5.136 -33.404 1.00 12.32 H new ATOM 0 HA3 GLY A 56 -12.460 -5.265 -31.956 1.00 12.32 H new ATOM 840 N ARG A 57 -13.263 -2.694 -32.316 1.00 73.32 N ATOM 841 CA ARG A 57 -13.229 -1.240 -32.222 1.00 44.11 C ATOM 842 C ARG A 57 -12.261 -0.789 -31.132 1.00 11.52 C ATOM 843 O ARG A 57 -12.571 -0.863 -29.943 1.00 32.34 O ATOM 844 CB ARG A 57 -14.628 -0.693 -31.935 1.00 50.54 C ATOM 845 CG ARG A 57 -14.643 0.785 -31.579 1.00 60.02 C ATOM 846 CD ARG A 57 -15.097 1.008 -30.145 1.00 60.31 C ATOM 847 NE ARG A 57 -16.393 0.390 -29.879 1.00 53.01 N ATOM 848 CZ ARG A 57 -17.553 0.938 -30.225 1.00 31.23 C ATOM 849 NH1 ARG A 57 -17.578 2.108 -30.847 1.00 41.21 N ATOM 850 NH2 ARG A 57 -18.691 0.314 -29.948 1.00 53.22 N ATOM 0 H ARG A 57 -14.067 -3.127 -31.861 1.00 73.32 H new ATOM 0 HA ARG A 57 -12.882 -0.847 -33.178 1.00 44.11 H new ATOM 0 HB2 ARG A 57 -15.258 -0.854 -32.810 1.00 50.54 H new ATOM 0 HB3 ARG A 57 -15.070 -1.260 -31.115 1.00 50.54 H new ATOM 0 HG2 ARG A 57 -13.646 1.203 -31.715 1.00 60.02 H new ATOM 0 HG3 ARG A 57 -15.308 1.317 -32.259 1.00 60.02 H new ATOM 0 HD2 ARG A 57 -14.353 0.599 -29.461 1.00 60.31 H new ATOM 0 HD3 ARG A 57 -15.158 2.078 -29.946 1.00 60.31 H new ATOM 0 HE ARG A 57 -16.409 -0.511 -29.402 1.00 53.01 H new ATOM 0 HH11 ARG A 57 -16.705 2.590 -31.061 1.00 41.21 H new ATOM 0 HH12 ARG A 57 -18.470 2.526 -31.111 1.00 41.21 H new ATOM 0 HH21 ARG A 57 -18.675 -0.587 -29.469 1.00 53.22 H new ATOM 0 HH22 ARG A 57 -19.581 0.735 -30.214 1.00 53.22 H new ATOM 864 N TYR A 58 -11.089 -0.321 -31.545 1.00 44.04 N ATOM 865 CA TYR A 58 -10.074 0.140 -30.604 1.00 75.43 C ATOM 866 C TYR A 58 -10.366 1.564 -30.143 1.00 41.45 C ATOM 867 O TYR A 58 -10.605 2.455 -30.959 1.00 3.55 O ATOM 868 CB TYR A 58 -8.687 0.072 -31.244 1.00 42.43 C ATOM 869 CG TYR A 58 -7.633 0.849 -30.488 1.00 40.41 C ATOM 870 CD1 TYR A 58 -7.499 0.719 -29.111 1.00 75.14 C ATOM 871 CD2 TYR A 58 -6.770 1.714 -31.151 1.00 21.51 C ATOM 872 CE1 TYR A 58 -6.539 1.428 -28.417 1.00 24.55 C ATOM 873 CE2 TYR A 58 -5.805 2.425 -30.464 1.00 51.14 C ATOM 874 CZ TYR A 58 -5.694 2.279 -29.097 1.00 43.14 C ATOM 875 OH TYR A 58 -4.734 2.986 -28.409 1.00 33.40 O ATOM 0 H TYR A 58 -10.818 -0.251 -32.526 1.00 44.04 H new ATOM 0 HA TYR A 58 -10.097 -0.516 -29.733 1.00 75.43 H new ATOM 0 HB2 TYR A 58 -8.378 -0.971 -31.312 1.00 42.43 H new ATOM 0 HB3 TYR A 58 -8.747 0.454 -32.263 1.00 42.43 H new ATOM 0 HD1 TYR A 58 -8.157 0.052 -28.574 1.00 75.14 H new ATOM 0 HD2 TYR A 58 -6.855 1.832 -32.221 1.00 21.51 H new ATOM 0 HE1 TYR A 58 -6.450 1.317 -27.346 1.00 24.55 H new ATOM 0 HE2 TYR A 58 -5.141 3.092 -30.994 1.00 51.14 H new ATOM 0 HH TYR A 58 -4.222 3.539 -29.036 1.00 33.40 H new ATOM 885 N TRP A 59 -10.344 1.771 -28.832 1.00 24.22 N ATOM 886 CA TRP A 59 -10.605 3.087 -28.261 1.00 4.31 C ATOM 887 C TRP A 59 -9.951 3.226 -26.890 1.00 72.43 C ATOM 888 O TRP A 59 -10.465 2.718 -25.893 1.00 53.33 O ATOM 889 CB TRP A 59 -12.111 3.327 -28.148 1.00 10.31 C ATOM 890 CG TRP A 59 -12.476 4.325 -27.091 1.00 1.12 C ATOM 891 CD1 TRP A 59 -12.041 5.616 -26.997 1.00 42.33 C ATOM 892 CD2 TRP A 59 -13.349 4.112 -25.976 1.00 53.35 C ATOM 893 NE1 TRP A 59 -12.591 6.219 -25.892 1.00 31.01 N ATOM 894 CE2 TRP A 59 -13.398 5.318 -25.249 1.00 73.24 C ATOM 895 CE3 TRP A 59 -14.096 3.022 -25.523 1.00 74.23 C ATOM 896 CZ2 TRP A 59 -14.164 5.460 -24.095 1.00 25.10 C ATOM 897 CZ3 TRP A 59 -14.855 3.164 -24.377 1.00 52.42 C ATOM 898 CH2 TRP A 59 -14.885 4.376 -23.674 1.00 21.00 C ATOM 0 H TRP A 59 -10.148 1.044 -28.144 1.00 24.22 H new ATOM 0 HA TRP A 59 -10.174 3.836 -28.926 1.00 4.31 H new ATOM 0 HB2 TRP A 59 -12.490 3.672 -29.110 1.00 10.31 H new ATOM 0 HB3 TRP A 59 -12.607 2.381 -27.931 1.00 10.31 H new ATOM 0 HD1 TRP A 59 -11.364 6.093 -27.690 1.00 42.33 H new ATOM 0 HE1 TRP A 59 -12.425 7.182 -25.598 1.00 31.01 H new ATOM 0 HE3 TRP A 59 -14.081 2.085 -26.059 1.00 74.23 H new ATOM 0 HZ2 TRP A 59 -14.188 6.393 -23.551 1.00 25.10 H new ATOM 0 HZ3 TRP A 59 -15.435 2.327 -24.017 1.00 52.42 H new ATOM 0 HH2 TRP A 59 -15.489 4.456 -22.782 1.00 21.00 H new ATOM 909 N ASP A 60 -8.816 3.915 -26.848 1.00 33.24 N ATOM 910 CA ASP A 60 -8.093 4.121 -25.598 1.00 73.30 C ATOM 911 C ASP A 60 -8.370 5.510 -25.033 1.00 4.50 C ATOM 912 O ASP A 60 -8.801 6.411 -25.754 1.00 51.12 O ATOM 913 CB ASP A 60 -6.591 3.935 -25.817 1.00 30.24 C ATOM 914 CG ASP A 60 -6.010 4.973 -26.757 1.00 20.44 C ATOM 915 OD1 ASP A 60 -6.797 5.687 -27.412 1.00 14.43 O ATOM 916 OD2 ASP A 60 -4.768 5.071 -26.837 1.00 22.34 O ATOM 0 H ASP A 60 -8.377 4.340 -27.664 1.00 33.24 H new ATOM 0 HA ASP A 60 -8.441 3.380 -24.878 1.00 73.30 H new ATOM 0 HB2 ASP A 60 -6.077 3.990 -24.857 1.00 30.24 H new ATOM 0 HB3 ASP A 60 -6.406 2.940 -26.221 1.00 30.24 H new ATOM 921 N LEU A 61 -8.119 5.678 -23.739 1.00 74.12 N ATOM 922 CA LEU A 61 -8.342 6.958 -23.076 1.00 40.22 C ATOM 923 C LEU A 61 -7.535 7.050 -21.785 1.00 42.52 C ATOM 924 O LEU A 61 -7.115 6.036 -21.230 1.00 2.32 O ATOM 925 CB LEU A 61 -9.830 7.147 -22.775 1.00 41.24 C ATOM 926 CG LEU A 61 -10.367 6.404 -21.552 1.00 1.45 C ATOM 927 CD1 LEU A 61 -10.885 7.389 -20.515 1.00 31.24 C ATOM 928 CD2 LEU A 61 -11.462 5.429 -21.958 1.00 11.13 C ATOM 0 H LEU A 61 -7.761 4.944 -23.128 1.00 74.12 H new ATOM 0 HA LEU A 61 -8.010 7.750 -23.748 1.00 40.22 H new ATOM 0 HB2 LEU A 61 -10.021 8.212 -22.641 1.00 41.24 H new ATOM 0 HB3 LEU A 61 -10.400 6.829 -23.648 1.00 41.24 H new ATOM 0 HG LEU A 61 -9.550 5.836 -21.108 1.00 1.45 H new ATOM 0 HD11 LEU A 61 -11.263 6.842 -19.651 1.00 31.24 H new ATOM 0 HD12 LEU A 61 -10.075 8.047 -20.201 1.00 31.24 H new ATOM 0 HD13 LEU A 61 -11.689 7.984 -20.948 1.00 31.24 H new ATOM 0 HD21 LEU A 61 -11.832 4.909 -21.074 1.00 11.13 H new ATOM 0 HD22 LEU A 61 -12.280 5.975 -22.427 1.00 11.13 H new ATOM 0 HD23 LEU A 61 -11.059 4.703 -22.664 1.00 11.13 H new ATOM 940 N GLY A 62 -7.323 8.275 -21.312 1.00 34.24 N ATOM 941 CA GLY A 62 -6.569 8.477 -20.088 1.00 72.03 C ATOM 942 C GLY A 62 -7.452 8.477 -18.856 1.00 71.31 C ATOM 943 O GLY A 62 -8.598 8.028 -18.887 1.00 70.34 O ATOM 0 H GLY A 62 -7.660 9.130 -21.754 1.00 34.24 H new ATOM 0 HA2 GLY A 62 -5.819 7.692 -19.993 1.00 72.03 H new ATOM 0 HA3 GLY A 62 -6.033 9.424 -20.147 1.00 72.03 H new ATOM 947 N PRO A 63 -6.915 8.989 -17.739 1.00 32.34 N ATOM 948 CA PRO A 63 -7.645 9.056 -16.469 1.00 2.11 C ATOM 949 C PRO A 63 -8.805 10.044 -16.519 1.00 13.01 C ATOM 950 O PRO A 63 -8.604 11.256 -16.461 1.00 51.35 O ATOM 951 CB PRO A 63 -6.582 9.529 -15.474 1.00 51.40 C ATOM 952 CG PRO A 63 -5.584 10.260 -16.305 1.00 20.54 C ATOM 953 CD PRO A 63 -5.555 9.542 -17.629 1.00 21.43 C ATOM 0 HA PRO A 63 -8.098 8.099 -16.208 1.00 2.11 H new ATOM 0 HB2 PRO A 63 -7.014 10.178 -14.712 1.00 51.40 H new ATOM 0 HB3 PRO A 63 -6.124 8.688 -14.954 1.00 51.40 H new ATOM 0 HG2 PRO A 63 -5.869 11.304 -16.432 1.00 20.54 H new ATOM 0 HG3 PRO A 63 -4.601 10.253 -15.834 1.00 20.54 H new ATOM 0 HD2 PRO A 63 -5.328 10.221 -18.451 1.00 21.43 H new ATOM 0 HD3 PRO A 63 -4.798 8.758 -17.646 1.00 21.43 H new ATOM 961 N GLY A 64 -10.021 9.517 -16.626 1.00 33.10 N ATOM 962 CA GLY A 64 -11.196 10.367 -16.681 1.00 51.05 C ATOM 963 C GLY A 64 -12.482 9.593 -16.470 1.00 13.33 C ATOM 964 O GLY A 64 -12.516 8.375 -16.641 1.00 51.34 O ATOM 0 H GLY A 64 -10.213 8.517 -16.676 1.00 33.10 H new ATOM 0 HA2 GLY A 64 -11.114 11.144 -15.921 1.00 51.05 H new ATOM 0 HA3 GLY A 64 -11.232 10.869 -17.648 1.00 51.05 H new ATOM 968 N GLU A 65 -13.542 10.302 -16.094 1.00 35.10 N ATOM 969 CA GLU A 65 -14.836 9.672 -15.856 1.00 40.21 C ATOM 970 C GLU A 65 -15.847 10.087 -16.921 1.00 12.42 C ATOM 971 O GLU A 65 -15.862 11.236 -17.364 1.00 61.13 O ATOM 972 CB GLU A 65 -15.360 10.042 -14.467 1.00 55.21 C ATOM 973 CG GLU A 65 -16.763 9.529 -14.190 1.00 15.13 C ATOM 974 CD GLU A 65 -17.806 10.629 -14.233 1.00 12.22 C ATOM 975 OE1 GLU A 65 -17.772 11.514 -13.353 1.00 15.24 O ATOM 976 OE2 GLU A 65 -18.656 10.605 -15.148 1.00 20.33 O ATOM 0 H GLU A 65 -13.530 11.311 -15.948 1.00 35.10 H new ATOM 0 HA GLU A 65 -14.701 8.592 -15.909 1.00 40.21 H new ATOM 0 HB2 GLU A 65 -14.681 9.643 -13.713 1.00 55.21 H new ATOM 0 HB3 GLU A 65 -15.351 11.127 -14.362 1.00 55.21 H new ATOM 0 HG2 GLU A 65 -17.017 8.764 -14.923 1.00 15.13 H new ATOM 0 HG3 GLU A 65 -16.784 9.051 -13.210 1.00 15.13 H new ATOM 983 N TYR A 66 -16.690 9.145 -17.327 1.00 35.34 N ATOM 984 CA TYR A 66 -17.703 9.411 -18.341 1.00 73.53 C ATOM 985 C TYR A 66 -18.822 8.374 -18.279 1.00 45.54 C ATOM 986 O TYR A 66 -18.629 7.266 -17.780 1.00 71.10 O ATOM 987 CB TYR A 66 -17.071 9.413 -19.734 1.00 75.33 C ATOM 988 CG TYR A 66 -17.257 8.114 -20.485 1.00 61.43 C ATOM 989 CD1 TYR A 66 -16.450 7.014 -20.221 1.00 30.10 C ATOM 990 CD2 TYR A 66 -18.240 7.986 -21.459 1.00 31.31 C ATOM 991 CE1 TYR A 66 -16.616 5.825 -20.905 1.00 44.54 C ATOM 992 CE2 TYR A 66 -18.414 6.801 -22.147 1.00 61.53 C ATOM 993 CZ TYR A 66 -17.599 5.724 -21.867 1.00 62.43 C ATOM 994 OH TYR A 66 -17.768 4.541 -22.550 1.00 62.02 O ATOM 0 H TYR A 66 -16.692 8.190 -16.969 1.00 35.34 H new ATOM 0 HA TYR A 66 -18.131 10.393 -18.142 1.00 73.53 H new ATOM 0 HB2 TYR A 66 -17.502 10.226 -20.318 1.00 75.33 H new ATOM 0 HB3 TYR A 66 -16.005 9.619 -19.640 1.00 75.33 H new ATOM 0 HD1 TYR A 66 -15.680 7.090 -19.468 1.00 30.10 H new ATOM 0 HD2 TYR A 66 -18.879 8.828 -21.682 1.00 31.31 H new ATOM 0 HE1 TYR A 66 -15.980 4.980 -20.688 1.00 44.54 H new ATOM 0 HE2 TYR A 66 -19.184 6.718 -22.900 1.00 61.53 H new ATOM 0 HH TYR A 66 -16.941 4.317 -23.025 1.00 62.02 H new ATOM 1004 N SER A 67 -19.991 8.744 -18.791 1.00 50.43 N ATOM 1005 CA SER A 67 -21.142 7.850 -18.792 1.00 74.43 C ATOM 1006 C SER A 67 -22.173 8.292 -19.826 1.00 73.25 C ATOM 1007 O SER A 67 -23.207 8.866 -19.483 1.00 23.30 O ATOM 1008 CB SER A 67 -21.783 7.807 -17.403 1.00 63.45 C ATOM 1009 OG SER A 67 -23.092 7.266 -17.462 1.00 5.52 O ATOM 0 H SER A 67 -20.166 9.657 -19.211 1.00 50.43 H new ATOM 0 HA SER A 67 -20.794 6.851 -19.055 1.00 74.43 H new ATOM 0 HB2 SER A 67 -21.168 7.206 -16.733 1.00 63.45 H new ATOM 0 HB3 SER A 67 -21.820 8.813 -16.985 1.00 63.45 H new ATOM 0 HG SER A 67 -23.674 7.871 -17.967 1.00 5.52 H new ATOM 1015 N SER A 68 -21.884 8.020 -21.095 1.00 4.30 N ATOM 1016 CA SER A 68 -22.783 8.393 -22.181 1.00 4.00 C ATOM 1017 C SER A 68 -23.855 7.328 -22.388 1.00 61.34 C ATOM 1018 O SER A 68 -23.828 6.272 -21.756 1.00 20.20 O ATOM 1019 CB SER A 68 -21.994 8.598 -23.476 1.00 54.30 C ATOM 1020 OG SER A 68 -21.019 9.615 -23.324 1.00 21.14 O ATOM 0 H SER A 68 -21.034 7.543 -21.396 1.00 4.30 H new ATOM 0 HA SER A 68 -23.273 9.328 -21.910 1.00 4.00 H new ATOM 0 HB2 SER A 68 -21.509 7.665 -23.761 1.00 54.30 H new ATOM 0 HB3 SER A 68 -22.677 8.862 -24.283 1.00 54.30 H new ATOM 0 HG SER A 68 -20.528 9.725 -24.165 1.00 21.14 H new ATOM 1026 N VAL A 69 -24.799 7.613 -23.280 1.00 10.14 N ATOM 1027 CA VAL A 69 -25.881 6.680 -23.573 1.00 3.45 C ATOM 1028 C VAL A 69 -26.324 6.792 -25.027 1.00 23.10 C ATOM 1029 O VAL A 69 -27.382 6.289 -25.404 1.00 25.23 O ATOM 1030 CB VAL A 69 -27.095 6.924 -22.657 1.00 53.22 C ATOM 1031 CG1 VAL A 69 -27.811 8.208 -23.050 1.00 21.31 C ATOM 1032 CG2 VAL A 69 -28.046 5.738 -22.707 1.00 22.54 C ATOM 0 H VAL A 69 -24.836 8.482 -23.812 1.00 10.14 H new ATOM 0 HA VAL A 69 -25.493 5.678 -23.391 1.00 3.45 H new ATOM 0 HB VAL A 69 -26.739 7.033 -21.632 1.00 53.22 H new ATOM 0 HG11 VAL A 69 -28.666 8.364 -22.392 1.00 21.31 H new ATOM 0 HG12 VAL A 69 -27.125 9.050 -22.959 1.00 21.31 H new ATOM 0 HG13 VAL A 69 -28.156 8.131 -24.081 1.00 21.31 H new ATOM 0 HG21 VAL A 69 -28.898 5.927 -22.054 1.00 22.54 H new ATOM 0 HG22 VAL A 69 -28.397 5.596 -23.729 1.00 22.54 H new ATOM 0 HG23 VAL A 69 -27.526 4.840 -22.374 1.00 22.54 H new ATOM 1042 N GLU A 70 -25.506 7.454 -25.840 1.00 15.43 N ATOM 1043 CA GLU A 70 -25.815 7.632 -27.254 1.00 32.02 C ATOM 1044 C GLU A 70 -24.714 8.421 -27.956 1.00 62.32 C ATOM 1045 O GLU A 70 -24.979 9.188 -28.881 1.00 43.52 O ATOM 1046 CB GLU A 70 -27.156 8.349 -27.420 1.00 15.44 C ATOM 1047 CG GLU A 70 -27.291 9.594 -26.559 1.00 52.41 C ATOM 1048 CD GLU A 70 -28.411 10.506 -27.023 1.00 31.43 C ATOM 1049 OE1 GLU A 70 -29.570 10.042 -27.074 1.00 24.11 O ATOM 1050 OE2 GLU A 70 -28.129 11.681 -27.334 1.00 55.54 O ATOM 0 H GLU A 70 -24.626 7.875 -25.544 1.00 15.43 H new ATOM 0 HA GLU A 70 -25.880 6.645 -27.712 1.00 32.02 H new ATOM 0 HB2 GLU A 70 -27.283 8.626 -28.467 1.00 15.44 H new ATOM 0 HB3 GLU A 70 -27.961 7.657 -27.173 1.00 15.44 H new ATOM 0 HG2 GLU A 70 -27.473 9.299 -25.526 1.00 52.41 H new ATOM 0 HG3 GLU A 70 -26.350 10.144 -26.573 1.00 52.41 H new ATOM 1057 N SER A 71 -23.477 8.225 -27.509 1.00 52.54 N ATOM 1058 CA SER A 71 -22.335 8.921 -28.091 1.00 54.23 C ATOM 1059 C SER A 71 -21.060 8.099 -27.933 1.00 30.00 C ATOM 1060 O SER A 71 -19.953 8.630 -28.012 1.00 64.44 O ATOM 1061 CB SER A 71 -22.157 10.291 -27.434 1.00 53.45 C ATOM 1062 OG SER A 71 -21.059 10.988 -27.998 1.00 13.03 O ATOM 0 H SER A 71 -23.240 7.590 -26.746 1.00 52.54 H new ATOM 0 HA SER A 71 -22.528 9.059 -29.155 1.00 54.23 H new ATOM 0 HB2 SER A 71 -23.067 10.878 -27.558 1.00 53.45 H new ATOM 0 HB3 SER A 71 -22.001 10.167 -26.362 1.00 53.45 H new ATOM 0 HG SER A 71 -20.322 10.362 -28.159 1.00 13.03 H new ATOM 1068 N ALA A 72 -21.225 6.800 -27.708 1.00 73.44 N ATOM 1069 CA ALA A 72 -20.089 5.903 -27.541 1.00 24.33 C ATOM 1070 C ALA A 72 -20.305 4.595 -28.295 1.00 40.32 C ATOM 1071 O ALA A 72 -19.693 3.576 -27.979 1.00 3.10 O ATOM 1072 CB ALA A 72 -19.846 5.628 -26.064 1.00 13.21 C ATOM 0 H ALA A 72 -22.135 6.345 -27.637 1.00 73.44 H new ATOM 0 HA ALA A 72 -19.209 6.392 -27.959 1.00 24.33 H new ATOM 0 HB1 ALA A 72 -18.994 4.956 -25.954 1.00 13.21 H new ATOM 0 HB2 ALA A 72 -19.637 6.566 -25.549 1.00 13.21 H new ATOM 0 HB3 ALA A 72 -20.732 5.165 -25.630 1.00 13.21 H new ATOM 1078 N GLY A 73 -21.181 4.632 -29.295 1.00 32.13 N ATOM 1079 CA GLY A 73 -21.463 3.443 -30.078 1.00 12.21 C ATOM 1080 C GLY A 73 -22.189 2.380 -29.277 1.00 63.03 C ATOM 1081 O GLY A 73 -21.652 1.855 -28.301 1.00 73.22 O ATOM 0 H GLY A 73 -21.700 5.464 -29.577 1.00 32.13 H new ATOM 0 HA2 GLY A 73 -22.066 3.716 -30.944 1.00 12.21 H new ATOM 0 HA3 GLY A 73 -20.528 3.032 -30.458 1.00 12.21 H new ATOM 1085 N ILE A 74 -23.412 2.063 -29.689 1.00 44.21 N ATOM 1086 CA ILE A 74 -24.211 1.056 -29.003 1.00 14.33 C ATOM 1087 C ILE A 74 -24.506 -0.128 -29.916 1.00 71.45 C ATOM 1088 O ILE A 74 -25.649 -0.381 -30.298 1.00 51.52 O ATOM 1089 CB ILE A 74 -25.542 1.643 -28.497 1.00 12.43 C ATOM 1090 CG1 ILE A 74 -25.287 2.910 -27.677 1.00 52.01 C ATOM 1091 CG2 ILE A 74 -26.295 0.613 -27.669 1.00 20.24 C ATOM 1092 CD1 ILE A 74 -26.554 3.604 -27.228 1.00 3.32 C ATOM 0 H ILE A 74 -23.871 2.489 -30.494 1.00 44.21 H new ATOM 0 HA ILE A 74 -23.625 0.716 -28.149 1.00 14.33 H new ATOM 0 HB ILE A 74 -26.156 1.907 -29.358 1.00 12.43 H new ATOM 0 HG12 ILE A 74 -24.693 2.652 -26.800 1.00 52.01 H new ATOM 0 HG13 ILE A 74 -24.693 3.604 -28.271 1.00 52.01 H new ATOM 0 HG21 ILE A 74 -27.233 1.043 -27.319 1.00 20.24 H new ATOM 0 HG22 ILE A 74 -26.504 -0.264 -28.282 1.00 20.24 H new ATOM 0 HG23 ILE A 74 -25.688 0.321 -26.812 1.00 20.24 H new ATOM 0 HD11 ILE A 74 -26.297 4.493 -26.652 1.00 3.32 H new ATOM 0 HD12 ILE A 74 -27.139 3.893 -28.101 1.00 3.32 H new ATOM 0 HD13 ILE A 74 -27.140 2.926 -26.607 1.00 3.32 H new ATOM 1104 N PRO A 75 -23.451 -0.875 -30.275 1.00 75.54 N ATOM 1105 CA PRO A 75 -23.572 -2.048 -31.147 1.00 21.12 C ATOM 1106 C PRO A 75 -23.872 -3.323 -30.365 1.00 41.33 C ATOM 1107 O PRO A 75 -24.894 -3.972 -30.587 1.00 51.00 O ATOM 1108 CB PRO A 75 -22.196 -2.139 -31.811 1.00 22.31 C ATOM 1109 CG PRO A 75 -21.571 -0.808 -31.572 1.00 71.15 C ATOM 1110 CD PRO A 75 -22.060 -0.633 -29.858 1.00 33.23 C ATOM 0 HA PRO A 75 -24.396 -1.948 -31.854 1.00 21.12 H new ATOM 0 HB2 PRO A 75 -21.599 -2.941 -31.376 1.00 22.31 H new ATOM 0 HB3 PRO A 75 -22.284 -2.349 -32.877 1.00 22.31 H new ATOM 0 HG2 PRO A 75 -20.490 -0.811 -31.711 1.00 71.15 H new ATOM 0 HG3 PRO A 75 -21.973 -0.024 -32.214 1.00 71.15 H new ATOM 0 HD2 PRO A 75 -21.643 -1.375 -29.177 1.00 33.23 H new ATOM 0 HD3 PRO A 75 -21.870 0.346 -29.418 1.00 33.23 H new ATOM 1118 N ASP A 76 -22.975 -3.675 -29.451 1.00 13.14 N ATOM 1119 CA ASP A 76 -23.145 -4.872 -28.635 1.00 11.43 C ATOM 1120 C ASP A 76 -21.985 -5.032 -27.657 1.00 62.13 C ATOM 1121 O ASP A 76 -20.826 -4.831 -28.017 1.00 3.45 O ATOM 1122 CB ASP A 76 -23.253 -6.111 -29.525 1.00 13.41 C ATOM 1123 CG ASP A 76 -22.238 -6.105 -30.651 1.00 21.13 C ATOM 1124 OD1 ASP A 76 -22.516 -5.483 -31.697 1.00 31.01 O ATOM 1125 OD2 ASP A 76 -21.165 -6.724 -30.486 1.00 13.41 O ATOM 0 H ASP A 76 -22.123 -3.149 -29.256 1.00 13.14 H new ATOM 0 HA ASP A 76 -24.067 -4.764 -28.063 1.00 11.43 H new ATOM 0 HB2 ASP A 76 -23.112 -7.005 -28.917 1.00 13.41 H new ATOM 0 HB3 ASP A 76 -24.257 -6.167 -29.945 1.00 13.41 H new ATOM 1130 N ASN A 77 -22.306 -5.395 -26.420 1.00 11.13 N ATOM 1131 CA ASN A 77 -21.291 -5.581 -25.390 1.00 5.33 C ATOM 1132 C ASN A 77 -20.806 -7.027 -25.358 1.00 44.15 C ATOM 1133 O ASN A 77 -20.560 -7.587 -24.290 1.00 61.13 O ATOM 1134 CB ASN A 77 -21.846 -5.188 -24.019 1.00 52.44 C ATOM 1135 CG ASN A 77 -20.825 -4.457 -23.169 1.00 63.41 C ATOM 1136 OD1 ASN A 77 -21.081 -3.358 -22.678 1.00 73.01 O ATOM 1137 ND2 ASN A 77 -19.659 -5.067 -22.991 1.00 65.34 N ATOM 0 H ASN A 77 -23.261 -5.566 -26.106 1.00 11.13 H new ATOM 0 HA ASN A 77 -20.445 -4.937 -25.630 1.00 5.33 H new ATOM 0 HB2 ASN A 77 -22.723 -4.555 -24.153 1.00 52.44 H new ATOM 0 HB3 ASN A 77 -22.177 -6.084 -23.494 1.00 52.44 H new ATOM 0 HD21 ASN A 77 -18.933 -4.624 -22.428 1.00 65.34 H new ATOM 0 HD22 ASN A 77 -19.490 -5.978 -23.417 1.00 65.34 H new ATOM 1144 N SER A 78 -20.670 -7.625 -26.538 1.00 24.35 N ATOM 1145 CA SER A 78 -20.217 -9.007 -26.646 1.00 30.33 C ATOM 1146 C SER A 78 -18.731 -9.067 -26.984 1.00 64.33 C ATOM 1147 O SER A 78 -18.213 -8.215 -27.706 1.00 43.23 O ATOM 1148 CB SER A 78 -21.025 -9.749 -27.712 1.00 51.24 C ATOM 1149 OG SER A 78 -20.724 -11.133 -27.710 1.00 24.43 O ATOM 0 H SER A 78 -20.867 -7.174 -27.432 1.00 24.35 H new ATOM 0 HA SER A 78 -20.372 -9.490 -25.681 1.00 30.33 H new ATOM 0 HB2 SER A 78 -22.090 -9.605 -27.531 1.00 51.24 H new ATOM 0 HB3 SER A 78 -20.809 -9.328 -28.694 1.00 51.24 H new ATOM 0 HG SER A 78 -21.255 -11.584 -28.399 1.00 24.43 H new ATOM 1155 N ILE A 79 -18.051 -10.080 -26.458 1.00 22.14 N ATOM 1156 CA ILE A 79 -16.625 -10.253 -26.704 1.00 44.44 C ATOM 1157 C ILE A 79 -15.857 -8.967 -26.415 1.00 32.11 C ATOM 1158 O ILE A 79 -14.835 -8.688 -27.041 1.00 41.11 O ATOM 1159 CB ILE A 79 -16.353 -10.683 -28.158 1.00 22.32 C ATOM 1160 CG1 ILE A 79 -17.405 -11.694 -28.619 1.00 31.05 C ATOM 1161 CG2 ILE A 79 -14.955 -11.271 -28.284 1.00 12.05 C ATOM 1162 CD1 ILE A 79 -17.467 -12.936 -27.758 1.00 33.33 C ATOM 0 H ILE A 79 -18.465 -10.794 -25.858 1.00 22.14 H new ATOM 0 HA ILE A 79 -16.282 -11.038 -26.030 1.00 44.44 H new ATOM 0 HB ILE A 79 -16.415 -9.804 -28.799 1.00 22.32 H new ATOM 0 HG12 ILE A 79 -18.383 -11.213 -28.620 1.00 31.05 H new ATOM 0 HG13 ILE A 79 -17.192 -11.985 -29.648 1.00 31.05 H new ATOM 0 HG21 ILE A 79 -14.778 -11.570 -29.317 1.00 12.05 H new ATOM 0 HG22 ILE A 79 -14.218 -10.523 -27.991 1.00 12.05 H new ATOM 0 HG23 ILE A 79 -14.866 -12.142 -27.634 1.00 12.05 H new ATOM 0 HD11 ILE A 79 -18.234 -13.608 -28.143 1.00 33.33 H new ATOM 0 HD12 ILE A 79 -16.501 -13.440 -27.776 1.00 33.33 H new ATOM 0 HD13 ILE A 79 -17.711 -12.656 -26.733 1.00 33.33 H new ATOM 1174 N SER A 80 -16.357 -8.188 -25.460 1.00 64.35 N ATOM 1175 CA SER A 80 -15.719 -6.931 -25.089 1.00 12.44 C ATOM 1176 C SER A 80 -14.570 -7.171 -24.115 1.00 25.40 C ATOM 1177 O SER A 80 -14.606 -8.105 -23.313 1.00 44.41 O ATOM 1178 CB SER A 80 -16.743 -5.981 -24.462 1.00 64.43 C ATOM 1179 OG SER A 80 -17.936 -5.942 -25.226 1.00 45.42 O ATOM 0 H SER A 80 -17.201 -8.406 -24.930 1.00 64.35 H new ATOM 0 HA SER A 80 -15.316 -6.476 -25.994 1.00 12.44 H new ATOM 0 HB2 SER A 80 -16.969 -6.304 -23.446 1.00 64.43 H new ATOM 0 HB3 SER A 80 -16.319 -4.979 -24.392 1.00 64.43 H new ATOM 0 HG SER A 80 -17.714 -5.946 -26.180 1.00 45.42 H new ATOM 1185 N SER A 81 -13.550 -6.322 -24.192 1.00 22.32 N ATOM 1186 CA SER A 81 -12.387 -6.444 -23.321 1.00 3.33 C ATOM 1187 C SER A 81 -11.616 -5.129 -23.257 1.00 10.41 C ATOM 1188 O SER A 81 -11.561 -4.380 -24.233 1.00 24.20 O ATOM 1189 CB SER A 81 -11.468 -7.563 -23.815 1.00 1.14 C ATOM 1190 OG SER A 81 -11.260 -8.535 -22.804 1.00 45.35 O ATOM 0 H SER A 81 -13.506 -5.543 -24.848 1.00 22.32 H new ATOM 0 HA SER A 81 -12.739 -6.688 -22.319 1.00 3.33 H new ATOM 0 HB2 SER A 81 -11.906 -8.036 -24.694 1.00 1.14 H new ATOM 0 HB3 SER A 81 -10.510 -7.143 -24.122 1.00 1.14 H new ATOM 0 HG SER A 81 -10.671 -9.240 -23.145 1.00 45.35 H new ATOM 1196 N PHE A 82 -11.022 -4.854 -22.100 1.00 53.53 N ATOM 1197 CA PHE A 82 -10.255 -3.629 -21.907 1.00 51.50 C ATOM 1198 C PHE A 82 -9.126 -3.846 -20.903 1.00 74.35 C ATOM 1199 O PHE A 82 -9.353 -4.326 -19.792 1.00 53.25 O ATOM 1200 CB PHE A 82 -11.169 -2.500 -21.427 1.00 13.45 C ATOM 1201 CG PHE A 82 -11.714 -2.717 -20.044 1.00 4.54 C ATOM 1202 CD1 PHE A 82 -12.673 -3.688 -19.807 1.00 12.30 C ATOM 1203 CD2 PHE A 82 -11.265 -1.950 -18.980 1.00 54.21 C ATOM 1204 CE1 PHE A 82 -13.176 -3.889 -18.535 1.00 52.35 C ATOM 1205 CE2 PHE A 82 -11.765 -2.147 -17.706 1.00 45.42 C ATOM 1206 CZ PHE A 82 -12.720 -3.118 -17.484 1.00 35.24 C ATOM 0 H PHE A 82 -11.057 -5.463 -21.282 1.00 53.53 H new ATOM 0 HA PHE A 82 -9.817 -3.350 -22.865 1.00 51.50 H new ATOM 0 HB2 PHE A 82 -10.615 -1.561 -21.448 1.00 13.45 H new ATOM 0 HB3 PHE A 82 -12.000 -2.395 -22.124 1.00 13.45 H new ATOM 0 HD1 PHE A 82 -13.032 -4.295 -20.625 1.00 12.30 H new ATOM 0 HD2 PHE A 82 -10.516 -1.190 -19.148 1.00 54.21 H new ATOM 0 HE1 PHE A 82 -13.925 -4.648 -18.363 1.00 52.35 H new ATOM 0 HE2 PHE A 82 -11.409 -1.542 -16.886 1.00 45.42 H new ATOM 0 HZ PHE A 82 -13.110 -3.275 -16.489 1.00 35.24 H new ATOM 1216 N ARG A 83 -7.910 -3.491 -21.304 1.00 10.22 N ATOM 1217 CA ARG A 83 -6.745 -3.649 -20.441 1.00 53.42 C ATOM 1218 C ARG A 83 -6.274 -2.298 -19.911 1.00 52.53 C ATOM 1219 O ARG A 83 -6.009 -1.376 -20.683 1.00 64.50 O ATOM 1220 CB ARG A 83 -5.609 -4.334 -21.203 1.00 33.13 C ATOM 1221 CG ARG A 83 -6.019 -5.642 -21.860 1.00 41.22 C ATOM 1222 CD ARG A 83 -5.317 -6.830 -21.222 1.00 64.11 C ATOM 1223 NE ARG A 83 -4.987 -7.862 -22.202 1.00 3.31 N ATOM 1224 CZ ARG A 83 -4.288 -8.954 -21.912 1.00 52.23 C ATOM 1225 NH1 ARG A 83 -3.849 -9.156 -20.678 1.00 3.42 N ATOM 1226 NH2 ARG A 83 -4.028 -9.847 -22.859 1.00 34.05 N ATOM 0 H ARG A 83 -7.706 -3.092 -22.220 1.00 10.22 H new ATOM 0 HA ARG A 83 -7.033 -4.272 -19.594 1.00 53.42 H new ATOM 0 HB2 ARG A 83 -5.235 -3.654 -21.968 1.00 33.13 H new ATOM 0 HB3 ARG A 83 -4.785 -4.525 -20.516 1.00 33.13 H new ATOM 0 HG2 ARG A 83 -7.098 -5.769 -21.778 1.00 41.22 H new ATOM 0 HG3 ARG A 83 -5.782 -5.606 -22.923 1.00 41.22 H new ATOM 0 HD2 ARG A 83 -4.405 -6.491 -20.731 1.00 64.11 H new ATOM 0 HD3 ARG A 83 -5.956 -7.256 -20.448 1.00 64.11 H new ATOM 0 HE ARG A 83 -5.311 -7.737 -23.161 1.00 3.31 H new ATOM 0 HH11 ARG A 83 -4.048 -8.472 -19.948 1.00 3.42 H new ATOM 0 HH12 ARG A 83 -3.313 -9.995 -20.459 1.00 3.42 H new ATOM 0 HH21 ARG A 83 -4.365 -9.695 -23.810 1.00 34.05 H new ATOM 0 HH22 ARG A 83 -3.491 -10.685 -22.636 1.00 34.05 H new ATOM 1240 N GLN A 84 -6.174 -2.188 -18.591 1.00 0.05 N ATOM 1241 CA GLN A 84 -5.736 -0.949 -17.958 1.00 72.12 C ATOM 1242 C GLN A 84 -4.226 -0.951 -17.746 1.00 10.44 C ATOM 1243 O GLN A 84 -3.670 -1.893 -17.180 1.00 52.41 O ATOM 1244 CB GLN A 84 -6.451 -0.754 -16.620 1.00 74.32 C ATOM 1245 CG GLN A 84 -7.960 -0.925 -16.706 1.00 25.21 C ATOM 1246 CD GLN A 84 -8.430 -2.252 -16.143 1.00 5.12 C ATOM 1247 OE1 GLN A 84 -9.147 -3.002 -16.806 1.00 1.43 O ATOM 1248 NE2 GLN A 84 -8.027 -2.549 -14.913 1.00 23.31 N ATOM 0 H GLN A 84 -6.390 -2.942 -17.938 1.00 0.05 H new ATOM 0 HA GLN A 84 -5.990 -0.122 -18.621 1.00 72.12 H new ATOM 0 HB2 GLN A 84 -6.053 -1.467 -15.898 1.00 74.32 H new ATOM 0 HB3 GLN A 84 -6.228 0.243 -16.240 1.00 74.32 H new ATOM 0 HG2 GLN A 84 -8.445 -0.113 -16.165 1.00 25.21 H new ATOM 0 HG3 GLN A 84 -8.272 -0.845 -17.747 1.00 25.21 H new ATOM 0 HE21 GLN A 84 -7.433 -1.898 -14.400 1.00 23.31 H new ATOM 0 HE22 GLN A 84 -8.311 -3.428 -14.482 1.00 23.31 H new ATOM 1257 N ILE A 85 -3.568 0.110 -18.202 1.00 73.34 N ATOM 1258 CA ILE A 85 -2.123 0.230 -18.061 1.00 45.32 C ATOM 1259 C ILE A 85 -1.759 1.179 -16.924 1.00 65.11 C ATOM 1260 O ILE A 85 -1.801 2.393 -17.116 1.00 10.24 O ATOM 1261 CB ILE A 85 -1.470 0.733 -19.363 1.00 23.54 C ATOM 1262 CG1 ILE A 85 -2.084 0.026 -20.573 1.00 21.33 C ATOM 1263 CG2 ILE A 85 0.035 0.511 -19.320 1.00 72.12 C ATOM 1264 CD1 ILE A 85 -1.985 -1.482 -20.506 1.00 64.23 C ATOM 0 H ILE A 85 -4.013 0.898 -18.672 1.00 73.34 H new ATOM 0 HA ILE A 85 -1.744 -0.767 -17.835 1.00 45.32 H new ATOM 0 HB ILE A 85 -1.658 1.803 -19.457 1.00 23.54 H new ATOM 0 HG12 ILE A 85 -3.133 0.310 -20.656 1.00 21.33 H new ATOM 0 HG13 ILE A 85 -1.587 0.375 -21.478 1.00 21.33 H new ATOM 0 HG21 ILE A 85 0.483 0.871 -20.246 1.00 72.12 H new ATOM 0 HG22 ILE A 85 0.459 1.056 -18.476 1.00 72.12 H new ATOM 0 HG23 ILE A 85 0.243 -0.553 -19.206 1.00 72.12 H new ATOM 0 HD11 ILE A 85 -2.440 -1.916 -21.396 1.00 64.23 H new ATOM 0 HD12 ILE A 85 -0.937 -1.776 -20.454 1.00 64.23 H new ATOM 0 HD13 ILE A 85 -2.507 -1.842 -19.619 1.00 64.23 H new