USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 LYS NZ :NH3+ -148:sc= 3.66 (180deg=0.387) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.451! C(o=3.2!,f=-18!) USER MOD Set 2.1: A 56 MET CE :methyl 160:sc= -1.58 (180deg=-2.23) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 40 HIS : no HE2:sc= 0.251 K(o=1.5,f=-2.3!) USER MOD Set 3.2: A 43 SER OG : rot 56:sc= 1.25 USER MOD Single : A 21 TYR OH : rot 48:sc= 1.31 USER MOD Single : A 22 GLN : amide:sc= 0.123 K(o=0.12,f=-3.6!) USER MOD Single : A 23 GLN : amide:sc= 0.513 K(o=0.51,f=-6.5!) USER MOD Single : A 30 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.8!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.702 K(o=-0.7,f=-5.3!) USER MOD Single : A 38 GLN : amide:sc= 0.384 K(o=0.38,f=-0.16) USER MOD Single : A 44 ASN : amide:sc= -0.115 K(o=-0.11,f=-5.4!) USER MOD Single : A 47 GLN : amide:sc= -0.0769 X(o=-0.077,f=-0.091) USER MOD Single : A 60 HIS : no HE2:sc= -0.0411 K(o=-0.041,f=-0.68) USER MOD Single : A 67 TYR OH : rot -114:sc= 1.09 USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.986 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 84 ASN : amide:sc= -0.135 K(o=-0.13,f=-0.68) USER MOD Single : A 85 GLN : amide:sc= -2.39! C(o=-2.4!,f=-6.3!) USER MOD Single : A 87 MET CE :methyl -136:sc= -1.39 (180deg=-1.55) USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 18 8.679 1.167 -3.325 1.00 33.41 N ATOM 69 CA ALA A 18 9.009 -0.225 -3.094 1.00 42.45 C ATOM 70 C ALA A 18 8.487 -1.113 -4.251 1.00 35.25 C ATOM 71 O ALA A 18 8.855 -2.281 -4.373 1.00 24.22 O ATOM 72 CB ALA A 18 8.517 -0.713 -1.762 1.00 14.44 C ATOM 0 HA ALA A 18 10.096 -0.301 -3.071 1.00 42.45 H new ATOM 0 HB1 ALA A 18 8.788 -1.761 -1.636 1.00 14.44 H new ATOM 0 HB2 ALA A 18 8.972 -0.122 -0.967 1.00 14.44 H new ATOM 0 HB3 ALA A 18 7.433 -0.611 -1.715 1.00 14.44 H new ATOM 78 N ALA A 19 7.576 -0.552 -5.067 1.00 53.33 N ATOM 79 CA ALA A 19 7.095 -1.194 -6.274 1.00 61.13 C ATOM 80 C ALA A 19 8.256 -1.442 -7.239 1.00 44.33 C ATOM 81 O ALA A 19 8.211 -2.393 -8.028 1.00 35.11 O ATOM 82 CB ALA A 19 6.019 -0.359 -6.954 1.00 52.41 C ATOM 0 H ALA A 19 7.160 0.363 -4.895 1.00 53.33 H new ATOM 0 HA ALA A 19 6.653 -2.150 -5.992 1.00 61.13 H new ATOM 0 HB1 ALA A 19 5.679 -0.868 -7.856 1.00 52.41 H new ATOM 0 HB2 ALA A 19 5.178 -0.226 -6.274 1.00 52.41 H new ATOM 0 HB3 ALA A 19 6.428 0.616 -7.220 1.00 52.41 H new ATOM 88 N ASP A 20 9.308 -0.588 -7.170 1.00 31.33 N ATOM 89 CA ASP A 20 10.508 -0.811 -7.976 1.00 71.30 C ATOM 90 C ASP A 20 11.095 -2.205 -7.642 1.00 61.12 C ATOM 91 O ASP A 20 11.370 -3.023 -8.523 1.00 33.13 O ATOM 92 CB ASP A 20 11.600 0.282 -7.772 1.00 51.02 C ATOM 93 CG ASP A 20 11.465 1.500 -8.706 1.00 24.12 C ATOM 94 OD1 ASP A 20 10.788 2.463 -8.343 1.00 13.32 O ATOM 95 OD2 ASP A 20 12.094 1.510 -9.816 1.00 33.53 O ATOM 0 H ASP A 20 9.340 0.240 -6.575 1.00 31.33 H new ATOM 0 HA ASP A 20 10.206 -0.757 -9.022 1.00 71.30 H new ATOM 0 HB2 ASP A 20 11.563 0.626 -6.738 1.00 51.02 H new ATOM 0 HB3 ASP A 20 12.581 -0.169 -7.923 1.00 51.02 H new ATOM 100 N TYR A 21 11.186 -2.489 -6.339 1.00 70.04 N ATOM 101 CA TYR A 21 11.699 -3.772 -5.804 1.00 33.42 C ATOM 102 C TYR A 21 10.966 -4.997 -6.383 1.00 72.30 C ATOM 103 O TYR A 21 11.594 -6.033 -6.640 1.00 31.22 O ATOM 104 CB TYR A 21 11.652 -3.762 -4.239 1.00 65.05 C ATOM 105 CG TYR A 21 11.485 -5.128 -3.597 1.00 65.11 C ATOM 106 CD1 TYR A 21 12.455 -6.109 -3.709 1.00 33.22 C ATOM 107 CD2 TYR A 21 10.318 -5.439 -2.919 1.00 62.53 C ATOM 108 CE1 TYR A 21 12.256 -7.360 -3.176 1.00 71.30 C ATOM 109 CE2 TYR A 21 10.124 -6.682 -2.368 1.00 70.22 C ATOM 110 CZ TYR A 21 11.093 -7.643 -2.502 1.00 41.24 C ATOM 111 OH TYR A 21 10.876 -8.907 -1.995 1.00 33.43 O ATOM 0 H TYR A 21 10.904 -1.833 -5.611 1.00 70.04 H new ATOM 0 HA TYR A 21 12.737 -3.866 -6.124 1.00 33.42 H new ATOM 0 HB2 TYR A 21 12.571 -3.311 -3.865 1.00 65.05 H new ATOM 0 HB3 TYR A 21 10.829 -3.123 -3.919 1.00 65.05 H new ATOM 0 HD1 TYR A 21 13.380 -5.889 -4.222 1.00 33.22 H new ATOM 0 HD2 TYR A 21 9.546 -4.690 -2.822 1.00 62.53 H new ATOM 0 HE1 TYR A 21 13.014 -8.121 -3.287 1.00 71.30 H new ATOM 0 HE2 TYR A 21 9.213 -6.902 -1.832 1.00 70.22 H new ATOM 0 HH TYR A 21 11.673 -9.206 -1.509 1.00 33.43 H new ATOM 121 N GLN A 22 9.681 -4.858 -6.632 1.00 43.03 N ATOM 122 CA GLN A 22 8.863 -5.972 -7.118 1.00 52.42 C ATOM 123 C GLN A 22 9.389 -6.419 -8.495 1.00 44.43 C ATOM 124 O GLN A 22 9.623 -7.591 -8.735 1.00 14.25 O ATOM 125 CB GLN A 22 7.389 -5.540 -7.220 1.00 23.11 C ATOM 126 CG GLN A 22 6.879 -4.755 -6.003 1.00 62.41 C ATOM 127 CD GLN A 22 6.868 -5.520 -4.687 1.00 65.12 C ATOM 128 OE1 GLN A 22 6.661 -6.725 -4.638 1.00 74.13 O ATOM 129 NE2 GLN A 22 7.132 -4.818 -3.613 1.00 63.25 N ATOM 0 H GLN A 22 9.170 -3.984 -6.508 1.00 43.03 H new ATOM 0 HA GLN A 22 8.927 -6.806 -6.420 1.00 52.42 H new ATOM 0 HB2 GLN A 22 7.262 -4.928 -8.113 1.00 23.11 H new ATOM 0 HB3 GLN A 22 6.770 -6.427 -7.352 1.00 23.11 H new ATOM 0 HG2 GLN A 22 7.497 -3.866 -5.881 1.00 62.41 H new ATOM 0 HG3 GLN A 22 5.866 -4.412 -6.212 1.00 62.41 H new ATOM 0 HE21 GLN A 22 7.300 -3.815 -3.688 1.00 63.25 H new ATOM 0 HE22 GLN A 22 7.170 -5.275 -2.702 1.00 63.25 H new ATOM 138 N GLN A 23 9.663 -5.439 -9.356 1.00 64.24 N ATOM 139 CA GLN A 23 10.177 -5.714 -10.697 1.00 60.23 C ATOM 140 C GLN A 23 11.612 -6.211 -10.619 1.00 25.21 C ATOM 141 O GLN A 23 12.053 -7.033 -11.425 1.00 31.31 O ATOM 142 CB GLN A 23 10.199 -4.451 -11.539 1.00 22.31 C ATOM 143 CG GLN A 23 8.880 -3.755 -11.755 1.00 70.44 C ATOM 144 CD GLN A 23 9.057 -2.550 -12.658 1.00 55.34 C ATOM 145 OE1 GLN A 23 9.944 -2.537 -13.533 1.00 14.43 O ATOM 146 NE2 GLN A 23 8.262 -1.535 -12.453 1.00 53.44 N ATOM 0 H GLN A 23 9.538 -4.448 -9.149 1.00 64.24 H new ATOM 0 HA GLN A 23 9.522 -6.462 -11.144 1.00 60.23 H new ATOM 0 HB2 GLN A 23 10.884 -3.743 -11.072 1.00 22.31 H new ATOM 0 HB3 GLN A 23 10.615 -4.701 -12.515 1.00 22.31 H new ATOM 0 HG2 GLN A 23 8.165 -4.448 -12.199 1.00 70.44 H new ATOM 0 HG3 GLN A 23 8.467 -3.441 -10.797 1.00 70.44 H new ATOM 0 HE21 GLN A 23 7.548 -1.585 -11.726 1.00 53.44 H new ATOM 0 HE22 GLN A 23 8.355 -0.692 -13.020 1.00 53.44 H new ATOM 155 N LEU A 24 12.332 -5.661 -9.662 1.00 32.12 N ATOM 156 CA LEU A 24 13.743 -5.928 -9.446 1.00 72.13 C ATOM 157 C LEU A 24 13.969 -7.435 -9.241 1.00 12.51 C ATOM 158 O LEU A 24 14.731 -8.065 -9.989 1.00 32.33 O ATOM 159 CB LEU A 24 14.192 -5.114 -8.202 1.00 34.03 C ATOM 160 CG LEU A 24 15.704 -4.894 -7.917 1.00 63.51 C ATOM 161 CD1 LEU A 24 15.853 -4.051 -6.669 1.00 65.24 C ATOM 162 CD2 LEU A 24 16.475 -6.192 -7.735 1.00 2.33 C ATOM 0 H LEU A 24 11.942 -4.997 -8.993 1.00 32.12 H new ATOM 0 HA LEU A 24 14.333 -5.628 -10.312 1.00 72.13 H new ATOM 0 HB2 LEU A 24 13.730 -4.129 -8.276 1.00 34.03 H new ATOM 0 HB3 LEU A 24 13.765 -5.601 -7.325 1.00 34.03 H new ATOM 0 HG LEU A 24 16.125 -4.392 -8.788 1.00 63.51 H new ATOM 0 HD11 LEU A 24 16.911 -3.892 -6.462 1.00 65.24 H new ATOM 0 HD12 LEU A 24 15.364 -3.089 -6.819 1.00 65.24 H new ATOM 0 HD13 LEU A 24 15.391 -4.565 -5.826 1.00 65.24 H new ATOM 0 HD21 LEU A 24 17.524 -5.968 -7.539 1.00 2.33 H new ATOM 0 HD22 LEU A 24 16.059 -6.747 -6.894 1.00 2.33 H new ATOM 0 HD23 LEU A 24 16.395 -6.793 -8.641 1.00 2.33 H new ATOM 174 N ARG A 25 13.278 -7.998 -8.267 1.00 15.34 N ATOM 175 CA ARG A 25 13.471 -9.393 -7.898 1.00 63.23 C ATOM 176 C ARG A 25 12.995 -10.351 -9.001 1.00 34.43 C ATOM 177 O ARG A 25 13.696 -11.322 -9.317 1.00 73.33 O ATOM 178 CB ARG A 25 12.771 -9.715 -6.578 1.00 51.25 C ATOM 179 CG ARG A 25 11.309 -9.590 -6.665 1.00 15.22 C ATOM 180 CD ARG A 25 10.587 -10.064 -5.455 1.00 34.02 C ATOM 181 NE ARG A 25 9.204 -10.119 -5.821 1.00 74.02 N ATOM 182 CZ ARG A 25 8.232 -9.474 -5.257 1.00 73.22 C ATOM 183 NH1 ARG A 25 8.351 -9.008 -4.007 1.00 2.50 N ATOM 184 NH2 ARG A 25 7.108 -9.316 -5.937 1.00 52.23 N ATOM 0 H ARG A 25 12.574 -7.510 -7.713 1.00 15.34 H new ATOM 0 HA ARG A 25 14.543 -9.541 -7.770 1.00 63.23 H new ATOM 0 HB2 ARG A 25 13.027 -10.730 -6.274 1.00 51.25 H new ATOM 0 HB3 ARG A 25 13.143 -9.046 -5.802 1.00 51.25 H new ATOM 0 HG2 ARG A 25 11.054 -8.545 -6.841 1.00 15.22 H new ATOM 0 HG3 ARG A 25 10.957 -10.154 -7.529 1.00 15.22 H new ATOM 0 HD2 ARG A 25 10.948 -11.044 -5.143 1.00 34.02 H new ATOM 0 HD3 ARG A 25 10.743 -9.386 -4.616 1.00 34.02 H new ATOM 0 HE ARG A 25 8.960 -10.726 -6.603 1.00 74.02 H new ATOM 0 HH11 ARG A 25 9.215 -9.159 -3.486 1.00 2.50 H new ATOM 0 HH12 ARG A 25 7.578 -8.502 -3.576 1.00 2.50 H new ATOM 0 HH21 ARG A 25 7.024 -9.698 -6.879 1.00 52.23 H new ATOM 0 HH22 ARG A 25 6.325 -8.813 -5.519 1.00 52.23 H new ATOM 198 N GLU A 26 11.833 -10.054 -9.603 1.00 52.14 N ATOM 199 CA GLU A 26 11.263 -10.883 -10.648 1.00 25.12 C ATOM 200 C GLU A 26 12.198 -11.034 -11.836 1.00 13.40 C ATOM 201 O GLU A 26 12.276 -12.095 -12.436 1.00 11.35 O ATOM 202 CB GLU A 26 9.887 -10.374 -11.085 1.00 54.42 C ATOM 203 CG GLU A 26 8.711 -11.094 -10.402 1.00 24.25 C ATOM 204 CD GLU A 26 8.603 -10.905 -8.892 1.00 31.42 C ATOM 205 OE1 GLU A 26 9.417 -11.474 -8.156 1.00 2.23 O ATOM 206 OE2 GLU A 26 7.681 -10.200 -8.419 1.00 33.15 O ATOM 0 H GLU A 26 11.273 -9.233 -9.372 1.00 52.14 H new ATOM 0 HA GLU A 26 11.128 -11.876 -10.220 1.00 25.12 H new ATOM 0 HB2 GLU A 26 9.820 -9.307 -10.872 1.00 54.42 H new ATOM 0 HB3 GLU A 26 9.794 -10.490 -12.165 1.00 54.42 H new ATOM 0 HG2 GLU A 26 7.784 -10.749 -10.859 1.00 24.25 H new ATOM 0 HG3 GLU A 26 8.792 -12.161 -10.611 1.00 24.25 H new ATOM 213 N ARG A 27 12.948 -9.985 -12.137 1.00 4.25 N ATOM 214 CA ARG A 27 13.894 -10.028 -13.236 1.00 50.14 C ATOM 215 C ARG A 27 15.148 -10.795 -12.894 1.00 63.53 C ATOM 216 O ARG A 27 15.774 -11.393 -13.762 1.00 64.45 O ATOM 217 CB ARG A 27 14.201 -8.657 -13.745 1.00 72.34 C ATOM 218 CG ARG A 27 12.998 -8.040 -14.409 1.00 62.44 C ATOM 219 CD ARG A 27 13.342 -6.743 -15.039 1.00 53.11 C ATOM 220 NE ARG A 27 13.854 -5.792 -14.049 1.00 3.41 N ATOM 221 CZ ARG A 27 13.262 -4.652 -13.693 1.00 25.14 C ATOM 222 NH1 ARG A 27 12.115 -4.264 -14.278 1.00 31.52 N ATOM 223 NH2 ARG A 27 13.814 -3.907 -12.749 1.00 55.52 N ATOM 0 H ARG A 27 12.919 -9.097 -11.636 1.00 4.25 H new ATOM 0 HA ARG A 27 13.412 -10.579 -14.044 1.00 50.14 H new ATOM 0 HB2 ARG A 27 14.528 -8.025 -12.920 1.00 72.34 H new ATOM 0 HB3 ARG A 27 15.026 -8.706 -14.455 1.00 72.34 H new ATOM 0 HG2 ARG A 27 12.606 -8.722 -15.164 1.00 62.44 H new ATOM 0 HG3 ARG A 27 12.208 -7.892 -13.672 1.00 62.44 H new ATOM 0 HD2 ARG A 27 14.090 -6.900 -15.816 1.00 53.11 H new ATOM 0 HD3 ARG A 27 12.460 -6.326 -15.525 1.00 53.11 H new ATOM 0 HE ARG A 27 14.738 -6.022 -13.594 1.00 3.41 H new ATOM 0 HH11 ARG A 27 11.690 -4.844 -15.001 1.00 31.52 H new ATOM 0 HH12 ARG A 27 11.670 -3.390 -13.998 1.00 31.52 H new ATOM 0 HH21 ARG A 27 14.681 -4.208 -12.304 1.00 55.52 H new ATOM 0 HH22 ARG A 27 13.372 -3.032 -12.466 1.00 55.52 H new ATOM 237 N LEU A 28 15.501 -10.814 -11.628 1.00 30.00 N ATOM 238 CA LEU A 28 16.641 -11.596 -11.187 1.00 45.13 C ATOM 239 C LEU A 28 16.318 -13.053 -11.270 1.00 14.22 C ATOM 240 O LEU A 28 17.121 -13.849 -11.730 1.00 4.42 O ATOM 241 CB LEU A 28 17.092 -11.192 -9.789 1.00 50.22 C ATOM 242 CG LEU A 28 17.860 -9.888 -9.737 1.00 44.11 C ATOM 243 CD1 LEU A 28 18.118 -9.453 -8.309 1.00 50.02 C ATOM 244 CD2 LEU A 28 19.170 -10.051 -10.490 1.00 64.22 C ATOM 0 H LEU A 28 15.021 -10.302 -10.888 1.00 30.00 H new ATOM 0 HA LEU A 28 17.481 -11.393 -11.851 1.00 45.13 H new ATOM 0 HB2 LEU A 28 16.216 -11.110 -9.146 1.00 50.22 H new ATOM 0 HB3 LEU A 28 17.716 -11.985 -9.377 1.00 50.22 H new ATOM 0 HG LEU A 28 17.260 -9.110 -10.209 1.00 44.11 H new ATOM 0 HD11 LEU A 28 18.671 -8.514 -8.309 1.00 50.02 H new ATOM 0 HD12 LEU A 28 17.168 -9.314 -7.794 1.00 50.02 H new ATOM 0 HD13 LEU A 28 18.701 -10.217 -7.796 1.00 50.02 H new ATOM 0 HD21 LEU A 28 19.728 -9.115 -10.456 1.00 64.22 H new ATOM 0 HD22 LEU A 28 19.760 -10.842 -10.027 1.00 64.22 H new ATOM 0 HD23 LEU A 28 18.963 -10.313 -11.528 1.00 64.22 H new ATOM 256 N ILE A 29 15.117 -13.381 -10.869 1.00 25.31 N ATOM 257 CA ILE A 29 14.576 -14.728 -10.962 1.00 14.42 C ATOM 258 C ILE A 29 14.679 -15.319 -12.373 1.00 62.22 C ATOM 259 O ILE A 29 14.854 -16.527 -12.529 1.00 44.02 O ATOM 260 CB ILE A 29 13.116 -14.732 -10.417 1.00 43.20 C ATOM 261 CG1 ILE A 29 13.111 -15.232 -8.996 1.00 73.25 C ATOM 262 CG2 ILE A 29 12.114 -15.491 -11.280 1.00 30.41 C ATOM 263 CD1 ILE A 29 14.013 -14.468 -8.082 1.00 23.24 C ATOM 0 H ILE A 29 14.467 -12.710 -10.459 1.00 25.31 H new ATOM 0 HA ILE A 29 15.185 -15.386 -10.342 1.00 14.42 H new ATOM 0 HB ILE A 29 12.771 -13.699 -10.451 1.00 43.20 H new ATOM 0 HG12 ILE A 29 12.093 -15.185 -8.608 1.00 73.25 H new ATOM 0 HG13 ILE A 29 13.407 -16.281 -8.989 1.00 73.25 H new ATOM 0 HG21 ILE A 29 11.126 -15.439 -10.822 1.00 30.41 H new ATOM 0 HG22 ILE A 29 12.077 -15.044 -12.273 1.00 30.41 H new ATOM 0 HG23 ILE A 29 12.421 -16.534 -11.363 1.00 30.41 H new ATOM 0 HD11 ILE A 29 13.954 -14.888 -7.078 1.00 23.24 H new ATOM 0 HD12 ILE A 29 15.039 -14.535 -8.444 1.00 23.24 H new ATOM 0 HD13 ILE A 29 13.705 -13.423 -8.057 1.00 23.24 H new ATOM 275 N GLN A 30 14.643 -14.459 -13.371 1.00 71.13 N ATOM 276 CA GLN A 30 14.718 -14.885 -14.754 1.00 34.43 C ATOM 277 C GLN A 30 16.113 -15.393 -15.062 1.00 51.10 C ATOM 278 O GLN A 30 16.278 -16.454 -15.646 1.00 62.44 O ATOM 279 CB GLN A 30 14.382 -13.730 -15.680 1.00 1.42 C ATOM 280 CG GLN A 30 13.160 -12.968 -15.242 1.00 44.02 C ATOM 281 CD GLN A 30 12.710 -11.933 -16.255 1.00 2.12 C ATOM 282 OE1 GLN A 30 13.125 -10.786 -16.225 1.00 0.53 O ATOM 283 NE2 GLN A 30 11.852 -12.334 -17.161 1.00 64.50 N ATOM 0 H GLN A 30 14.561 -13.450 -13.247 1.00 71.13 H new ATOM 0 HA GLN A 30 13.997 -15.687 -14.911 1.00 34.43 H new ATOM 0 HB2 GLN A 30 15.232 -13.049 -15.727 1.00 1.42 H new ATOM 0 HB3 GLN A 30 14.224 -14.113 -16.688 1.00 1.42 H new ATOM 0 HG2 GLN A 30 12.346 -13.670 -15.063 1.00 44.02 H new ATOM 0 HG3 GLN A 30 13.368 -12.473 -14.294 1.00 44.02 H new ATOM 0 HE21 GLN A 30 11.523 -13.300 -17.160 1.00 64.50 H new ATOM 0 HE22 GLN A 30 11.513 -11.680 -17.867 1.00 64.50 H new ATOM 292 N GLU A 31 17.114 -14.639 -14.629 1.00 41.12 N ATOM 293 CA GLU A 31 18.508 -15.010 -14.869 1.00 70.11 C ATOM 294 C GLU A 31 18.883 -16.191 -13.987 1.00 72.05 C ATOM 295 O GLU A 31 19.663 -17.061 -14.374 1.00 54.00 O ATOM 296 CB GLU A 31 19.454 -13.840 -14.562 1.00 21.23 C ATOM 297 CG GLU A 31 19.066 -12.536 -15.224 1.00 54.52 C ATOM 298 CD GLU A 31 20.105 -11.452 -15.047 1.00 0.21 C ATOM 299 OE1 GLU A 31 20.303 -10.975 -13.932 1.00 13.53 O ATOM 300 OE2 GLU A 31 20.743 -11.028 -16.044 1.00 61.33 O ATOM 0 H GLU A 31 16.991 -13.769 -14.111 1.00 41.12 H new ATOM 0 HA GLU A 31 18.609 -15.277 -15.921 1.00 70.11 H new ATOM 0 HB2 GLU A 31 19.489 -13.690 -13.483 1.00 21.23 H new ATOM 0 HB3 GLU A 31 20.461 -14.110 -14.879 1.00 21.23 H new ATOM 0 HG2 GLU A 31 18.907 -12.709 -16.288 1.00 54.52 H new ATOM 0 HG3 GLU A 31 18.117 -12.193 -14.811 1.00 54.52 H new ATOM 307 N LEU A 32 18.295 -16.219 -12.808 1.00 35.04 N ATOM 308 CA LEU A 32 18.576 -17.230 -11.833 1.00 43.41 C ATOM 309 C LEU A 32 17.864 -18.550 -12.136 1.00 43.14 C ATOM 310 O LEU A 32 18.227 -19.577 -11.571 1.00 1.43 O ATOM 311 CB LEU A 32 18.212 -16.724 -10.429 1.00 51.10 C ATOM 312 CG LEU A 32 18.934 -15.450 -9.980 1.00 33.31 C ATOM 313 CD1 LEU A 32 18.532 -15.048 -8.576 1.00 11.31 C ATOM 314 CD2 LEU A 32 20.442 -15.579 -10.104 1.00 75.00 C ATOM 0 H LEU A 32 17.605 -15.531 -12.506 1.00 35.04 H new ATOM 0 HA LEU A 32 19.646 -17.435 -11.875 1.00 43.41 H new ATOM 0 HB2 LEU A 32 17.138 -16.543 -10.394 1.00 51.10 H new ATOM 0 HB3 LEU A 32 18.426 -17.515 -9.710 1.00 51.10 H new ATOM 0 HG LEU A 32 18.621 -14.654 -10.655 1.00 33.31 H new ATOM 0 HD11 LEU A 32 19.064 -14.140 -8.291 1.00 11.31 H new ATOM 0 HD12 LEU A 32 17.458 -14.865 -8.543 1.00 11.31 H new ATOM 0 HD13 LEU A 32 18.784 -15.849 -7.882 1.00 11.31 H new ATOM 0 HD21 LEU A 32 20.915 -14.653 -9.775 1.00 75.00 H new ATOM 0 HD22 LEU A 32 20.789 -16.404 -9.482 1.00 75.00 H new ATOM 0 HD23 LEU A 32 20.706 -15.772 -11.144 1.00 75.00 H new ATOM 326 N ASN A 33 16.856 -18.507 -13.043 1.00 51.42 N ATOM 327 CA ASN A 33 16.030 -19.701 -13.411 1.00 51.04 C ATOM 328 C ASN A 33 15.341 -20.232 -12.165 1.00 12.03 C ATOM 329 O ASN A 33 15.125 -21.433 -11.991 1.00 61.41 O ATOM 330 CB ASN A 33 16.888 -20.802 -14.079 1.00 22.21 C ATOM 331 CG ASN A 33 17.398 -20.419 -15.459 1.00 24.54 C ATOM 332 OD1 ASN A 33 16.761 -20.698 -16.469 1.00 52.50 O ATOM 333 ND2 ASN A 33 18.537 -19.771 -15.518 1.00 33.23 N ATOM 0 H ASN A 33 16.589 -17.657 -13.539 1.00 51.42 H new ATOM 0 HA ASN A 33 15.279 -19.398 -14.141 1.00 51.04 H new ATOM 0 HB2 ASN A 33 17.738 -21.029 -13.436 1.00 22.21 H new ATOM 0 HB3 ASN A 33 16.297 -21.714 -14.159 1.00 22.21 H new ATOM 0 HD21 ASN A 33 18.915 -19.485 -16.421 1.00 33.23 H new ATOM 0 HD22 ASN A 33 19.045 -19.553 -14.661 1.00 33.23 H new ATOM 340 N LEU A 34 14.933 -19.304 -11.352 1.00 24.10 N ATOM 341 CA LEU A 34 14.408 -19.566 -10.050 1.00 1.34 C ATOM 342 C LEU A 34 12.974 -19.033 -9.987 1.00 34.11 C ATOM 343 O LEU A 34 12.457 -18.534 -10.975 1.00 61.24 O ATOM 344 CB LEU A 34 15.307 -18.788 -9.080 1.00 23.21 C ATOM 345 CG LEU A 34 15.124 -18.971 -7.589 1.00 51.32 C ATOM 346 CD1 LEU A 34 15.513 -20.379 -7.172 1.00 52.54 C ATOM 347 CD2 LEU A 34 15.952 -17.932 -6.866 1.00 33.22 C ATOM 0 H LEU A 34 14.958 -18.312 -11.587 1.00 24.10 H new ATOM 0 HA LEU A 34 14.391 -20.628 -9.806 1.00 1.34 H new ATOM 0 HB2 LEU A 34 16.340 -19.042 -9.316 1.00 23.21 H new ATOM 0 HB3 LEU A 34 15.182 -17.727 -9.297 1.00 23.21 H new ATOM 0 HG LEU A 34 14.075 -18.836 -7.325 1.00 51.32 H new ATOM 0 HD11 LEU A 34 15.375 -20.491 -6.097 1.00 52.54 H new ATOM 0 HD12 LEU A 34 14.886 -21.100 -7.696 1.00 52.54 H new ATOM 0 HD13 LEU A 34 16.558 -20.557 -7.424 1.00 52.54 H new ATOM 0 HD21 LEU A 34 15.829 -18.053 -5.790 1.00 33.22 H new ATOM 0 HD22 LEU A 34 17.003 -18.058 -7.127 1.00 33.22 H new ATOM 0 HD23 LEU A 34 15.622 -16.935 -7.159 1.00 33.22 H new ATOM 359 N THR A 35 12.339 -19.168 -8.855 1.00 4.12 N ATOM 360 CA THR A 35 11.065 -18.571 -8.620 1.00 73.33 C ATOM 361 C THR A 35 11.251 -17.567 -7.481 1.00 32.21 C ATOM 362 O THR A 35 12.132 -17.768 -6.637 1.00 31.12 O ATOM 363 CB THR A 35 10.004 -19.638 -8.270 1.00 62.45 C ATOM 364 OG1 THR A 35 10.538 -20.547 -7.309 1.00 65.21 O ATOM 365 CG2 THR A 35 9.569 -20.405 -9.512 1.00 43.01 C ATOM 0 H THR A 35 12.701 -19.703 -8.065 1.00 4.12 H new ATOM 0 HA THR A 35 10.701 -18.068 -9.516 1.00 73.33 H new ATOM 0 HB THR A 35 9.132 -19.132 -7.856 1.00 62.45 H new ATOM 0 HG1 THR A 35 9.863 -21.222 -7.087 1.00 65.21 H new ATOM 0 HG21 THR A 35 8.822 -21.149 -9.237 1.00 43.01 H new ATOM 0 HG22 THR A 35 9.141 -19.712 -10.236 1.00 43.01 H new ATOM 0 HG23 THR A 35 10.432 -20.903 -9.953 1.00 43.01 H new ATOM 373 N PRO A 36 10.478 -16.462 -7.439 1.00 13.04 N ATOM 374 CA PRO A 36 10.673 -15.391 -6.432 1.00 2.41 C ATOM 375 C PRO A 36 10.527 -15.888 -4.996 1.00 31.42 C ATOM 376 O PRO A 36 11.129 -15.363 -4.075 1.00 1.31 O ATOM 377 CB PRO A 36 9.582 -14.375 -6.760 1.00 52.10 C ATOM 378 CG PRO A 36 9.167 -14.677 -8.164 1.00 60.14 C ATOM 379 CD PRO A 36 9.370 -16.146 -8.361 1.00 34.24 C ATOM 0 HA PRO A 36 11.682 -14.982 -6.482 1.00 2.41 H new ATOM 0 HB2 PRO A 36 8.741 -14.467 -6.073 1.00 52.10 H new ATOM 0 HB3 PRO A 36 9.956 -13.355 -6.672 1.00 52.10 H new ATOM 0 HG2 PRO A 36 8.124 -14.404 -8.327 1.00 60.14 H new ATOM 0 HG3 PRO A 36 9.762 -14.104 -8.876 1.00 60.14 H new ATOM 0 HD2 PRO A 36 8.471 -16.712 -8.118 1.00 34.24 H new ATOM 0 HD3 PRO A 36 9.626 -16.382 -9.394 1.00 34.24 H new ATOM 387 N GLN A 37 9.771 -16.944 -4.843 1.00 13.42 N ATOM 388 CA GLN A 37 9.495 -17.541 -3.551 1.00 4.31 C ATOM 389 C GLN A 37 10.616 -18.497 -3.146 1.00 42.21 C ATOM 390 O GLN A 37 10.534 -19.153 -2.112 1.00 75.02 O ATOM 391 CB GLN A 37 8.146 -18.305 -3.561 1.00 4.12 C ATOM 392 CG GLN A 37 6.888 -17.458 -3.837 1.00 72.30 C ATOM 393 CD GLN A 37 6.809 -16.908 -5.257 1.00 73.13 C ATOM 394 OE1 GLN A 37 7.314 -17.509 -6.203 1.00 41.10 O ATOM 395 NE2 GLN A 37 6.188 -15.768 -5.411 1.00 53.00 N ATOM 0 H GLN A 37 9.320 -17.425 -5.621 1.00 13.42 H new ATOM 0 HA GLN A 37 9.433 -16.730 -2.825 1.00 4.31 H new ATOM 0 HB2 GLN A 37 8.202 -19.091 -4.314 1.00 4.12 H new ATOM 0 HB3 GLN A 37 8.023 -18.797 -2.596 1.00 4.12 H new ATOM 0 HG2 GLN A 37 6.004 -18.066 -3.644 1.00 72.30 H new ATOM 0 HG3 GLN A 37 6.862 -16.625 -3.134 1.00 72.30 H new ATOM 0 HE21 GLN A 37 5.780 -15.296 -4.604 1.00 53.00 H new ATOM 0 HE22 GLN A 37 6.111 -15.350 -6.338 1.00 53.00 H new ATOM 404 N GLN A 38 11.633 -18.607 -3.982 1.00 70.12 N ATOM 405 CA GLN A 38 12.768 -19.463 -3.700 1.00 14.41 C ATOM 406 C GLN A 38 14.058 -18.672 -3.652 1.00 34.54 C ATOM 407 O GLN A 38 15.144 -19.241 -3.703 1.00 70.54 O ATOM 408 CB GLN A 38 12.857 -20.600 -4.721 1.00 23.55 C ATOM 409 CG GLN A 38 11.727 -21.614 -4.595 1.00 4.22 C ATOM 410 CD GLN A 38 11.791 -22.418 -3.303 1.00 43.32 C ATOM 411 OE1 GLN A 38 12.384 -23.483 -3.258 1.00 24.45 O ATOM 412 NE2 GLN A 38 11.216 -21.902 -2.244 1.00 65.53 N ATOM 0 H GLN A 38 11.694 -18.108 -4.870 1.00 70.12 H new ATOM 0 HA GLN A 38 12.617 -19.903 -2.714 1.00 14.41 H new ATOM 0 HB2 GLN A 38 12.847 -20.178 -5.726 1.00 23.55 H new ATOM 0 HB3 GLN A 38 13.811 -21.113 -4.601 1.00 23.55 H new ATOM 0 HG2 GLN A 38 10.771 -21.093 -4.645 1.00 4.22 H new ATOM 0 HG3 GLN A 38 11.763 -22.297 -5.444 1.00 4.22 H new ATOM 0 HE21 GLN A 38 10.727 -21.009 -2.313 1.00 65.53 H new ATOM 0 HE22 GLN A 38 11.257 -22.393 -1.351 1.00 65.53 H new ATOM 421 N LEU A 39 13.952 -17.361 -3.552 1.00 42.44 N ATOM 422 CA LEU A 39 15.140 -16.572 -3.398 1.00 42.44 C ATOM 423 C LEU A 39 15.291 -16.299 -1.926 1.00 22.20 C ATOM 424 O LEU A 39 14.313 -16.377 -1.177 1.00 71.54 O ATOM 425 CB LEU A 39 15.134 -15.259 -4.264 1.00 11.42 C ATOM 426 CG LEU A 39 14.393 -13.999 -3.746 1.00 4.23 C ATOM 427 CD1 LEU A 39 15.225 -13.271 -2.662 1.00 32.12 C ATOM 428 CD2 LEU A 39 14.123 -13.042 -4.899 1.00 73.53 C ATOM 0 H LEU A 39 13.076 -16.838 -3.575 1.00 42.44 H new ATOM 0 HA LEU A 39 16.002 -17.121 -3.776 1.00 42.44 H new ATOM 0 HB2 LEU A 39 16.173 -14.978 -4.436 1.00 11.42 H new ATOM 0 HB3 LEU A 39 14.707 -15.511 -5.235 1.00 11.42 H new ATOM 0 HG LEU A 39 13.450 -14.321 -3.305 1.00 4.23 H new ATOM 0 HD11 LEU A 39 14.682 -12.391 -2.316 1.00 32.12 H new ATOM 0 HD12 LEU A 39 15.397 -13.944 -1.822 1.00 32.12 H new ATOM 0 HD13 LEU A 39 16.182 -12.964 -3.083 1.00 32.12 H new ATOM 0 HD21 LEU A 39 13.602 -12.160 -4.526 1.00 73.53 H new ATOM 0 HD22 LEU A 39 15.068 -12.741 -5.351 1.00 73.53 H new ATOM 0 HD23 LEU A 39 13.505 -13.539 -5.647 1.00 73.53 H new ATOM 440 N HIS A 40 16.465 -15.981 -1.512 1.00 44.12 N ATOM 441 CA HIS A 40 16.711 -15.764 -0.127 1.00 63.33 C ATOM 442 C HIS A 40 16.713 -14.300 0.265 1.00 30.44 C ATOM 443 O HIS A 40 17.578 -13.532 -0.162 1.00 73.40 O ATOM 444 CB HIS A 40 17.993 -16.396 0.288 1.00 5.20 C ATOM 445 CG HIS A 40 17.964 -17.898 0.338 1.00 14.11 C ATOM 446 ND1 HIS A 40 17.741 -18.611 1.492 1.00 25.33 N ATOM 447 CD2 HIS A 40 18.161 -18.819 -0.637 1.00 72.43 C ATOM 448 CE1 HIS A 40 17.807 -19.906 1.202 1.00 63.42 C ATOM 449 NE2 HIS A 40 18.061 -20.094 -0.084 1.00 24.04 N ATOM 0 H HIS A 40 17.278 -15.864 -2.116 1.00 44.12 H new ATOM 0 HA HIS A 40 15.879 -16.233 0.398 1.00 63.33 H new ATOM 0 HB2 HIS A 40 18.777 -16.084 -0.402 1.00 5.20 H new ATOM 0 HB3 HIS A 40 18.267 -16.018 1.273 1.00 5.20 H new ATOM 0 HD1 HIS A 40 17.556 -18.214 2.413 1.00 25.33 H new ATOM 0 HD2 HIS A 40 18.363 -18.600 -1.675 1.00 72.43 H new ATOM 0 HE1 HIS A 40 17.671 -20.701 1.921 1.00 63.42 H new ATOM 457 N GLU A 41 15.724 -13.927 1.050 1.00 42.21 N ATOM 458 CA GLU A 41 15.610 -12.585 1.608 1.00 75.20 C ATOM 459 C GLU A 41 16.417 -12.456 2.898 1.00 45.13 C ATOM 460 O GLU A 41 16.681 -11.353 3.385 1.00 51.30 O ATOM 461 CB GLU A 41 14.141 -12.204 1.823 1.00 54.33 C ATOM 462 CG GLU A 41 13.386 -11.922 0.525 1.00 41.14 C ATOM 463 CD GLU A 41 13.860 -10.645 -0.164 1.00 50.40 C ATOM 464 OE1 GLU A 41 15.092 -10.370 -0.167 1.00 3.40 O ATOM 465 OE2 GLU A 41 13.002 -9.873 -0.665 1.00 31.11 O ATOM 0 H GLU A 41 14.965 -14.550 1.325 1.00 42.21 H new ATOM 0 HA GLU A 41 16.030 -11.883 0.888 1.00 75.20 H new ATOM 0 HB2 GLU A 41 13.639 -13.011 2.357 1.00 54.33 H new ATOM 0 HB3 GLU A 41 14.093 -11.321 2.461 1.00 54.33 H new ATOM 0 HG2 GLU A 41 13.511 -12.765 -0.154 1.00 41.14 H new ATOM 0 HG3 GLU A 41 12.320 -11.841 0.739 1.00 41.14 H new ATOM 472 N GLU A 42 16.767 -13.587 3.457 1.00 23.55 N ATOM 473 CA GLU A 42 17.593 -13.658 4.647 1.00 72.21 C ATOM 474 C GLU A 42 19.049 -13.956 4.295 1.00 31.12 C ATOM 475 O GLU A 42 19.973 -13.454 4.941 1.00 33.31 O ATOM 476 CB GLU A 42 17.051 -14.674 5.710 1.00 4.01 C ATOM 477 CG GLU A 42 16.211 -15.866 5.184 1.00 30.23 C ATOM 478 CD GLU A 42 16.786 -16.547 3.966 1.00 21.44 C ATOM 479 OE1 GLU A 42 17.686 -17.387 4.075 1.00 72.44 O ATOM 480 OE2 GLU A 42 16.367 -16.189 2.871 1.00 52.12 O ATOM 0 H GLU A 42 16.485 -14.499 3.098 1.00 23.55 H new ATOM 0 HA GLU A 42 17.546 -12.672 5.109 1.00 72.21 H new ATOM 0 HB2 GLU A 42 17.903 -15.076 6.258 1.00 4.01 H new ATOM 0 HB3 GLU A 42 16.443 -14.122 6.426 1.00 4.01 H new ATOM 0 HG2 GLU A 42 16.108 -16.602 5.982 1.00 30.23 H new ATOM 0 HG3 GLU A 42 15.208 -15.511 4.947 1.00 30.23 H new ATOM 487 N SER A 43 19.245 -14.755 3.275 1.00 41.32 N ATOM 488 CA SER A 43 20.567 -15.104 2.845 1.00 51.33 C ATOM 489 C SER A 43 21.145 -14.058 1.918 1.00 60.14 C ATOM 490 O SER A 43 20.443 -13.207 1.395 1.00 63.53 O ATOM 491 CB SER A 43 20.585 -16.459 2.182 1.00 34.33 C ATOM 492 OG SER A 43 20.213 -17.480 3.097 1.00 22.53 O ATOM 0 H SER A 43 18.496 -15.176 2.726 1.00 41.32 H new ATOM 0 HA SER A 43 21.193 -15.148 3.736 1.00 51.33 H new ATOM 0 HB2 SER A 43 19.902 -16.461 1.333 1.00 34.33 H new ATOM 0 HB3 SER A 43 21.582 -16.663 1.790 1.00 34.33 H new ATOM 0 HG SER A 43 19.334 -17.273 3.478 1.00 22.53 H new ATOM 498 N ASN A 44 22.420 -14.166 1.691 1.00 14.14 N ATOM 499 CA ASN A 44 23.145 -13.187 0.932 1.00 4.20 C ATOM 500 C ASN A 44 22.979 -13.428 -0.561 1.00 74.54 C ATOM 501 O ASN A 44 23.201 -14.535 -1.043 1.00 5.01 O ATOM 502 CB ASN A 44 24.618 -13.239 1.313 1.00 61.33 C ATOM 503 CG ASN A 44 25.412 -12.077 0.788 1.00 3.42 C ATOM 504 OD1 ASN A 44 25.850 -12.080 -0.337 1.00 72.40 O ATOM 505 ND2 ASN A 44 25.648 -11.102 1.622 1.00 75.24 N ATOM 0 H ASN A 44 22.992 -14.940 2.029 1.00 14.14 H new ATOM 0 HA ASN A 44 22.746 -12.199 1.161 1.00 4.20 H new ATOM 0 HB2 ASN A 44 24.704 -13.267 2.399 1.00 61.33 H new ATOM 0 HB3 ASN A 44 25.051 -14.165 0.935 1.00 61.33 H new ATOM 0 HD21 ASN A 44 26.219 -10.309 1.331 1.00 75.24 H new ATOM 0 HD22 ASN A 44 25.261 -11.133 2.565 1.00 75.24 H new ATOM 512 N LEU A 45 22.613 -12.386 -1.280 1.00 0.32 N ATOM 513 CA LEU A 45 22.389 -12.469 -2.721 1.00 60.22 C ATOM 514 C LEU A 45 23.664 -12.722 -3.526 1.00 55.51 C ATOM 515 O LEU A 45 23.592 -13.228 -4.632 1.00 31.21 O ATOM 516 CB LEU A 45 21.706 -11.216 -3.255 1.00 35.24 C ATOM 517 CG LEU A 45 20.328 -10.886 -2.694 1.00 73.43 C ATOM 518 CD1 LEU A 45 19.819 -9.607 -3.316 1.00 31.24 C ATOM 519 CD2 LEU A 45 19.344 -12.025 -2.940 1.00 24.33 C ATOM 0 H LEU A 45 22.461 -11.456 -0.889 1.00 0.32 H new ATOM 0 HA LEU A 45 21.737 -13.332 -2.854 1.00 60.22 H new ATOM 0 HB2 LEU A 45 22.361 -10.366 -3.065 1.00 35.24 H new ATOM 0 HB3 LEU A 45 21.617 -11.314 -4.337 1.00 35.24 H new ATOM 0 HG LEU A 45 20.417 -10.752 -1.616 1.00 73.43 H new ATOM 0 HD11 LEU A 45 18.834 -9.374 -2.913 1.00 31.24 H new ATOM 0 HD12 LEU A 45 20.507 -8.793 -3.088 1.00 31.24 H new ATOM 0 HD13 LEU A 45 19.749 -9.731 -4.397 1.00 31.24 H new ATOM 0 HD21 LEU A 45 18.370 -11.760 -2.528 1.00 24.33 H new ATOM 0 HD22 LEU A 45 19.250 -12.199 -4.012 1.00 24.33 H new ATOM 0 HD23 LEU A 45 19.708 -12.931 -2.456 1.00 24.33 H new ATOM 531 N ILE A 46 24.826 -12.403 -2.969 1.00 34.52 N ATOM 532 CA ILE A 46 26.083 -12.576 -3.712 1.00 63.44 C ATOM 533 C ILE A 46 26.464 -14.071 -3.702 1.00 21.43 C ATOM 534 O ILE A 46 27.335 -14.519 -4.429 1.00 43.24 O ATOM 535 CB ILE A 46 27.257 -11.706 -3.120 1.00 13.23 C ATOM 536 CG1 ILE A 46 26.805 -10.247 -2.846 1.00 70.31 C ATOM 537 CG2 ILE A 46 28.467 -11.696 -4.066 1.00 71.03 C ATOM 538 CD1 ILE A 46 26.308 -9.480 -4.059 1.00 31.50 C ATOM 0 H ILE A 46 24.932 -12.030 -2.025 1.00 34.52 H new ATOM 0 HA ILE A 46 25.926 -12.231 -4.734 1.00 63.44 H new ATOM 0 HB ILE A 46 27.545 -12.164 -2.174 1.00 13.23 H new ATOM 0 HG12 ILE A 46 26.012 -10.265 -2.099 1.00 70.31 H new ATOM 0 HG13 ILE A 46 27.642 -9.701 -2.410 1.00 70.31 H new ATOM 0 HG21 ILE A 46 29.262 -11.089 -3.633 1.00 71.03 H new ATOM 0 HG22 ILE A 46 28.826 -12.715 -4.209 1.00 71.03 H new ATOM 0 HG23 ILE A 46 28.173 -11.277 -5.028 1.00 71.03 H new ATOM 0 HD11 ILE A 46 26.017 -8.473 -3.759 1.00 31.50 H new ATOM 0 HD12 ILE A 46 27.102 -9.422 -4.803 1.00 31.50 H new ATOM 0 HD13 ILE A 46 25.447 -9.994 -4.487 1.00 31.50 H new ATOM 550 N GLN A 47 25.751 -14.833 -2.876 1.00 41.41 N ATOM 551 CA GLN A 47 25.935 -16.267 -2.800 1.00 13.50 C ATOM 552 C GLN A 47 25.123 -16.956 -3.897 1.00 35.41 C ATOM 553 O GLN A 47 25.200 -18.171 -4.084 1.00 42.41 O ATOM 554 CB GLN A 47 25.530 -16.802 -1.430 1.00 74.42 C ATOM 555 CG GLN A 47 26.370 -16.277 -0.273 1.00 53.01 C ATOM 556 CD GLN A 47 27.842 -16.632 -0.394 1.00 2.11 C ATOM 557 OE1 GLN A 47 28.627 -15.889 -0.946 1.00 25.40 O ATOM 558 NE2 GLN A 47 28.217 -17.776 0.121 1.00 14.12 N ATOM 0 H GLN A 47 25.035 -14.470 -2.247 1.00 41.41 H new ATOM 0 HA GLN A 47 26.993 -16.484 -2.947 1.00 13.50 H new ATOM 0 HB2 GLN A 47 24.486 -16.548 -1.249 1.00 74.42 H new ATOM 0 HB3 GLN A 47 25.595 -17.890 -1.445 1.00 74.42 H new ATOM 0 HG2 GLN A 47 26.267 -15.193 -0.220 1.00 53.01 H new ATOM 0 HG3 GLN A 47 25.981 -16.680 0.662 1.00 53.01 H new ATOM 0 HE21 GLN A 47 27.533 -18.378 0.579 1.00 14.12 H new ATOM 0 HE22 GLN A 47 29.194 -18.065 0.065 1.00 14.12 H new ATOM 567 N ALA A 48 24.312 -16.170 -4.584 1.00 61.24 N ATOM 568 CA ALA A 48 23.519 -16.651 -5.683 1.00 53.12 C ATOM 569 C ALA A 48 24.264 -16.349 -6.972 1.00 3.34 C ATOM 570 O ALA A 48 25.337 -15.749 -6.941 1.00 11.50 O ATOM 571 CB ALA A 48 22.142 -15.994 -5.681 1.00 43.23 C ATOM 0 H ALA A 48 24.190 -15.176 -4.388 1.00 61.24 H new ATOM 0 HA ALA A 48 23.364 -17.726 -5.590 1.00 53.12 H new ATOM 0 HB1 ALA A 48 21.558 -16.371 -6.520 1.00 43.23 H new ATOM 0 HB2 ALA A 48 21.629 -16.227 -4.748 1.00 43.23 H new ATOM 0 HB3 ALA A 48 22.254 -14.914 -5.774 1.00 43.23 H new ATOM 577 N GLY A 49 23.708 -16.721 -8.104 1.00 25.43 N ATOM 578 CA GLY A 49 24.429 -16.509 -9.325 1.00 4.02 C ATOM 579 C GLY A 49 24.232 -15.126 -9.889 1.00 32.41 C ATOM 580 O GLY A 49 23.367 -14.905 -10.722 1.00 71.31 O ATOM 0 H GLY A 49 22.791 -17.157 -8.199 1.00 25.43 H new ATOM 0 HA2 GLY A 49 25.491 -16.676 -9.147 1.00 4.02 H new ATOM 0 HA3 GLY A 49 24.110 -17.246 -10.062 1.00 4.02 H new ATOM 584 N LEU A 50 25.048 -14.216 -9.455 1.00 62.02 N ATOM 585 CA LEU A 50 25.065 -12.892 -9.978 1.00 2.15 C ATOM 586 C LEU A 50 26.490 -12.388 -9.977 1.00 72.13 C ATOM 587 O LEU A 50 27.372 -13.051 -9.425 1.00 14.25 O ATOM 588 CB LEU A 50 24.062 -11.947 -9.257 1.00 30.43 C ATOM 589 CG LEU A 50 24.190 -11.720 -7.749 1.00 10.12 C ATOM 590 CD1 LEU A 50 25.288 -10.718 -7.410 1.00 21.13 C ATOM 591 CD2 LEU A 50 22.862 -11.256 -7.210 1.00 42.11 C ATOM 0 H LEU A 50 25.731 -14.379 -8.715 1.00 62.02 H new ATOM 0 HA LEU A 50 24.711 -12.906 -11.009 1.00 2.15 H new ATOM 0 HB2 LEU A 50 24.127 -10.972 -9.740 1.00 30.43 H new ATOM 0 HB3 LEU A 50 23.059 -12.330 -9.445 1.00 30.43 H new ATOM 0 HG LEU A 50 24.473 -12.663 -7.281 1.00 10.12 H new ATOM 0 HD11 LEU A 50 25.342 -10.589 -6.329 1.00 21.13 H new ATOM 0 HD12 LEU A 50 26.245 -11.088 -7.779 1.00 21.13 H new ATOM 0 HD13 LEU A 50 25.064 -9.760 -7.879 1.00 21.13 H new ATOM 0 HD21 LEU A 50 22.943 -11.091 -6.136 1.00 42.11 H new ATOM 0 HD22 LEU A 50 22.576 -10.325 -7.699 1.00 42.11 H new ATOM 0 HD23 LEU A 50 22.105 -12.016 -7.405 1.00 42.11 H new ATOM 603 N ASP A 51 26.714 -11.262 -10.574 1.00 13.31 N ATOM 604 CA ASP A 51 28.043 -10.720 -10.724 1.00 22.43 C ATOM 605 C ASP A 51 28.093 -9.274 -10.238 1.00 34.03 C ATOM 606 O ASP A 51 27.428 -8.910 -9.264 1.00 12.15 O ATOM 607 CB ASP A 51 28.503 -10.844 -12.205 1.00 75.00 C ATOM 608 CG ASP A 51 27.480 -10.328 -13.219 1.00 64.13 C ATOM 609 OD1 ASP A 51 26.990 -9.191 -13.087 1.00 24.41 O ATOM 610 OD2 ASP A 51 27.098 -11.096 -14.132 1.00 45.53 O ATOM 0 H ASP A 51 25.979 -10.681 -10.978 1.00 13.31 H new ATOM 0 HA ASP A 51 28.734 -11.294 -10.106 1.00 22.43 H new ATOM 0 HB2 ASP A 51 29.435 -10.294 -12.333 1.00 75.00 H new ATOM 0 HB3 ASP A 51 28.718 -11.890 -12.422 1.00 75.00 H new ATOM 680 N ILE A 53 28.256 -6.244 -12.585 1.00 51.22 N ATOM 681 CA ILE A 53 27.447 -5.533 -13.558 1.00 3.32 C ATOM 682 C ILE A 53 25.904 -5.739 -13.306 1.00 64.14 C ATOM 683 O ILE A 53 25.115 -4.795 -13.480 1.00 34.05 O ATOM 684 CB ILE A 53 27.894 -5.957 -15.012 1.00 75.35 C ATOM 685 CG1 ILE A 53 27.721 -4.830 -16.028 1.00 50.13 C ATOM 686 CG2 ILE A 53 27.216 -7.234 -15.510 1.00 72.14 C ATOM 687 CD1 ILE A 53 26.292 -4.398 -16.323 1.00 1.21 C ATOM 0 HA ILE A 53 27.613 -4.461 -13.449 1.00 3.32 H new ATOM 0 HB ILE A 53 28.958 -6.174 -14.923 1.00 75.35 H new ATOM 0 HG12 ILE A 53 28.274 -3.961 -15.672 1.00 50.13 H new ATOM 0 HG13 ILE A 53 28.184 -5.140 -16.965 1.00 50.13 H new ATOM 0 HG21 ILE A 53 27.570 -7.466 -16.515 1.00 72.14 H new ATOM 0 HG22 ILE A 53 27.458 -8.059 -14.841 1.00 72.14 H new ATOM 0 HG23 ILE A 53 26.136 -7.088 -15.530 1.00 72.14 H new ATOM 0 HD11 ILE A 53 26.300 -3.593 -17.058 1.00 1.21 H new ATOM 0 HD12 ILE A 53 25.730 -5.244 -16.718 1.00 1.21 H new ATOM 0 HD13 ILE A 53 25.821 -4.047 -15.405 1.00 1.21 H new ATOM 699 N ARG A 54 25.499 -6.950 -12.857 1.00 70.51 N ATOM 700 CA ARG A 54 24.116 -7.235 -12.422 1.00 21.42 C ATOM 701 C ARG A 54 23.639 -6.188 -11.431 1.00 51.21 C ATOM 702 O ARG A 54 22.549 -5.639 -11.585 1.00 55.32 O ATOM 703 CB ARG A 54 24.026 -8.625 -11.767 1.00 44.12 C ATOM 704 CG ARG A 54 23.383 -9.688 -12.641 1.00 45.51 C ATOM 705 CD ARG A 54 24.118 -9.885 -13.947 1.00 23.15 C ATOM 706 NE ARG A 54 23.378 -10.760 -14.852 1.00 64.31 N ATOM 707 CZ ARG A 54 23.920 -11.545 -15.778 1.00 51.33 C ATOM 708 NH1 ARG A 54 25.234 -11.768 -15.803 1.00 30.33 N ATOM 709 NH2 ARG A 54 23.123 -12.144 -16.653 1.00 64.03 N ATOM 0 H ARG A 54 26.123 -7.754 -12.787 1.00 70.51 H new ATOM 0 HA ARG A 54 23.480 -7.212 -13.307 1.00 21.42 H new ATOM 0 HB2 ARG A 54 25.030 -8.952 -11.497 1.00 44.12 H new ATOM 0 HB3 ARG A 54 23.458 -8.541 -10.840 1.00 44.12 H new ATOM 0 HG2 ARG A 54 23.355 -10.632 -12.098 1.00 45.51 H new ATOM 0 HG3 ARG A 54 22.350 -9.408 -12.848 1.00 45.51 H new ATOM 0 HD2 ARG A 54 24.279 -8.918 -14.424 1.00 23.15 H new ATOM 0 HD3 ARG A 54 25.102 -10.311 -13.751 1.00 23.15 H new ATOM 0 HE ARG A 54 22.362 -10.770 -14.767 1.00 64.31 H new ATOM 0 HH11 ARG A 54 25.838 -11.334 -15.105 1.00 30.33 H new ATOM 0 HH12 ARG A 54 25.635 -12.373 -16.520 1.00 30.33 H new ATOM 0 HH21 ARG A 54 22.115 -11.998 -16.607 1.00 64.03 H new ATOM 0 HH22 ARG A 54 23.519 -12.750 -17.371 1.00 64.03 H new ATOM 723 N LEU A 55 24.498 -5.875 -10.480 1.00 43.41 N ATOM 724 CA LEU A 55 24.246 -4.914 -9.422 1.00 10.35 C ATOM 725 C LEU A 55 24.228 -3.508 -9.987 1.00 24.33 C ATOM 726 O LEU A 55 23.383 -2.709 -9.626 1.00 71.00 O ATOM 727 CB LEU A 55 25.341 -5.020 -8.355 1.00 3.15 C ATOM 728 CG LEU A 55 25.396 -6.322 -7.555 1.00 74.25 C ATOM 729 CD1 LEU A 55 26.767 -6.496 -6.957 1.00 50.31 C ATOM 730 CD2 LEU A 55 24.379 -6.284 -6.434 1.00 60.52 C ATOM 0 H LEU A 55 25.424 -6.298 -10.420 1.00 43.41 H new ATOM 0 HA LEU A 55 23.277 -5.131 -8.973 1.00 10.35 H new ATOM 0 HB2 LEU A 55 26.306 -4.879 -8.842 1.00 3.15 H new ATOM 0 HB3 LEU A 55 25.214 -4.195 -7.654 1.00 3.15 H new ATOM 0 HG LEU A 55 25.175 -7.152 -8.225 1.00 74.25 H new ATOM 0 HD11 LEU A 55 26.801 -7.425 -6.388 1.00 50.31 H new ATOM 0 HD12 LEU A 55 27.510 -6.531 -7.754 1.00 50.31 H new ATOM 0 HD13 LEU A 55 26.984 -5.657 -6.295 1.00 50.31 H new ATOM 0 HD21 LEU A 55 24.425 -7.215 -5.869 1.00 60.52 H new ATOM 0 HD22 LEU A 55 24.599 -5.447 -5.772 1.00 60.52 H new ATOM 0 HD23 LEU A 55 23.380 -6.163 -6.853 1.00 60.52 H new ATOM 742 N MET A 56 25.160 -3.221 -10.899 1.00 72.10 N ATOM 743 CA MET A 56 25.263 -1.887 -11.531 1.00 21.03 C ATOM 744 C MET A 56 23.968 -1.520 -12.233 1.00 33.20 C ATOM 745 O MET A 56 23.542 -0.359 -12.206 1.00 52.01 O ATOM 746 CB MET A 56 26.435 -1.798 -12.524 1.00 42.24 C ATOM 747 CG MET A 56 27.858 -1.661 -11.939 1.00 61.42 C ATOM 748 SD MET A 56 28.386 -2.997 -10.838 1.00 23.02 S ATOM 749 CE MET A 56 27.813 -2.444 -9.233 1.00 1.11 C ATOM 0 H MET A 56 25.859 -3.890 -11.222 1.00 72.10 H new ATOM 0 HA MET A 56 25.453 -1.176 -10.727 1.00 21.03 H new ATOM 0 HB2 MET A 56 26.413 -2.690 -13.150 1.00 42.24 H new ATOM 0 HB3 MET A 56 26.257 -0.945 -13.178 1.00 42.24 H new ATOM 0 HG2 MET A 56 28.566 -1.595 -12.765 1.00 61.42 H new ATOM 0 HG3 MET A 56 27.917 -0.720 -11.392 1.00 61.42 H new ATOM 0 HE1 MET A 56 27.750 -3.296 -8.556 1.00 1.11 H new ATOM 0 HE2 MET A 56 28.512 -1.711 -8.830 1.00 1.11 H new ATOM 0 HE3 MET A 56 26.828 -1.989 -9.335 1.00 1.11 H new ATOM 759 N ARG A 57 23.343 -2.528 -12.842 1.00 45.43 N ATOM 760 CA ARG A 57 22.049 -2.377 -13.485 1.00 73.53 C ATOM 761 C ARG A 57 21.026 -1.871 -12.502 1.00 0.45 C ATOM 762 O ARG A 57 20.250 -0.983 -12.803 1.00 34.15 O ATOM 763 CB ARG A 57 21.567 -3.694 -13.966 1.00 65.11 C ATOM 764 CG ARG A 57 22.453 -4.323 -14.985 1.00 14.11 C ATOM 765 CD ARG A 57 21.742 -5.468 -15.568 1.00 12.33 C ATOM 766 NE ARG A 57 21.333 -6.436 -14.524 1.00 4.13 N ATOM 767 CZ ARG A 57 21.000 -7.725 -14.709 1.00 42.13 C ATOM 768 NH1 ARG A 57 21.105 -8.308 -15.907 1.00 62.12 N ATOM 769 NH2 ARG A 57 20.579 -8.433 -13.678 1.00 44.21 N ATOM 0 H ARG A 57 23.725 -3.472 -12.900 1.00 45.43 H new ATOM 0 HA ARG A 57 22.171 -1.675 -14.310 1.00 73.53 H new ATOM 0 HB2 ARG A 57 21.472 -4.368 -13.115 1.00 65.11 H new ATOM 0 HB3 ARG A 57 20.570 -3.573 -14.390 1.00 65.11 H new ATOM 0 HG2 ARG A 57 22.712 -3.602 -15.760 1.00 14.11 H new ATOM 0 HG3 ARG A 57 23.387 -4.649 -14.527 1.00 14.11 H new ATOM 0 HD2 ARG A 57 20.862 -5.116 -16.106 1.00 12.33 H new ATOM 0 HD3 ARG A 57 22.383 -5.965 -16.296 1.00 12.33 H new ATOM 0 HE ARG A 57 21.301 -6.088 -13.566 1.00 4.13 H new ATOM 0 HH11 ARG A 57 21.444 -7.773 -16.707 1.00 62.12 H new ATOM 0 HH12 ARG A 57 20.846 -9.288 -16.022 1.00 62.12 H new ATOM 0 HH21 ARG A 57 20.510 -8.001 -12.757 1.00 44.21 H new ATOM 0 HH22 ARG A 57 20.323 -9.412 -13.802 1.00 44.21 H new ATOM 783 N TRP A 58 21.062 -2.455 -11.307 1.00 44.20 N ATOM 784 CA TRP A 58 20.152 -2.124 -10.241 1.00 21.45 C ATOM 785 C TRP A 58 20.305 -0.693 -9.821 1.00 21.44 C ATOM 786 O TRP A 58 19.317 0.044 -9.805 1.00 23.14 O ATOM 787 CB TRP A 58 20.273 -3.135 -9.090 1.00 41.03 C ATOM 788 CG TRP A 58 20.014 -4.541 -9.570 1.00 10.14 C ATOM 789 CD1 TRP A 58 20.678 -5.664 -9.188 1.00 62.45 C ATOM 790 CD2 TRP A 58 19.036 -4.969 -10.566 1.00 21.14 C ATOM 791 NE1 TRP A 58 20.218 -6.749 -9.888 1.00 42.22 N ATOM 792 CE2 TRP A 58 19.206 -6.341 -10.737 1.00 54.31 C ATOM 793 CE3 TRP A 58 18.036 -4.317 -11.336 1.00 3.54 C ATOM 794 CZ2 TRP A 58 18.441 -7.073 -11.637 1.00 3.11 C ATOM 795 CZ3 TRP A 58 17.283 -5.057 -12.214 1.00 73.33 C ATOM 796 CH2 TRP A 58 17.492 -6.420 -12.361 1.00 42.24 C ATOM 0 H TRP A 58 21.737 -3.179 -11.060 1.00 44.20 H new ATOM 0 HA TRP A 58 19.128 -2.208 -10.605 1.00 21.45 H new ATOM 0 HB2 TRP A 58 21.270 -3.075 -8.653 1.00 41.03 H new ATOM 0 HB3 TRP A 58 19.564 -2.880 -8.303 1.00 41.03 H new ATOM 0 HD1 TRP A 58 21.456 -5.697 -8.440 1.00 62.45 H new ATOM 0 HE1 TRP A 58 20.566 -7.703 -9.797 1.00 42.22 H new ATOM 0 HE3 TRP A 58 17.870 -3.255 -11.232 1.00 3.54 H new ATOM 0 HZ2 TRP A 58 18.596 -8.135 -11.759 1.00 3.11 H new ATOM 0 HZ3 TRP A 58 16.517 -4.570 -12.799 1.00 73.33 H new ATOM 0 HH2 TRP A 58 16.889 -6.975 -13.065 1.00 42.24 H new ATOM 807 N LEU A 59 21.543 -0.270 -9.564 1.00 24.34 N ATOM 808 CA LEU A 59 21.845 1.136 -9.191 1.00 2.23 C ATOM 809 C LEU A 59 21.223 2.087 -10.152 1.00 21.13 C ATOM 810 O LEU A 59 20.374 2.899 -9.789 1.00 30.44 O ATOM 811 CB LEU A 59 23.354 1.422 -9.198 1.00 72.04 C ATOM 812 CG LEU A 59 24.157 1.029 -7.983 1.00 54.53 C ATOM 813 CD1 LEU A 59 23.720 1.831 -6.776 1.00 24.32 C ATOM 814 CD2 LEU A 59 24.044 -0.443 -7.727 1.00 41.02 C ATOM 0 H LEU A 59 22.364 -0.874 -9.604 1.00 24.34 H new ATOM 0 HA LEU A 59 21.443 1.271 -8.187 1.00 2.23 H new ATOM 0 HB2 LEU A 59 23.785 0.915 -10.061 1.00 72.04 H new ATOM 0 HB3 LEU A 59 23.490 2.492 -9.356 1.00 72.04 H new ATOM 0 HG LEU A 59 25.206 1.254 -8.174 1.00 54.53 H new ATOM 0 HD11 LEU A 59 24.310 1.534 -5.909 1.00 24.32 H new ATOM 0 HD12 LEU A 59 23.870 2.893 -6.971 1.00 24.32 H new ATOM 0 HD13 LEU A 59 22.665 1.644 -6.578 1.00 24.32 H new ATOM 0 HD21 LEU A 59 24.631 -0.705 -6.846 1.00 41.02 H new ATOM 0 HD22 LEU A 59 22.999 -0.704 -7.558 1.00 41.02 H new ATOM 0 HD23 LEU A 59 24.420 -0.992 -8.590 1.00 41.02 H new ATOM 826 N HIS A 60 21.611 1.920 -11.383 1.00 50.20 N ATOM 827 CA HIS A 60 21.227 2.761 -12.486 1.00 5.03 C ATOM 828 C HIS A 60 19.697 2.781 -12.646 1.00 31.43 C ATOM 829 O HIS A 60 19.109 3.776 -13.074 1.00 33.34 O ATOM 830 CB HIS A 60 21.886 2.175 -13.729 1.00 33.33 C ATOM 831 CG HIS A 60 21.852 3.041 -14.965 1.00 61.03 C ATOM 832 ND1 HIS A 60 20.701 3.493 -15.579 1.00 61.01 N ATOM 833 CD2 HIS A 60 22.875 3.540 -15.692 1.00 10.43 C ATOM 834 CE1 HIS A 60 21.055 4.230 -16.632 1.00 72.45 C ATOM 835 NE2 HIS A 60 22.365 4.292 -16.747 1.00 73.20 N ATOM 0 H HIS A 60 22.232 1.160 -11.661 1.00 50.20 H new ATOM 0 HA HIS A 60 21.545 3.790 -12.321 1.00 5.03 H new ATOM 0 HB2 HIS A 60 22.927 1.952 -13.494 1.00 33.33 H new ATOM 0 HB3 HIS A 60 21.401 1.226 -13.960 1.00 33.33 H new ATOM 0 HD1 HIS A 60 19.746 3.297 -15.279 1.00 61.01 H new ATOM 0 HD2 HIS A 60 23.923 3.381 -15.487 1.00 10.43 H new ATOM 0 HE1 HIS A 60 20.359 4.712 -17.302 1.00 72.45 H new ATOM 843 N TRP A 61 19.077 1.701 -12.267 1.00 44.11 N ATOM 844 CA TRP A 61 17.675 1.540 -12.414 1.00 23.01 C ATOM 845 C TRP A 61 16.879 2.274 -11.316 1.00 33.40 C ATOM 846 O TRP A 61 15.884 2.898 -11.601 1.00 50.32 O ATOM 847 CB TRP A 61 17.328 0.069 -12.452 1.00 20.34 C ATOM 848 CG TRP A 61 15.898 -0.155 -12.755 1.00 52.34 C ATOM 849 CD1 TRP A 61 15.265 0.099 -13.934 1.00 11.13 C ATOM 850 CD2 TRP A 61 14.922 -0.660 -11.874 1.00 60.21 C ATOM 851 NE1 TRP A 61 13.937 -0.208 -13.826 1.00 50.34 N ATOM 852 CE2 TRP A 61 13.700 -0.680 -12.569 1.00 61.01 C ATOM 853 CE3 TRP A 61 14.960 -1.096 -10.559 1.00 11.42 C ATOM 854 CZ2 TRP A 61 12.533 -1.120 -11.985 1.00 30.22 C ATOM 855 CZ3 TRP A 61 13.804 -1.532 -9.989 1.00 14.44 C ATOM 856 CH2 TRP A 61 12.605 -1.541 -10.706 1.00 14.43 C ATOM 0 H TRP A 61 19.546 0.901 -11.842 1.00 44.11 H new ATOM 0 HA TRP A 61 17.385 1.999 -13.359 1.00 23.01 H new ATOM 0 HB2 TRP A 61 17.940 -0.429 -13.204 1.00 20.34 H new ATOM 0 HB3 TRP A 61 17.571 -0.386 -11.492 1.00 20.34 H new ATOM 0 HD1 TRP A 61 15.742 0.486 -14.823 1.00 11.13 H new ATOM 0 HE1 TRP A 61 13.240 -0.102 -14.563 1.00 50.34 H new ATOM 0 HE3 TRP A 61 15.884 -1.090 -10.000 1.00 11.42 H new ATOM 0 HZ2 TRP A 61 11.600 -1.128 -12.528 1.00 30.22 H new ATOM 0 HZ3 TRP A 61 13.813 -1.877 -8.966 1.00 14.44 H new ATOM 0 HH2 TRP A 61 11.708 -1.896 -10.221 1.00 14.43 H new ATOM 867 N PHE A 62 17.284 2.165 -10.082 1.00 42.11 N ATOM 868 CA PHE A 62 16.612 2.899 -8.997 1.00 24.44 C ATOM 869 C PHE A 62 17.053 4.332 -8.814 1.00 1.31 C ATOM 870 O PHE A 62 16.320 5.131 -8.235 1.00 44.33 O ATOM 871 CB PHE A 62 16.357 2.126 -7.688 1.00 1.11 C ATOM 872 CG PHE A 62 17.307 1.060 -7.385 1.00 51.12 C ATOM 873 CD1 PHE A 62 18.571 1.339 -6.924 1.00 31.24 C ATOM 874 CD2 PHE A 62 16.931 -0.245 -7.590 1.00 50.31 C ATOM 875 CE1 PHE A 62 19.450 0.306 -6.668 1.00 74.14 C ATOM 876 CE2 PHE A 62 17.792 -1.264 -7.353 1.00 11.42 C ATOM 877 CZ PHE A 62 19.048 -1.000 -6.890 1.00 53.15 C ATOM 0 H PHE A 62 18.068 1.585 -9.783 1.00 42.11 H new ATOM 0 HA PHE A 62 15.603 2.988 -9.401 1.00 24.44 H new ATOM 0 HB2 PHE A 62 16.361 2.837 -6.862 1.00 1.11 H new ATOM 0 HB3 PHE A 62 15.357 1.694 -7.732 1.00 1.11 H new ATOM 0 HD1 PHE A 62 18.876 2.363 -6.763 1.00 31.24 H new ATOM 0 HD2 PHE A 62 15.934 -0.462 -7.945 1.00 50.31 H new ATOM 0 HE1 PHE A 62 20.443 0.515 -6.298 1.00 74.14 H new ATOM 0 HE2 PHE A 62 17.484 -2.284 -7.530 1.00 11.42 H new ATOM 0 HZ PHE A 62 19.731 -1.813 -6.696 1.00 53.15 H new ATOM 887 N ARG A 63 18.262 4.677 -9.279 1.00 64.01 N ATOM 888 CA ARG A 63 18.747 6.080 -9.207 1.00 33.04 C ATOM 889 C ARG A 63 17.739 7.096 -9.807 1.00 42.31 C ATOM 890 O ARG A 63 17.821 8.273 -9.491 1.00 44.40 O ATOM 891 CB ARG A 63 20.137 6.284 -9.852 1.00 1.41 C ATOM 892 CG ARG A 63 21.316 5.631 -9.122 1.00 1.30 C ATOM 893 CD ARG A 63 21.522 6.165 -7.702 1.00 50.44 C ATOM 894 NE ARG A 63 21.813 7.615 -7.674 1.00 71.51 N ATOM 895 CZ ARG A 63 22.678 8.220 -6.821 1.00 41.13 C ATOM 896 NH1 ARG A 63 23.437 7.491 -5.984 1.00 15.31 N ATOM 897 NH2 ARG A 63 22.798 9.556 -6.831 1.00 35.21 N ATOM 0 H ARG A 63 18.919 4.023 -9.704 1.00 64.01 H new ATOM 0 HA ARG A 63 18.843 6.277 -8.139 1.00 33.04 H new ATOM 0 HB2 ARG A 63 20.104 5.895 -10.870 1.00 1.41 H new ATOM 0 HB3 ARG A 63 20.328 7.355 -9.926 1.00 1.41 H new ATOM 0 HG2 ARG A 63 21.155 4.554 -9.077 1.00 1.30 H new ATOM 0 HG3 ARG A 63 22.226 5.794 -9.699 1.00 1.30 H new ATOM 0 HD2 ARG A 63 20.628 5.966 -7.110 1.00 50.44 H new ATOM 0 HD3 ARG A 63 22.343 5.625 -7.231 1.00 50.44 H new ATOM 0 HE ARG A 63 21.326 8.206 -8.348 1.00 71.51 H new ATOM 0 HH11 ARG A 63 23.366 6.473 -5.986 1.00 15.31 H new ATOM 0 HH12 ARG A 63 24.084 7.956 -5.347 1.00 15.31 H new ATOM 0 HH21 ARG A 63 22.240 10.113 -7.478 1.00 35.21 H new ATOM 0 HH22 ARG A 63 23.447 10.015 -6.191 1.00 35.21 H new ATOM 911 N LYS A 64 16.788 6.607 -10.656 1.00 61.33 N ATOM 912 CA LYS A 64 15.678 7.429 -11.220 1.00 33.43 C ATOM 913 C LYS A 64 14.972 8.177 -10.124 1.00 31.30 C ATOM 914 O LYS A 64 14.655 9.345 -10.227 1.00 65.42 O ATOM 915 CB LYS A 64 14.587 6.535 -11.750 1.00 33.22 C ATOM 916 CG LYS A 64 15.019 5.470 -12.669 1.00 50.43 C ATOM 917 CD LYS A 64 13.819 4.846 -13.318 1.00 20.14 C ATOM 918 CE LYS A 64 12.726 4.290 -12.321 1.00 43.14 C ATOM 919 NZ LYS A 64 13.258 3.404 -11.235 1.00 61.04 N ATOM 0 H LYS A 64 16.771 5.636 -10.967 1.00 61.33 H new ATOM 0 HA LYS A 64 16.127 8.075 -11.975 1.00 33.43 H new ATOM 0 HB2 LYS A 64 14.078 6.074 -10.903 1.00 33.22 H new ATOM 0 HB3 LYS A 64 13.853 7.156 -12.263 1.00 33.22 H new ATOM 0 HG2 LYS A 64 15.684 5.880 -13.429 1.00 50.43 H new ATOM 0 HG3 LYS A 64 15.585 4.714 -12.125 1.00 50.43 H new ATOM 0 HD2 LYS A 64 13.352 5.586 -13.968 1.00 20.14 H new ATOM 0 HD3 LYS A 64 14.155 4.028 -13.956 1.00 20.14 H new ATOM 0 HE2 LYS A 64 12.210 5.134 -11.862 1.00 43.14 H new ATOM 0 HE3 LYS A 64 11.982 3.734 -12.892 1.00 43.14 H new ATOM 0 HZ1 LYS A 64 12.544 2.689 -10.989 1.00 61.04 H new ATOM 0 HZ2 LYS A 64 14.123 2.931 -11.566 1.00 61.04 H new ATOM 0 HZ3 LYS A 64 13.477 3.977 -10.395 1.00 61.04 H new ATOM 933 N ASN A 65 14.756 7.442 -9.054 1.00 45.31 N ATOM 934 CA ASN A 65 13.939 7.837 -7.932 1.00 60.14 C ATOM 935 C ASN A 65 14.749 8.689 -6.970 1.00 4.31 C ATOM 936 O ASN A 65 14.246 9.120 -5.926 1.00 44.42 O ATOM 937 CB ASN A 65 13.463 6.573 -7.167 1.00 33.44 C ATOM 938 CG ASN A 65 12.849 5.436 -8.018 1.00 3.34 C ATOM 939 OD1 ASN A 65 13.195 5.232 -9.189 1.00 71.21 O ATOM 940 ND2 ASN A 65 12.003 4.663 -7.416 1.00 63.03 N ATOM 0 H ASN A 65 15.163 6.514 -8.940 1.00 45.31 H new ATOM 0 HA ASN A 65 13.087 8.404 -8.307 1.00 60.14 H new ATOM 0 HB2 ASN A 65 14.313 6.167 -6.619 1.00 33.44 H new ATOM 0 HB3 ASN A 65 12.724 6.881 -6.427 1.00 33.44 H new ATOM 0 HD21 ASN A 65 11.604 3.863 -7.907 1.00 63.03 H new ATOM 0 HD22 ASN A 65 11.735 4.854 -6.451 1.00 63.03 H new ATOM 947 N GLY A 66 16.010 8.909 -7.307 1.00 0.12 N ATOM 948 CA GLY A 66 16.896 9.659 -6.457 1.00 2.15 C ATOM 949 C GLY A 66 17.318 8.864 -5.241 1.00 41.42 C ATOM 950 O GLY A 66 17.363 9.396 -4.125 1.00 25.12 O ATOM 0 H GLY A 66 16.437 8.573 -8.170 1.00 0.12 H new ATOM 0 HA2 GLY A 66 17.780 9.953 -7.023 1.00 2.15 H new ATOM 0 HA3 GLY A 66 16.402 10.577 -6.137 1.00 2.15 H new ATOM 954 N TYR A 67 17.585 7.578 -5.430 1.00 43.14 N ATOM 955 CA TYR A 67 18.012 6.752 -4.327 1.00 30.01 C ATOM 956 C TYR A 67 19.417 7.051 -3.880 1.00 1.20 C ATOM 957 O TYR A 67 20.343 7.178 -4.697 1.00 32.44 O ATOM 958 CB TYR A 67 17.817 5.255 -4.577 1.00 11.15 C ATOM 959 CG TYR A 67 16.411 4.798 -4.307 1.00 44.32 C ATOM 960 CD1 TYR A 67 15.947 4.711 -3.009 1.00 11.31 C ATOM 961 CD2 TYR A 67 15.541 4.473 -5.325 1.00 23.33 C ATOM 962 CE1 TYR A 67 14.672 4.318 -2.741 1.00 31.12 C ATOM 963 CE2 TYR A 67 14.254 4.078 -5.056 1.00 54.33 C ATOM 964 CZ TYR A 67 13.828 4.005 -3.765 1.00 52.53 C ATOM 965 OH TYR A 67 12.547 3.626 -3.495 1.00 43.53 O ATOM 0 H TYR A 67 17.513 7.097 -6.326 1.00 43.14 H new ATOM 0 HA TYR A 67 17.348 7.021 -3.506 1.00 30.01 H new ATOM 0 HB2 TYR A 67 18.076 5.027 -5.611 1.00 11.15 H new ATOM 0 HB3 TYR A 67 18.505 4.693 -3.945 1.00 11.15 H new ATOM 0 HD1 TYR A 67 16.608 4.959 -2.192 1.00 11.31 H new ATOM 0 HD2 TYR A 67 15.877 4.530 -6.350 1.00 23.33 H new ATOM 0 HE1 TYR A 67 14.329 4.254 -1.719 1.00 31.12 H new ATOM 0 HE2 TYR A 67 13.583 3.827 -5.864 1.00 54.33 H new ATOM 0 HH TYR A 67 12.423 2.688 -3.751 1.00 43.53 H new ATOM 975 N ARG A 68 19.549 7.192 -2.583 1.00 3.32 N ATOM 976 CA ARG A 68 20.760 7.410 -1.918 1.00 23.05 C ATOM 977 C ARG A 68 21.505 6.097 -1.887 1.00 64.11 C ATOM 978 O ARG A 68 21.344 5.343 -0.961 1.00 55.12 O ATOM 979 CB ARG A 68 20.413 7.798 -0.486 1.00 5.30 C ATOM 980 CG ARG A 68 21.590 8.111 0.369 1.00 44.33 C ATOM 981 CD ARG A 68 21.392 7.586 1.792 1.00 55.11 C ATOM 982 NE ARG A 68 21.468 6.112 1.842 1.00 44.24 N ATOM 983 CZ ARG A 68 20.614 5.278 2.464 1.00 42.01 C ATOM 984 NH1 ARG A 68 19.457 5.718 2.967 1.00 4.41 N ATOM 985 NH2 ARG A 68 20.899 4.000 2.524 1.00 62.33 N ATOM 0 H ARG A 68 18.752 7.151 -1.948 1.00 3.32 H new ATOM 0 HA ARG A 68 21.360 8.180 -2.403 1.00 23.05 H new ATOM 0 HB2 ARG A 68 19.754 8.666 -0.507 1.00 5.30 H new ATOM 0 HB3 ARG A 68 19.853 6.983 -0.027 1.00 5.30 H new ATOM 0 HG2 ARG A 68 22.486 7.667 -0.064 1.00 44.33 H new ATOM 0 HG3 ARG A 68 21.748 9.189 0.395 1.00 44.33 H new ATOM 0 HD2 ARG A 68 22.152 8.013 2.447 1.00 55.11 H new ATOM 0 HD3 ARG A 68 20.424 7.914 2.170 1.00 55.11 H new ATOM 0 HE ARG A 68 22.252 5.680 1.353 1.00 44.24 H new ATOM 0 HH11 ARG A 68 19.206 6.703 2.883 1.00 4.41 H new ATOM 0 HH12 ARG A 68 18.824 5.069 3.435 1.00 4.41 H new ATOM 0 HH21 ARG A 68 21.759 3.649 2.102 1.00 62.33 H new ATOM 0 HH22 ARG A 68 20.261 3.357 2.992 1.00 62.33 H new ATOM 999 N LEU A 69 22.204 5.776 -2.936 1.00 73.11 N ATOM 1000 CA LEU A 69 22.937 4.544 -2.940 1.00 33.53 C ATOM 1001 C LEU A 69 24.279 4.685 -3.512 1.00 42.44 C ATOM 1002 O LEU A 69 24.492 5.304 -4.577 1.00 23.54 O ATOM 1003 CB LEU A 69 22.174 3.415 -3.638 1.00 73.34 C ATOM 1004 CG LEU A 69 20.886 2.950 -2.949 1.00 53.15 C ATOM 1005 CD1 LEU A 69 20.159 1.939 -3.792 1.00 32.30 C ATOM 1006 CD2 LEU A 69 21.199 2.347 -1.596 1.00 60.43 C ATOM 0 H LEU A 69 22.282 6.337 -3.784 1.00 73.11 H new ATOM 0 HA LEU A 69 23.054 4.273 -1.891 1.00 33.53 H new ATOM 0 HB2 LEU A 69 21.925 3.741 -4.648 1.00 73.34 H new ATOM 0 HB3 LEU A 69 22.841 2.558 -3.735 1.00 73.34 H new ATOM 0 HG LEU A 69 20.246 3.822 -2.817 1.00 53.15 H new ATOM 0 HD11 LEU A 69 19.249 1.626 -3.280 1.00 32.30 H new ATOM 0 HD12 LEU A 69 19.900 2.385 -4.752 1.00 32.30 H new ATOM 0 HD13 LEU A 69 20.800 1.073 -3.955 1.00 32.30 H new ATOM 0 HD21 LEU A 69 20.274 2.022 -1.120 1.00 60.43 H new ATOM 0 HD22 LEU A 69 21.862 1.491 -1.724 1.00 60.43 H new ATOM 0 HD23 LEU A 69 21.687 3.093 -0.969 1.00 60.43 H new ATOM 1018 N THR A 70 25.151 4.115 -2.801 1.00 50.10 N ATOM 1019 CA THR A 70 26.494 3.959 -3.118 1.00 13.50 C ATOM 1020 C THR A 70 26.657 2.467 -3.319 1.00 1.11 C ATOM 1021 O THR A 70 25.954 1.685 -2.680 1.00 44.32 O ATOM 1022 CB THR A 70 27.346 4.399 -1.916 1.00 35.03 C ATOM 1023 OG1 THR A 70 26.781 5.588 -1.359 1.00 61.21 O ATOM 1024 CG2 THR A 70 28.783 4.682 -2.341 1.00 31.13 C ATOM 0 H THR A 70 24.919 3.707 -1.895 1.00 50.10 H new ATOM 0 HA THR A 70 26.797 4.541 -3.988 1.00 13.50 H new ATOM 0 HB THR A 70 27.354 3.596 -1.179 1.00 35.03 H new ATOM 0 HG1 THR A 70 25.989 5.357 -0.830 1.00 61.21 H new ATOM 0 HG21 THR A 70 29.365 4.991 -1.473 1.00 31.13 H new ATOM 0 HG22 THR A 70 29.220 3.780 -2.768 1.00 31.13 H new ATOM 0 HG23 THR A 70 28.792 5.478 -3.086 1.00 31.13 H new ATOM 1032 N LEU A 71 27.577 2.069 -4.151 1.00 11.45 N ATOM 1033 CA LEU A 71 27.747 0.662 -4.524 1.00 55.14 C ATOM 1034 C LEU A 71 28.005 -0.220 -3.305 1.00 71.31 C ATOM 1035 O LEU A 71 27.561 -1.357 -3.233 1.00 14.20 O ATOM 1036 CB LEU A 71 28.902 0.476 -5.522 1.00 53.41 C ATOM 1037 CG LEU A 71 28.825 1.203 -6.891 1.00 43.21 C ATOM 1038 CD1 LEU A 71 27.546 0.864 -7.598 1.00 41.45 C ATOM 1039 CD2 LEU A 71 28.972 2.715 -6.761 1.00 41.23 C ATOM 0 H LEU A 71 28.241 2.700 -4.600 1.00 11.45 H new ATOM 0 HA LEU A 71 26.812 0.358 -4.994 1.00 55.14 H new ATOM 0 HB2 LEU A 71 29.820 0.795 -5.029 1.00 53.41 H new ATOM 0 HB3 LEU A 71 29.001 -0.591 -5.719 1.00 53.41 H new ATOM 0 HG LEU A 71 29.668 0.848 -7.483 1.00 43.21 H new ATOM 0 HD11 LEU A 71 27.511 1.383 -8.556 1.00 41.45 H new ATOM 0 HD12 LEU A 71 27.498 -0.212 -7.767 1.00 41.45 H new ATOM 0 HD13 LEU A 71 26.699 1.174 -6.986 1.00 41.45 H new ATOM 0 HD21 LEU A 71 28.911 3.173 -7.748 1.00 41.23 H new ATOM 0 HD22 LEU A 71 28.174 3.105 -6.130 1.00 41.23 H new ATOM 0 HD23 LEU A 71 29.937 2.949 -6.312 1.00 41.23 H new ATOM 1051 N ARG A 72 28.653 0.363 -2.324 1.00 52.11 N ATOM 1052 CA ARG A 72 29.081 -0.345 -1.125 1.00 31.31 C ATOM 1053 C ARG A 72 27.860 -0.729 -0.264 1.00 42.25 C ATOM 1054 O ARG A 72 27.919 -1.703 0.476 1.00 1.22 O ATOM 1055 CB ARG A 72 30.101 0.539 -0.341 1.00 3.23 C ATOM 1056 CG ARG A 72 31.067 -0.218 0.596 1.00 52.13 C ATOM 1057 CD ARG A 72 30.389 -0.802 1.828 1.00 0.34 C ATOM 1058 NE ARG A 72 31.249 -1.761 2.542 1.00 0.41 N ATOM 1059 CZ ARG A 72 30.945 -3.069 2.711 1.00 64.50 C ATOM 1060 NH1 ARG A 72 29.826 -3.567 2.177 1.00 1.32 N ATOM 1061 NH2 ARG A 72 31.766 -3.868 3.405 1.00 44.53 N ATOM 0 H ARG A 72 28.904 1.352 -2.329 1.00 52.11 H new ATOM 0 HA ARG A 72 29.580 -1.274 -1.399 1.00 31.31 H new ATOM 0 HB2 ARG A 72 30.692 1.104 -1.062 1.00 3.23 H new ATOM 0 HB3 ARG A 72 29.544 1.264 0.252 1.00 3.23 H new ATOM 0 HG2 ARG A 72 31.544 -1.024 0.038 1.00 52.13 H new ATOM 0 HG3 ARG A 72 31.858 0.461 0.914 1.00 52.13 H new ATOM 0 HD2 ARG A 72 30.112 0.007 2.504 1.00 0.34 H new ATOM 0 HD3 ARG A 72 29.466 -1.299 1.530 1.00 0.34 H new ATOM 0 HE ARG A 72 32.127 -1.419 2.933 1.00 0.41 H new ATOM 0 HH11 ARG A 72 29.202 -2.962 1.643 1.00 1.32 H new ATOM 0 HH12 ARG A 72 29.595 -4.553 2.303 1.00 1.32 H new ATOM 0 HH21 ARG A 72 32.624 -3.491 3.808 1.00 44.53 H new ATOM 0 HH22 ARG A 72 31.533 -4.853 3.530 1.00 44.53 H new ATOM 1075 N GLU A 73 26.758 0.006 -0.407 1.00 61.44 N ATOM 1076 CA GLU A 73 25.534 -0.266 0.357 1.00 4.40 C ATOM 1077 C GLU A 73 24.879 -1.547 -0.147 1.00 23.12 C ATOM 1078 O GLU A 73 24.387 -2.363 0.634 1.00 2.31 O ATOM 1079 CB GLU A 73 24.579 0.924 0.260 1.00 23.34 C ATOM 1080 CG GLU A 73 25.165 2.191 0.861 1.00 43.44 C ATOM 1081 CD GLU A 73 24.299 3.416 0.658 1.00 24.42 C ATOM 1082 OE1 GLU A 73 23.286 3.568 1.362 1.00 3.11 O ATOM 1083 OE2 GLU A 73 24.654 4.246 -0.205 1.00 1.30 O ATOM 0 H GLU A 73 26.685 0.798 -1.046 1.00 61.44 H new ATOM 0 HA GLU A 73 25.788 -0.408 1.408 1.00 4.40 H new ATOM 0 HB2 GLU A 73 24.332 1.103 -0.786 1.00 23.34 H new ATOM 0 HB3 GLU A 73 23.647 0.681 0.771 1.00 23.34 H new ATOM 0 HG2 GLU A 73 25.319 2.039 1.929 1.00 43.44 H new ATOM 0 HG3 GLU A 73 26.145 2.372 0.420 1.00 43.44 H new ATOM 1090 N LEU A 74 24.957 -1.749 -1.451 1.00 34.01 N ATOM 1091 CA LEU A 74 24.430 -2.960 -2.104 1.00 22.15 C ATOM 1092 C LEU A 74 25.247 -4.158 -1.670 1.00 5.33 C ATOM 1093 O LEU A 74 24.750 -5.263 -1.559 1.00 62.13 O ATOM 1094 CB LEU A 74 24.480 -2.850 -3.648 1.00 54.23 C ATOM 1095 CG LEU A 74 23.576 -1.805 -4.331 1.00 3.10 C ATOM 1096 CD1 LEU A 74 22.115 -2.026 -3.995 1.00 54.41 C ATOM 1097 CD2 LEU A 74 24.002 -0.388 -4.007 1.00 13.51 C ATOM 0 H LEU A 74 25.385 -1.085 -2.097 1.00 34.01 H new ATOM 0 HA LEU A 74 23.388 -3.074 -1.805 1.00 22.15 H new ATOM 0 HB2 LEU A 74 25.510 -2.638 -3.934 1.00 54.23 H new ATOM 0 HB3 LEU A 74 24.230 -3.828 -4.060 1.00 54.23 H new ATOM 0 HG LEU A 74 23.694 -1.942 -5.406 1.00 3.10 H new ATOM 0 HD11 LEU A 74 21.508 -1.270 -4.494 1.00 54.41 H new ATOM 0 HD12 LEU A 74 21.810 -3.017 -4.332 1.00 54.41 H new ATOM 0 HD13 LEU A 74 21.974 -1.950 -2.917 1.00 54.41 H new ATOM 0 HD21 LEU A 74 23.338 0.315 -4.509 1.00 13.51 H new ATOM 0 HD22 LEU A 74 23.951 -0.230 -2.930 1.00 13.51 H new ATOM 0 HD23 LEU A 74 25.025 -0.228 -4.349 1.00 13.51 H new ATOM 1109 N TYR A 75 26.507 -3.900 -1.409 1.00 31.10 N ATOM 1110 CA TYR A 75 27.438 -4.907 -0.944 1.00 50.44 C ATOM 1111 C TYR A 75 27.447 -4.991 0.563 1.00 30.14 C ATOM 1112 O TYR A 75 28.249 -5.726 1.146 1.00 54.45 O ATOM 1113 CB TYR A 75 28.847 -4.568 -1.386 1.00 62.31 C ATOM 1114 CG TYR A 75 29.117 -4.702 -2.837 1.00 72.34 C ATOM 1115 CD1 TYR A 75 28.933 -5.905 -3.483 1.00 53.40 C ATOM 1116 CD2 TYR A 75 29.590 -3.632 -3.553 1.00 54.35 C ATOM 1117 CE1 TYR A 75 29.216 -6.033 -4.820 1.00 71.34 C ATOM 1118 CE2 TYR A 75 29.882 -3.742 -4.891 1.00 31.22 C ATOM 1119 CZ TYR A 75 29.695 -4.947 -5.521 1.00 74.02 C ATOM 1120 OH TYR A 75 29.985 -5.067 -6.853 1.00 4.01 O ATOM 0 H TYR A 75 26.922 -2.974 -1.514 1.00 31.10 H new ATOM 0 HA TYR A 75 27.115 -5.858 -1.369 1.00 50.44 H new ATOM 0 HB2 TYR A 75 29.064 -3.542 -1.088 1.00 62.31 H new ATOM 0 HB3 TYR A 75 29.542 -5.211 -0.845 1.00 62.31 H new ATOM 0 HD1 TYR A 75 28.562 -6.756 -2.932 1.00 53.40 H new ATOM 0 HD2 TYR A 75 29.736 -2.685 -3.055 1.00 54.35 H new ATOM 0 HE1 TYR A 75 29.064 -6.978 -5.320 1.00 71.34 H new ATOM 0 HE2 TYR A 75 30.254 -2.890 -5.441 1.00 31.22 H new ATOM 0 HH TYR A 75 30.311 -4.209 -7.195 1.00 4.01 H new ATOM 1130 N ALA A 76 26.629 -4.210 1.209 1.00 55.45 N ATOM 1131 CA ALA A 76 26.632 -4.223 2.637 1.00 11.43 C ATOM 1132 C ALA A 76 25.623 -5.223 3.124 1.00 22.53 C ATOM 1133 O ALA A 76 25.954 -6.160 3.842 1.00 21.35 O ATOM 1134 CB ALA A 76 26.386 -2.840 3.226 1.00 14.03 C ATOM 0 H ALA A 76 25.964 -3.569 0.776 1.00 55.45 H new ATOM 0 HA ALA A 76 27.623 -4.521 2.980 1.00 11.43 H new ATOM 0 HB1 ALA A 76 26.397 -2.901 4.314 1.00 14.03 H new ATOM 0 HB2 ALA A 76 27.168 -2.158 2.892 1.00 14.03 H new ATOM 0 HB3 ALA A 76 25.416 -2.470 2.893 1.00 14.03 H new ATOM 1140 N ALA A 77 24.407 -5.036 2.703 1.00 4.53 N ATOM 1141 CA ALA A 77 23.359 -5.951 3.017 1.00 11.04 C ATOM 1142 C ALA A 77 22.667 -6.349 1.731 1.00 45.12 C ATOM 1143 O ALA A 77 21.704 -5.713 1.312 1.00 54.42 O ATOM 1144 CB ALA A 77 22.376 -5.347 4.015 1.00 43.21 C ATOM 0 H ALA A 77 24.117 -4.242 2.132 1.00 4.53 H new ATOM 0 HA ALA A 77 23.779 -6.837 3.493 1.00 11.04 H new ATOM 0 HB1 ALA A 77 21.589 -6.069 4.234 1.00 43.21 H new ATOM 0 HB2 ALA A 77 22.902 -5.093 4.936 1.00 43.21 H new ATOM 0 HB3 ALA A 77 21.933 -4.446 3.590 1.00 43.21 H new ATOM 1150 N PRO A 78 23.216 -7.330 1.008 1.00 75.41 N ATOM 1151 CA PRO A 78 22.623 -7.783 -0.210 1.00 11.43 C ATOM 1152 C PRO A 78 21.542 -8.811 0.045 1.00 65.32 C ATOM 1153 O PRO A 78 21.807 -10.026 0.089 1.00 31.24 O ATOM 1154 CB PRO A 78 23.797 -8.404 -0.996 1.00 43.25 C ATOM 1155 CG PRO A 78 24.993 -8.272 -0.099 1.00 61.44 C ATOM 1156 CD PRO A 78 24.459 -8.030 1.284 1.00 71.31 C ATOM 0 HA PRO A 78 22.134 -6.973 -0.752 1.00 11.43 H new ATOM 0 HB2 PRO A 78 23.600 -9.449 -1.236 1.00 43.25 H new ATOM 0 HB3 PRO A 78 23.956 -7.884 -1.941 1.00 43.25 H new ATOM 0 HG2 PRO A 78 25.602 -9.175 -0.128 1.00 61.44 H new ATOM 0 HG3 PRO A 78 25.630 -7.448 -0.419 1.00 61.44 H new ATOM 0 HD2 PRO A 78 24.292 -8.961 1.826 1.00 71.31 H new ATOM 0 HD3 PRO A 78 25.141 -7.429 1.886 1.00 71.31 H new ATOM 1164 N THR A 79 20.367 -8.300 0.269 1.00 43.22 N ATOM 1165 CA THR A 79 19.135 -9.024 0.406 1.00 13.34 C ATOM 1166 C THR A 79 18.111 -8.059 -0.122 1.00 14.25 C ATOM 1167 O THR A 79 18.297 -6.843 0.028 1.00 41.42 O ATOM 1168 CB THR A 79 18.789 -9.381 1.899 1.00 14.33 C ATOM 1169 OG1 THR A 79 18.755 -8.206 2.709 1.00 0.31 O ATOM 1170 CG2 THR A 79 19.778 -10.362 2.506 1.00 61.41 C ATOM 0 H THR A 79 20.234 -7.294 0.368 1.00 43.22 H new ATOM 0 HA THR A 79 19.180 -9.980 -0.116 1.00 13.34 H new ATOM 0 HB THR A 79 17.806 -9.851 1.878 1.00 14.33 H new ATOM 0 HG1 THR A 79 18.536 -8.451 3.632 1.00 0.31 H new ATOM 0 HG21 THR A 79 19.494 -10.575 3.537 1.00 61.41 H new ATOM 0 HG22 THR A 79 19.773 -11.287 1.930 1.00 61.41 H new ATOM 0 HG23 THR A 79 20.778 -9.929 2.488 1.00 61.41 H new ATOM 1178 N LEU A 80 17.070 -8.517 -0.730 1.00 43.25 N ATOM 1179 CA LEU A 80 16.136 -7.593 -1.320 1.00 55.45 C ATOM 1180 C LEU A 80 15.259 -7.013 -0.263 1.00 21.10 C ATOM 1181 O LEU A 80 14.734 -5.917 -0.409 1.00 65.32 O ATOM 1182 CB LEU A 80 15.345 -8.251 -2.386 1.00 45.40 C ATOM 1183 CG LEU A 80 16.171 -8.858 -3.480 1.00 35.23 C ATOM 1184 CD1 LEU A 80 15.302 -9.634 -4.381 1.00 30.45 C ATOM 1185 CD2 LEU A 80 16.878 -7.786 -4.271 1.00 24.53 C ATOM 0 H LEU A 80 16.838 -9.505 -0.836 1.00 43.25 H new ATOM 0 HA LEU A 80 16.690 -6.778 -1.787 1.00 55.45 H new ATOM 0 HB2 LEU A 80 14.729 -9.030 -1.937 1.00 45.40 H new ATOM 0 HB3 LEU A 80 14.666 -7.519 -2.823 1.00 45.40 H new ATOM 0 HG LEU A 80 16.917 -9.512 -3.029 1.00 35.23 H new ATOM 0 HD11 LEU A 80 15.903 -10.075 -5.176 1.00 30.45 H new ATOM 0 HD12 LEU A 80 14.808 -10.426 -3.818 1.00 30.45 H new ATOM 0 HD13 LEU A 80 14.550 -8.976 -4.817 1.00 30.45 H new ATOM 0 HD21 LEU A 80 17.472 -8.248 -5.060 1.00 24.53 H new ATOM 0 HD22 LEU A 80 16.142 -7.117 -4.716 1.00 24.53 H new ATOM 0 HD23 LEU A 80 17.532 -7.218 -3.610 1.00 24.53 H new ATOM 1197 N ALA A 81 15.117 -7.756 0.803 1.00 21.24 N ATOM 1198 CA ALA A 81 14.449 -7.290 2.005 1.00 25.13 C ATOM 1199 C ALA A 81 15.112 -5.998 2.506 1.00 70.52 C ATOM 1200 O ALA A 81 14.425 -5.019 2.837 1.00 62.32 O ATOM 1201 CB ALA A 81 14.493 -8.363 3.084 1.00 72.34 C ATOM 0 H ALA A 81 15.463 -8.713 0.869 1.00 21.24 H new ATOM 0 HA ALA A 81 13.405 -7.081 1.770 1.00 25.13 H new ATOM 0 HB1 ALA A 81 13.988 -8.000 3.979 1.00 72.34 H new ATOM 0 HB2 ALA A 81 13.992 -9.261 2.724 1.00 72.34 H new ATOM 0 HB3 ALA A 81 15.531 -8.597 3.322 1.00 72.34 H new ATOM 1207 N ALA A 82 16.448 -5.977 2.502 1.00 3.12 N ATOM 1208 CA ALA A 82 17.194 -4.797 2.920 1.00 12.12 C ATOM 1209 C ALA A 82 17.093 -3.717 1.869 1.00 74.53 C ATOM 1210 O ALA A 82 17.078 -2.529 2.173 1.00 60.40 O ATOM 1211 CB ALA A 82 18.649 -5.128 3.196 1.00 71.53 C ATOM 0 H ALA A 82 17.030 -6.764 2.214 1.00 3.12 H new ATOM 0 HA ALA A 82 16.753 -4.434 3.849 1.00 12.12 H new ATOM 0 HB1 ALA A 82 19.175 -4.225 3.505 1.00 71.53 H new ATOM 0 HB2 ALA A 82 18.709 -5.873 3.990 1.00 71.53 H new ATOM 0 HB3 ALA A 82 19.110 -5.525 2.291 1.00 71.53 H new ATOM 1217 N TRP A 83 16.989 -4.123 0.626 1.00 72.12 N ATOM 1218 CA TRP A 83 16.857 -3.167 -0.449 1.00 41.02 C ATOM 1219 C TRP A 83 15.463 -2.543 -0.434 1.00 61.21 C ATOM 1220 O TRP A 83 15.268 -1.422 -0.882 1.00 75.24 O ATOM 1221 CB TRP A 83 17.223 -3.770 -1.819 1.00 72.44 C ATOM 1222 CG TRP A 83 18.667 -4.247 -1.918 1.00 73.14 C ATOM 1223 CD1 TRP A 83 19.613 -4.253 -0.924 1.00 61.42 C ATOM 1224 CD2 TRP A 83 19.318 -4.782 -3.076 1.00 54.40 C ATOM 1225 NE1 TRP A 83 20.786 -4.783 -1.383 1.00 32.42 N ATOM 1226 CE2 TRP A 83 20.638 -5.111 -2.700 1.00 5.30 C ATOM 1227 CE3 TRP A 83 18.913 -5.023 -4.387 1.00 52.24 C ATOM 1228 CZ2 TRP A 83 21.547 -5.669 -3.592 1.00 50.30 C ATOM 1229 CZ3 TRP A 83 19.817 -5.574 -5.271 1.00 55.35 C ATOM 1230 CH2 TRP A 83 21.117 -5.892 -4.870 1.00 52.42 C ATOM 0 H TRP A 83 16.993 -5.100 0.335 1.00 72.12 H new ATOM 0 HA TRP A 83 17.580 -2.369 -0.282 1.00 41.02 H new ATOM 0 HB2 TRP A 83 16.559 -4.609 -2.025 1.00 72.44 H new ATOM 0 HB3 TRP A 83 17.043 -3.024 -2.593 1.00 72.44 H new ATOM 0 HD1 TRP A 83 19.453 -3.890 0.080 1.00 61.42 H new ATOM 0 HE1 TRP A 83 21.634 -4.912 -0.831 1.00 32.42 H new ATOM 0 HE3 TRP A 83 17.909 -4.783 -4.705 1.00 52.24 H new ATOM 0 HZ2 TRP A 83 22.553 -5.916 -3.287 1.00 50.30 H new ATOM 0 HZ3 TRP A 83 19.515 -5.763 -6.291 1.00 55.35 H new ATOM 0 HH2 TRP A 83 21.799 -6.325 -5.587 1.00 52.42 H new ATOM 1241 N ASN A 84 14.502 -3.273 0.106 1.00 55.21 N ATOM 1242 CA ASN A 84 13.158 -2.754 0.315 1.00 11.21 C ATOM 1243 C ASN A 84 13.183 -1.699 1.430 1.00 11.53 C ATOM 1244 O ASN A 84 12.414 -0.742 1.407 1.00 34.41 O ATOM 1245 CB ASN A 84 12.167 -3.889 0.640 1.00 1.32 C ATOM 1246 CG ASN A 84 10.731 -3.404 0.807 1.00 24.01 C ATOM 1247 OD1 ASN A 84 9.988 -3.300 -0.158 1.00 24.15 O ATOM 1248 ND2 ASN A 84 10.324 -3.141 2.028 1.00 33.10 N ATOM 0 H ASN A 84 14.629 -4.238 0.411 1.00 55.21 H new ATOM 0 HA ASN A 84 12.814 -2.283 -0.606 1.00 11.21 H new ATOM 0 HB2 ASN A 84 12.202 -4.632 -0.156 1.00 1.32 H new ATOM 0 HB3 ASN A 84 12.484 -4.388 1.556 1.00 1.32 H new ATOM 0 HD21 ASN A 84 9.363 -2.840 2.192 1.00 33.10 H new ATOM 0 HD22 ASN A 84 10.969 -3.238 2.812 1.00 33.10 H new ATOM 1255 N GLN A 85 14.092 -1.878 2.390 1.00 72.43 N ATOM 1256 CA GLN A 85 14.314 -0.881 3.450 1.00 64.21 C ATOM 1257 C GLN A 85 14.816 0.410 2.821 1.00 52.22 C ATOM 1258 O GLN A 85 14.299 1.489 3.105 1.00 22.45 O ATOM 1259 CB GLN A 85 15.327 -1.390 4.481 1.00 3.25 C ATOM 1260 CG GLN A 85 14.822 -2.523 5.355 1.00 1.24 C ATOM 1261 CD GLN A 85 15.918 -3.120 6.222 1.00 74.53 C ATOM 1262 OE1 GLN A 85 16.569 -4.086 5.842 1.00 1.31 O ATOM 1263 NE2 GLN A 85 16.172 -2.526 7.346 1.00 34.30 N ATOM 0 H GLN A 85 14.689 -2.702 2.459 1.00 72.43 H new ATOM 0 HA GLN A 85 13.371 -0.701 3.967 1.00 64.21 H new ATOM 0 HB2 GLN A 85 16.223 -1.724 3.957 1.00 3.25 H new ATOM 0 HB3 GLN A 85 15.623 -0.559 5.121 1.00 3.25 H new ATOM 0 HG2 GLN A 85 14.018 -2.155 5.993 1.00 1.24 H new ATOM 0 HG3 GLN A 85 14.397 -3.303 4.724 1.00 1.24 H new ATOM 0 HE21 GLN A 85 15.613 -1.724 7.637 1.00 34.30 H new ATOM 0 HE22 GLN A 85 16.931 -2.861 7.940 1.00 34.30 H new ATOM 1272 N LEU A 86 15.793 0.268 1.909 1.00 74.14 N ATOM 1273 CA LEU A 86 16.356 1.395 1.150 1.00 12.24 C ATOM 1274 C LEU A 86 15.235 2.190 0.466 1.00 53.33 C ATOM 1275 O LEU A 86 15.217 3.431 0.480 1.00 42.42 O ATOM 1276 CB LEU A 86 17.305 0.874 0.072 1.00 14.43 C ATOM 1277 CG LEU A 86 18.494 0.058 0.561 1.00 34.44 C ATOM 1278 CD1 LEU A 86 19.229 -0.528 -0.613 1.00 22.24 C ATOM 1279 CD2 LEU A 86 19.451 0.907 1.379 1.00 35.10 C ATOM 0 H LEU A 86 16.214 -0.632 1.678 1.00 74.14 H new ATOM 0 HA LEU A 86 16.894 2.040 1.845 1.00 12.24 H new ATOM 0 HB2 LEU A 86 16.731 0.261 -0.623 1.00 14.43 H new ATOM 0 HB3 LEU A 86 17.683 1.726 -0.493 1.00 14.43 H new ATOM 0 HG LEU A 86 18.112 -0.740 1.198 1.00 34.44 H new ATOM 0 HD11 LEU A 86 20.078 -1.111 -0.256 1.00 22.24 H new ATOM 0 HD12 LEU A 86 18.557 -1.174 -1.177 1.00 22.24 H new ATOM 0 HD13 LEU A 86 19.585 0.276 -1.257 1.00 22.24 H new ATOM 0 HD21 LEU A 86 20.288 0.293 1.712 1.00 35.10 H new ATOM 0 HD22 LEU A 86 19.824 1.728 0.766 1.00 35.10 H new ATOM 0 HD23 LEU A 86 18.929 1.310 2.247 1.00 35.10 H new ATOM 1291 N MET A 87 14.290 1.435 -0.110 1.00 64.13 N ATOM 1292 CA MET A 87 13.123 1.983 -0.811 1.00 51.41 C ATOM 1293 C MET A 87 12.279 2.836 0.107 1.00 12.02 C ATOM 1294 O MET A 87 11.969 3.990 -0.184 1.00 61.03 O ATOM 1295 CB MET A 87 12.205 0.862 -1.315 1.00 60.32 C ATOM 1296 CG MET A 87 12.797 -0.092 -2.314 1.00 13.15 C ATOM 1297 SD MET A 87 13.211 0.676 -3.870 1.00 53.14 S ATOM 1298 CE MET A 87 13.663 -0.769 -4.778 1.00 32.24 C ATOM 0 H MET A 87 14.315 0.415 -0.102 1.00 64.13 H new ATOM 0 HA MET A 87 13.518 2.573 -1.638 1.00 51.41 H new ATOM 0 HB2 MET A 87 11.865 0.287 -0.454 1.00 60.32 H new ATOM 0 HB3 MET A 87 11.322 1.319 -1.762 1.00 60.32 H new ATOM 0 HG2 MET A 87 13.695 -0.541 -1.889 1.00 13.15 H new ATOM 0 HG3 MET A 87 12.090 -0.902 -2.494 1.00 13.15 H new ATOM 0 HE1 MET A 87 14.576 -0.574 -5.341 1.00 32.24 H new ATOM 0 HE2 MET A 87 13.832 -1.595 -4.087 1.00 32.24 H new ATOM 0 HE3 MET A 87 12.861 -1.031 -5.468 1.00 32.24 H new ATOM 1308 N LEU A 88 11.904 2.254 1.215 1.00 32.52 N ATOM 1309 CA LEU A 88 10.964 2.870 2.107 1.00 10.01 C ATOM 1310 C LEU A 88 11.544 3.961 2.913 1.00 74.41 C ATOM 1311 O LEU A 88 11.031 5.095 2.907 1.00 72.34 O ATOM 1312 CB LEU A 88 10.440 1.879 3.102 1.00 63.13 C ATOM 1313 CG LEU A 88 9.660 0.716 2.599 1.00 1.13 C ATOM 1314 CD1 LEU A 88 9.168 -0.030 3.802 1.00 52.21 C ATOM 1315 CD2 LEU A 88 8.512 1.193 1.732 1.00 20.10 C ATOM 0 H LEU A 88 12.242 1.342 1.522 1.00 32.52 H new ATOM 0 HA LEU A 88 10.186 3.261 1.452 1.00 10.01 H new ATOM 0 HB2 LEU A 88 11.290 1.491 3.663 1.00 63.13 H new ATOM 0 HB3 LEU A 88 9.811 2.420 3.809 1.00 63.13 H new ATOM 0 HG LEU A 88 10.273 0.063 1.978 1.00 1.13 H new ATOM 0 HD11 LEU A 88 8.588 -0.895 3.481 1.00 52.21 H new ATOM 0 HD12 LEU A 88 10.019 -0.363 4.396 1.00 52.21 H new ATOM 0 HD13 LEU A 88 8.539 0.625 4.404 1.00 52.21 H new ATOM 0 HD21 LEU A 88 7.948 0.333 1.370 1.00 20.10 H new ATOM 0 HD22 LEU A 88 7.856 1.836 2.319 1.00 20.10 H new ATOM 0 HD23 LEU A 88 8.905 1.753 0.884 1.00 20.10 H new