USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1103 hydrogens (55 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 125 ASN : amide:sc= -0.124 K(o=-0.13,f=-1.1) USER MOD Set 1.2: A 127 GLN : amide:sc=-0.00843 K(o=-0.13,f=-4.1!) USER MOD Set 2.1: A 29 TYR OH : rot 170:sc= 1.15 USER MOD Set 2.2: A 97 THR OG1 : rot 147:sc= 0.818 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0932) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 146:sc= 0.0341 (180deg=-0.422) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-8!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.498 USER MOD Single : A 47 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 53 THR OG1 : rot -44:sc= 1.6 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -102:sc= -0.223 USER MOD Single : A 59 GLN : amide:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 67 SER OG : rot 82:sc= 1.31 USER MOD Single : A 69 GLN : amide:sc= -0.0785 X(o=-0.078,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -135:sc= 0.994 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.711 USER MOD Single : A 80 ASN : amide:sc= -4.75! C(o=-4.8!,f=-5.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.464 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -140:sc= -0.309 USER MOD Single : A 89 HIS : no HE2:sc= -0.531 K(o=0.16,f=-3.9!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.36) USER MOD Single : A 109 ASN : amide:sc= 0.255 X(o=0.26,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 156:sc= -0.0296 (180deg=-0.231) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.805 K(o=-0.8,f=-2.2!) USER MOD Single : A 117 GLN : amide:sc= -0.0397 K(o=-0.04,f=-1.5!) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 126 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot -155:sc= 0.0743 USER MOD Single : A 300 PBU O3 : rot 180:sc= 0.0681 USER MOD Single : A 300 PBU O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 4.568 7.533 -9.749 1.00 42.24 N ATOM 2 CA GLY A 2 5.997 7.298 -9.657 1.00 22.44 C ATOM 3 C GLY A 2 6.605 6.892 -10.984 1.00 64.24 C ATOM 4 O GLY A 2 6.379 7.543 -12.003 1.00 51.54 O ATOM 0 HA2 GLY A 2 6.488 8.202 -9.297 1.00 22.44 H new ATOM 0 HA3 GLY A 2 6.187 6.518 -8.920 1.00 22.44 H new ATOM 8 N ALA A 3 7.381 5.813 -10.973 1.00 62.20 N ATOM 9 CA ALA A 3 8.024 5.321 -12.185 1.00 54.05 C ATOM 10 C ALA A 3 7.242 4.159 -12.788 1.00 71.41 C ATOM 11 O ALA A 3 6.148 3.830 -12.330 1.00 14.25 O ATOM 12 CB ALA A 3 9.456 4.900 -11.890 1.00 74.05 C ATOM 0 H ALA A 3 7.580 5.263 -10.137 1.00 62.20 H new ATOM 0 HA ALA A 3 8.039 6.132 -12.913 1.00 54.05 H new ATOM 0 HB1 ALA A 3 9.924 4.535 -12.804 1.00 74.05 H new ATOM 0 HB2 ALA A 3 10.016 5.755 -11.513 1.00 74.05 H new ATOM 0 HB3 ALA A 3 9.455 4.108 -11.141 1.00 74.05 H new ATOM 18 N ARG A 4 7.810 3.540 -13.818 1.00 41.42 N ATOM 19 CA ARG A 4 7.165 2.416 -14.485 1.00 31.43 C ATOM 20 C ARG A 4 7.992 1.143 -14.328 1.00 4.23 C ATOM 21 O ARG A 4 9.124 1.064 -14.804 1.00 43.51 O ATOM 22 CB ARG A 4 6.960 2.724 -15.969 1.00 65.11 C ATOM 23 CG ARG A 4 5.747 3.595 -16.249 1.00 11.24 C ATOM 24 CD ARG A 4 4.846 2.974 -17.304 1.00 61.44 C ATOM 25 NE ARG A 4 3.861 2.068 -16.719 1.00 63.32 N ATOM 26 CZ ARG A 4 2.741 2.478 -16.135 1.00 41.10 C ATOM 27 NH1 ARG A 4 2.465 3.773 -16.059 1.00 30.41 N ATOM 28 NH2 ARG A 4 1.894 1.593 -15.626 1.00 22.42 N ATOM 0 H ARG A 4 8.716 3.798 -14.209 1.00 41.42 H new ATOM 0 HA ARG A 4 6.193 2.258 -14.017 1.00 31.43 H new ATOM 0 HB2 ARG A 4 7.850 3.221 -16.354 1.00 65.11 H new ATOM 0 HB3 ARG A 4 6.857 1.786 -16.515 1.00 65.11 H new ATOM 0 HG2 ARG A 4 5.183 3.742 -15.328 1.00 11.24 H new ATOM 0 HG3 ARG A 4 6.074 4.580 -16.583 1.00 11.24 H new ATOM 0 HD2 ARG A 4 4.332 3.764 -17.852 1.00 61.44 H new ATOM 0 HD3 ARG A 4 5.455 2.430 -18.026 1.00 61.44 H new ATOM 0 HE ARG A 4 4.043 1.065 -16.761 1.00 63.32 H new ATOM 0 HH11 ARG A 4 3.114 4.456 -16.450 1.00 30.41 H new ATOM 0 HH12 ARG A 4 1.604 4.085 -15.610 1.00 30.41 H new ATOM 0 HH21 ARG A 4 2.103 0.596 -15.683 1.00 22.42 H new ATOM 0 HH22 ARG A 4 1.034 1.909 -15.178 1.00 22.42 H new ATOM 42 N ALA A 5 7.419 0.150 -13.656 1.00 63.11 N ATOM 43 CA ALA A 5 8.103 -1.119 -13.438 1.00 11.24 C ATOM 44 C ALA A 5 7.104 -2.246 -13.199 1.00 64.53 C ATOM 45 O ALA A 5 5.990 -2.013 -12.732 1.00 31.04 O ATOM 46 CB ALA A 5 9.064 -1.005 -12.263 1.00 71.25 C ATOM 0 H ALA A 5 6.483 0.200 -13.253 1.00 63.11 H new ATOM 0 HA ALA A 5 8.672 -1.357 -14.337 1.00 11.24 H new ATOM 0 HB1 ALA A 5 9.568 -1.959 -12.111 1.00 71.25 H new ATOM 0 HB2 ALA A 5 9.804 -0.233 -12.472 1.00 71.25 H new ATOM 0 HB3 ALA A 5 8.509 -0.741 -11.363 1.00 71.25 H new ATOM 52 N SER A 6 7.511 -3.469 -13.524 1.00 61.45 N ATOM 53 CA SER A 6 6.650 -4.633 -13.350 1.00 31.12 C ATOM 54 C SER A 6 5.351 -4.470 -14.134 1.00 23.51 C ATOM 55 O SER A 6 5.193 -3.525 -14.906 1.00 11.41 O ATOM 56 CB SER A 6 6.340 -4.847 -11.867 1.00 2.31 C ATOM 57 OG SER A 6 7.503 -4.683 -11.074 1.00 43.12 O ATOM 0 H SER A 6 8.432 -3.679 -13.909 1.00 61.45 H new ATOM 0 HA SER A 6 7.179 -5.506 -13.733 1.00 31.12 H new ATOM 0 HB2 SER A 6 5.575 -4.140 -11.547 1.00 2.31 H new ATOM 0 HB3 SER A 6 5.932 -5.847 -11.718 1.00 2.31 H new ATOM 0 HG SER A 6 7.278 -4.823 -10.131 1.00 43.12 H new ATOM 63 N VAL A 7 4.424 -5.401 -13.930 1.00 52.40 N ATOM 64 CA VAL A 7 3.138 -5.361 -14.616 1.00 71.42 C ATOM 65 C VAL A 7 2.131 -4.512 -13.849 1.00 21.15 C ATOM 66 O VAL A 7 1.712 -3.452 -14.316 1.00 31.31 O ATOM 67 CB VAL A 7 2.560 -6.776 -14.807 1.00 31.34 C ATOM 68 CG1 VAL A 7 1.208 -6.712 -15.500 1.00 72.13 C ATOM 69 CG2 VAL A 7 3.530 -7.647 -15.591 1.00 41.51 C ATOM 0 H VAL A 7 4.540 -6.191 -13.296 1.00 52.40 H new ATOM 0 HA VAL A 7 3.315 -4.913 -15.594 1.00 71.42 H new ATOM 0 HB VAL A 7 2.417 -7.226 -13.825 1.00 31.34 H new ATOM 0 HG11 VAL A 7 0.816 -7.721 -15.626 1.00 72.13 H new ATOM 0 HG12 VAL A 7 0.516 -6.127 -14.894 1.00 72.13 H new ATOM 0 HG13 VAL A 7 1.322 -6.242 -16.477 1.00 72.13 H new ATOM 0 HG21 VAL A 7 3.105 -8.643 -15.716 1.00 41.51 H new ATOM 0 HG22 VAL A 7 3.708 -7.203 -16.570 1.00 41.51 H new ATOM 0 HG23 VAL A 7 4.473 -7.720 -15.049 1.00 41.51 H new ATOM 79 N LEU A 8 1.747 -4.983 -12.668 1.00 32.35 N ATOM 80 CA LEU A 8 0.789 -4.267 -11.833 1.00 15.21 C ATOM 81 C LEU A 8 1.443 -3.788 -10.541 1.00 50.20 C ATOM 82 O LEU A 8 1.945 -4.589 -9.753 1.00 72.53 O ATOM 83 CB LEU A 8 -0.407 -5.164 -11.510 1.00 34.22 C ATOM 84 CG LEU A 8 -1.273 -5.583 -12.699 1.00 1.12 C ATOM 85 CD1 LEU A 8 -2.487 -6.366 -12.225 1.00 75.14 C ATOM 86 CD2 LEU A 8 -1.702 -4.363 -13.502 1.00 31.53 C ATOM 0 H LEU A 8 2.084 -5.858 -12.267 1.00 32.35 H new ATOM 0 HA LEU A 8 0.442 -3.395 -12.388 1.00 15.21 H new ATOM 0 HB2 LEU A 8 -0.038 -6.065 -11.020 1.00 34.22 H new ATOM 0 HB3 LEU A 8 -1.040 -4.646 -10.790 1.00 34.22 H new ATOM 0 HG LEU A 8 -0.680 -6.229 -13.347 1.00 1.12 H new ATOM 0 HD11 LEU A 8 -3.091 -6.656 -13.085 1.00 75.14 H new ATOM 0 HD12 LEU A 8 -2.159 -7.260 -11.694 1.00 75.14 H new ATOM 0 HD13 LEU A 8 -3.082 -5.745 -11.556 1.00 75.14 H new ATOM 0 HD21 LEU A 8 -2.317 -4.680 -14.344 1.00 31.53 H new ATOM 0 HD22 LEU A 8 -2.277 -3.692 -12.864 1.00 31.53 H new ATOM 0 HD23 LEU A 8 -0.819 -3.843 -13.873 1.00 31.53 H new ATOM 98 N SER A 9 1.432 -2.476 -10.329 1.00 51.43 N ATOM 99 CA SER A 9 2.026 -1.889 -9.134 1.00 33.24 C ATOM 100 C SER A 9 1.195 -2.219 -7.897 1.00 40.40 C ATOM 101 O SER A 9 0.230 -2.978 -7.968 1.00 54.20 O ATOM 102 CB SER A 9 2.148 -0.372 -9.291 1.00 31.34 C ATOM 103 OG SER A 9 1.022 0.290 -8.741 1.00 73.34 O ATOM 0 H SER A 9 1.018 -1.799 -10.970 1.00 51.43 H new ATOM 0 HA SER A 9 3.021 -2.314 -9.006 1.00 33.24 H new ATOM 0 HB2 SER A 9 3.055 -0.024 -8.797 1.00 31.34 H new ATOM 0 HB3 SER A 9 2.243 -0.119 -10.347 1.00 31.34 H new ATOM 0 HG SER A 9 1.125 1.258 -8.852 1.00 73.34 H new ATOM 109 N GLY A 10 1.579 -1.641 -6.763 1.00 11.34 N ATOM 110 CA GLY A 10 0.860 -1.884 -5.526 1.00 20.53 C ATOM 111 C GLY A 10 -0.623 -1.594 -5.650 1.00 24.31 C ATOM 112 O GLY A 10 -1.457 -2.420 -5.281 1.00 41.23 O ATOM 0 H GLY A 10 2.375 -1.009 -6.679 1.00 11.34 H new ATOM 0 HA2 GLY A 10 1.000 -2.923 -5.226 1.00 20.53 H new ATOM 0 HA3 GLY A 10 1.283 -1.264 -4.736 1.00 20.53 H new ATOM 116 N GLY A 11 -0.952 -0.416 -6.170 1.00 10.42 N ATOM 117 CA GLY A 11 -2.344 -0.039 -6.330 1.00 52.35 C ATOM 118 C GLY A 11 -3.086 -0.954 -7.284 1.00 33.10 C ATOM 119 O GLY A 11 -4.167 -1.449 -6.964 1.00 45.21 O ATOM 0 H GLY A 11 -0.280 0.284 -6.483 1.00 10.42 H new ATOM 0 HA2 GLY A 11 -2.836 -0.057 -5.358 1.00 52.35 H new ATOM 0 HA3 GLY A 11 -2.400 0.986 -6.697 1.00 52.35 H new ATOM 123 N GLU A 12 -2.506 -1.178 -8.459 1.00 31.21 N ATOM 124 CA GLU A 12 -3.122 -2.038 -9.462 1.00 61.44 C ATOM 125 C GLU A 12 -3.323 -3.450 -8.919 1.00 72.23 C ATOM 126 O GLU A 12 -4.352 -4.082 -9.165 1.00 41.44 O ATOM 127 CB GLU A 12 -2.260 -2.084 -10.726 1.00 25.24 C ATOM 128 CG GLU A 12 -1.803 -0.715 -11.201 1.00 31.11 C ATOM 129 CD GLU A 12 -1.115 -0.766 -12.551 1.00 50.22 C ATOM 130 OE1 GLU A 12 0.074 -1.144 -12.596 1.00 45.13 O ATOM 131 OE2 GLU A 12 -1.765 -0.428 -13.562 1.00 52.31 O ATOM 0 H GLU A 12 -1.611 -0.776 -8.739 1.00 31.21 H new ATOM 0 HA GLU A 12 -4.098 -1.621 -9.711 1.00 61.44 H new ATOM 0 HB2 GLU A 12 -1.384 -2.704 -10.536 1.00 25.24 H new ATOM 0 HB3 GLU A 12 -2.825 -2.566 -11.524 1.00 25.24 H new ATOM 0 HG2 GLU A 12 -2.664 -0.049 -11.261 1.00 31.11 H new ATOM 0 HG3 GLU A 12 -1.121 -0.288 -10.466 1.00 31.11 H new ATOM 138 N LEU A 13 -2.334 -3.940 -8.180 1.00 50.21 N ATOM 139 CA LEU A 13 -2.401 -5.277 -7.602 1.00 22.43 C ATOM 140 C LEU A 13 -3.620 -5.419 -6.696 1.00 2.31 C ATOM 141 O LEU A 13 -4.247 -6.477 -6.643 1.00 51.31 O ATOM 142 CB LEU A 13 -1.126 -5.577 -6.811 1.00 11.31 C ATOM 143 CG LEU A 13 -0.796 -7.055 -6.604 1.00 33.41 C ATOM 144 CD1 LEU A 13 0.622 -7.218 -6.078 1.00 55.42 C ATOM 145 CD2 LEU A 13 -1.796 -7.697 -5.653 1.00 12.21 C ATOM 0 H LEU A 13 -1.476 -3.431 -7.967 1.00 50.21 H new ATOM 0 HA LEU A 13 -2.492 -5.994 -8.418 1.00 22.43 H new ATOM 0 HB2 LEU A 13 -0.286 -5.106 -7.322 1.00 11.31 H new ATOM 0 HB3 LEU A 13 -1.210 -5.104 -5.833 1.00 11.31 H new ATOM 0 HG LEU A 13 -0.864 -7.560 -7.567 1.00 33.41 H new ATOM 0 HD11 LEU A 13 0.838 -8.277 -5.937 1.00 55.42 H new ATOM 0 HD12 LEU A 13 1.327 -6.796 -6.795 1.00 55.42 H new ATOM 0 HD13 LEU A 13 0.719 -6.698 -5.125 1.00 55.42 H new ATOM 0 HD21 LEU A 13 -1.545 -8.749 -5.517 1.00 12.21 H new ATOM 0 HD22 LEU A 13 -1.760 -7.188 -4.690 1.00 12.21 H new ATOM 0 HD23 LEU A 13 -2.800 -7.614 -6.070 1.00 12.21 H new ATOM 157 N ASP A 14 -3.951 -4.345 -5.986 1.00 63.44 N ATOM 158 CA ASP A 14 -5.097 -4.348 -5.085 1.00 20.30 C ATOM 159 C ASP A 14 -6.388 -4.627 -5.848 1.00 50.44 C ATOM 160 O ASP A 14 -7.078 -5.611 -5.585 1.00 33.43 O ATOM 161 CB ASP A 14 -5.201 -3.009 -4.353 1.00 61.25 C ATOM 162 CG ASP A 14 -5.829 -3.147 -2.980 1.00 41.34 C ATOM 163 OD1 ASP A 14 -6.520 -4.159 -2.743 1.00 33.35 O ATOM 164 OD2 ASP A 14 -5.628 -2.242 -2.143 1.00 72.15 O ATOM 0 H ASP A 14 -3.442 -3.462 -6.018 1.00 63.44 H new ATOM 0 HA ASP A 14 -4.950 -5.142 -4.353 1.00 20.30 H new ATOM 0 HB2 ASP A 14 -4.206 -2.575 -4.252 1.00 61.25 H new ATOM 0 HB3 ASP A 14 -5.792 -2.316 -4.952 1.00 61.25 H new ATOM 169 N LYS A 15 -6.709 -3.752 -6.796 1.00 15.14 N ATOM 170 CA LYS A 15 -7.917 -3.902 -7.598 1.00 73.14 C ATOM 171 C LYS A 15 -7.872 -5.191 -8.413 1.00 52.22 C ATOM 172 O LYS A 15 -8.896 -5.843 -8.617 1.00 71.02 O ATOM 173 CB LYS A 15 -8.086 -2.701 -8.532 1.00 74.51 C ATOM 174 CG LYS A 15 -8.768 -1.513 -7.877 1.00 52.21 C ATOM 175 CD LYS A 15 -8.494 -0.225 -8.635 1.00 42.04 C ATOM 176 CE LYS A 15 -9.033 0.986 -7.890 1.00 53.44 C ATOM 177 NZ LYS A 15 -7.964 1.983 -7.604 1.00 32.44 N ATOM 0 H LYS A 15 -6.149 -2.932 -7.027 1.00 15.14 H new ATOM 0 HA LYS A 15 -8.770 -3.951 -6.921 1.00 73.14 H new ATOM 0 HB2 LYS A 15 -7.105 -2.392 -8.894 1.00 74.51 H new ATOM 0 HB3 LYS A 15 -8.665 -3.007 -9.403 1.00 74.51 H new ATOM 0 HG2 LYS A 15 -9.843 -1.688 -7.833 1.00 52.21 H new ATOM 0 HG3 LYS A 15 -8.419 -1.413 -6.849 1.00 52.21 H new ATOM 0 HD2 LYS A 15 -7.420 -0.112 -8.786 1.00 42.04 H new ATOM 0 HD3 LYS A 15 -8.951 -0.279 -9.623 1.00 42.04 H new ATOM 0 HE2 LYS A 15 -9.819 1.456 -8.481 1.00 53.44 H new ATOM 0 HE3 LYS A 15 -9.488 0.663 -6.954 1.00 53.44 H new ATOM 0 HZ1 LYS A 15 -8.372 2.793 -7.095 1.00 32.44 H new ATOM 0 HZ2 LYS A 15 -7.226 1.542 -7.018 1.00 32.44 H new ATOM 0 HZ3 LYS A 15 -7.546 2.310 -8.498 1.00 32.44 H new ATOM 191 N TRP A 16 -6.680 -5.552 -8.875 1.00 15.14 N ATOM 192 CA TRP A 16 -6.503 -6.764 -9.666 1.00 63.20 C ATOM 193 C TRP A 16 -7.006 -7.988 -8.908 1.00 5.20 C ATOM 194 O TRP A 16 -7.780 -8.783 -9.440 1.00 3.32 O ATOM 195 CB TRP A 16 -5.029 -6.946 -10.034 1.00 32.55 C ATOM 196 CG TRP A 16 -4.740 -8.260 -10.695 1.00 52.34 C ATOM 197 CD1 TRP A 16 -4.281 -9.397 -10.095 1.00 3.24 C ATOM 198 CD2 TRP A 16 -4.889 -8.570 -12.085 1.00 75.11 C ATOM 199 NE1 TRP A 16 -4.135 -10.395 -11.027 1.00 74.51 N ATOM 200 CE2 TRP A 16 -4.503 -9.914 -12.256 1.00 31.04 C ATOM 201 CE3 TRP A 16 -5.314 -7.845 -13.201 1.00 42.45 C ATOM 202 CZ2 TRP A 16 -4.528 -10.544 -13.497 1.00 51.42 C ATOM 203 CZ3 TRP A 16 -5.338 -8.471 -14.433 1.00 42.21 C ATOM 204 CH2 TRP A 16 -4.948 -9.809 -14.573 1.00 62.41 C ATOM 0 H TRP A 16 -5.823 -5.023 -8.716 1.00 15.14 H new ATOM 0 HA TRP A 16 -7.089 -6.661 -10.580 1.00 63.20 H new ATOM 0 HB2 TRP A 16 -4.726 -6.138 -10.700 1.00 32.55 H new ATOM 0 HB3 TRP A 16 -4.423 -6.860 -9.132 1.00 32.55 H new ATOM 0 HD1 TRP A 16 -4.064 -9.497 -9.042 1.00 3.24 H new ATOM 0 HE1 TRP A 16 -3.806 -11.341 -10.835 1.00 74.51 H new ATOM 0 HE3 TRP A 16 -5.618 -6.813 -13.103 1.00 42.45 H new ATOM 0 HZ2 TRP A 16 -4.227 -11.575 -13.607 1.00 51.42 H new ATOM 0 HZ3 TRP A 16 -5.663 -7.919 -15.303 1.00 42.21 H new ATOM 0 HH2 TRP A 16 -4.979 -10.270 -15.549 1.00 62.41 H new ATOM 215 N GLU A 17 -6.560 -8.132 -7.664 1.00 35.04 N ATOM 216 CA GLU A 17 -6.966 -9.260 -6.834 1.00 33.41 C ATOM 217 C GLU A 17 -8.477 -9.262 -6.619 1.00 10.12 C ATOM 218 O GLU A 17 -9.079 -10.306 -6.369 1.00 33.22 O ATOM 219 CB GLU A 17 -6.248 -9.214 -5.484 1.00 1.43 C ATOM 220 CG GLU A 17 -4.946 -9.996 -5.460 1.00 24.12 C ATOM 221 CD GLU A 17 -4.638 -10.575 -4.093 1.00 32.54 C ATOM 222 OE1 GLU A 17 -4.020 -9.864 -3.273 1.00 34.02 O ATOM 223 OE2 GLU A 17 -5.015 -11.739 -3.843 1.00 24.54 O ATOM 0 H GLU A 17 -5.918 -7.482 -7.209 1.00 35.04 H new ATOM 0 HA GLU A 17 -6.689 -10.177 -7.353 1.00 33.41 H new ATOM 0 HB2 GLU A 17 -6.043 -8.175 -5.226 1.00 1.43 H new ATOM 0 HB3 GLU A 17 -6.913 -9.608 -4.715 1.00 1.43 H new ATOM 0 HG2 GLU A 17 -4.999 -10.804 -6.189 1.00 24.12 H new ATOM 0 HG3 GLU A 17 -4.129 -9.343 -5.766 1.00 24.12 H new ATOM 230 N LYS A 18 -9.084 -8.084 -6.717 1.00 42.01 N ATOM 231 CA LYS A 18 -10.524 -7.947 -6.534 1.00 41.15 C ATOM 232 C LYS A 18 -11.279 -8.463 -7.755 1.00 62.22 C ATOM 233 O LYS A 18 -12.215 -9.254 -7.629 1.00 44.42 O ATOM 234 CB LYS A 18 -10.889 -6.483 -6.277 1.00 71.22 C ATOM 235 CG LYS A 18 -12.197 -6.306 -5.526 1.00 53.21 C ATOM 236 CD LYS A 18 -12.913 -5.033 -5.946 1.00 75.24 C ATOM 237 CE LYS A 18 -14.411 -5.128 -5.698 1.00 30.41 C ATOM 238 NZ LYS A 18 -14.717 -5.474 -4.282 1.00 75.23 N ATOM 0 H LYS A 18 -8.600 -7.210 -6.922 1.00 42.01 H new ATOM 0 HA LYS A 18 -10.814 -8.545 -5.670 1.00 41.15 H new ATOM 0 HB2 LYS A 18 -10.087 -6.011 -5.709 1.00 71.22 H new ATOM 0 HB3 LYS A 18 -10.954 -5.960 -7.231 1.00 71.22 H new ATOM 0 HG2 LYS A 18 -12.842 -7.165 -5.710 1.00 53.21 H new ATOM 0 HG3 LYS A 18 -12.001 -6.278 -4.454 1.00 53.21 H new ATOM 0 HD2 LYS A 18 -12.505 -4.186 -5.395 1.00 75.24 H new ATOM 0 HD3 LYS A 18 -12.730 -4.843 -7.004 1.00 75.24 H new ATOM 0 HE2 LYS A 18 -14.882 -4.178 -5.950 1.00 30.41 H new ATOM 0 HE3 LYS A 18 -14.841 -5.882 -6.357 1.00 30.41 H new ATOM 0 HZ1 LYS A 18 -15.741 -5.397 -4.119 1.00 75.23 H new ATOM 0 HZ2 LYS A 18 -14.408 -6.448 -4.088 1.00 75.23 H new ATOM 0 HZ3 LYS A 18 -14.216 -4.819 -3.648 1.00 75.23 H new ATOM 252 N ILE A 19 -10.865 -8.013 -8.935 1.00 13.31 N ATOM 253 CA ILE A 19 -11.501 -8.432 -10.178 1.00 14.23 C ATOM 254 C ILE A 19 -11.588 -9.952 -10.266 1.00 3.32 C ATOM 255 O ILE A 19 -10.660 -10.660 -9.874 1.00 41.02 O ATOM 256 CB ILE A 19 -10.741 -7.900 -11.407 1.00 4.04 C ATOM 257 CG1 ILE A 19 -10.662 -6.373 -11.363 1.00 43.51 C ATOM 258 CG2 ILE A 19 -11.415 -8.365 -12.689 1.00 1.42 C ATOM 259 CD1 ILE A 19 -9.286 -5.829 -11.680 1.00 21.35 C ATOM 0 H ILE A 19 -10.092 -7.358 -9.056 1.00 13.31 H new ATOM 0 HA ILE A 19 -12.507 -8.013 -10.174 1.00 14.23 H new ATOM 0 HB ILE A 19 -9.726 -8.298 -11.389 1.00 4.04 H new ATOM 0 HG12 ILE A 19 -11.379 -5.960 -12.072 1.00 43.51 H new ATOM 0 HG13 ILE A 19 -10.960 -6.030 -10.372 1.00 43.51 H new ATOM 0 HG21 ILE A 19 -10.866 -7.981 -13.549 1.00 1.42 H new ATOM 0 HG22 ILE A 19 -11.423 -9.454 -12.721 1.00 1.42 H new ATOM 0 HG23 ILE A 19 -12.439 -7.993 -12.717 1.00 1.42 H new ATOM 0 HD11 ILE A 19 -9.305 -4.740 -11.630 1.00 21.35 H new ATOM 0 HD12 ILE A 19 -8.567 -6.213 -10.956 1.00 21.35 H new ATOM 0 HD13 ILE A 19 -8.993 -6.141 -12.682 1.00 21.35 H new ATOM 271 N ARG A 20 -12.707 -10.446 -10.784 1.00 70.31 N ATOM 272 CA ARG A 20 -12.914 -11.883 -10.925 1.00 15.54 C ATOM 273 C ARG A 20 -12.813 -12.306 -12.387 1.00 52.00 C ATOM 274 O ARG A 20 -13.153 -11.541 -13.291 1.00 32.41 O ATOM 275 CB ARG A 20 -14.280 -12.280 -10.361 1.00 11.41 C ATOM 276 CG ARG A 20 -14.458 -11.931 -8.892 1.00 44.33 C ATOM 277 CD ARG A 20 -15.881 -11.486 -8.593 1.00 42.15 C ATOM 278 NE ARG A 20 -16.453 -12.208 -7.461 1.00 15.04 N ATOM 279 CZ ARG A 20 -16.182 -11.920 -6.193 1.00 31.05 C ATOM 280 NH1 ARG A 20 -15.351 -10.930 -5.897 1.00 52.12 N ATOM 281 NH2 ARG A 20 -16.743 -12.623 -5.217 1.00 2.14 N ATOM 0 H ARG A 20 -13.484 -9.873 -11.113 1.00 70.31 H new ATOM 0 HA ARG A 20 -12.133 -12.395 -10.362 1.00 15.54 H new ATOM 0 HB2 ARG A 20 -15.060 -11.786 -10.940 1.00 11.41 H new ATOM 0 HB3 ARG A 20 -14.419 -13.353 -10.490 1.00 11.41 H new ATOM 0 HG2 ARG A 20 -14.210 -12.797 -8.279 1.00 44.33 H new ATOM 0 HG3 ARG A 20 -13.763 -11.137 -8.619 1.00 44.33 H new ATOM 0 HD2 ARG A 20 -15.890 -10.417 -8.383 1.00 42.15 H new ATOM 0 HD3 ARG A 20 -16.503 -11.643 -9.475 1.00 42.15 H new ATOM 0 HE ARG A 20 -17.096 -12.976 -7.654 1.00 15.04 H new ATOM 0 HH11 ARG A 20 -14.918 -10.387 -6.644 1.00 52.12 H new ATOM 0 HH12 ARG A 20 -15.145 -10.711 -4.922 1.00 52.12 H new ATOM 0 HH21 ARG A 20 -17.383 -13.385 -5.440 1.00 2.14 H new ATOM 0 HH22 ARG A 20 -16.534 -12.401 -4.244 1.00 2.14 H new ATOM 295 N LEU A 21 -12.343 -13.528 -12.612 1.00 53.14 N ATOM 296 CA LEU A 21 -12.196 -14.054 -13.965 1.00 55.33 C ATOM 297 C LEU A 21 -13.528 -14.023 -14.709 1.00 1.21 C ATOM 298 O LEU A 21 -13.565 -13.862 -15.929 1.00 11.31 O ATOM 299 CB LEU A 21 -11.657 -15.484 -13.922 1.00 24.22 C ATOM 300 CG LEU A 21 -10.384 -15.697 -13.102 1.00 3.43 C ATOM 301 CD1 LEU A 21 -10.155 -17.178 -12.845 1.00 31.10 C ATOM 302 CD2 LEU A 21 -9.184 -15.085 -13.811 1.00 32.11 C ATOM 0 H LEU A 21 -12.057 -14.173 -11.875 1.00 53.14 H new ATOM 0 HA LEU A 21 -11.487 -13.421 -14.499 1.00 55.33 H new ATOM 0 HB2 LEU A 21 -12.436 -16.133 -13.521 1.00 24.22 H new ATOM 0 HB3 LEU A 21 -11.465 -15.810 -14.944 1.00 24.22 H new ATOM 0 HG LEU A 21 -10.507 -15.198 -12.141 1.00 3.43 H new ATOM 0 HD11 LEU A 21 -9.245 -17.309 -12.260 1.00 31.10 H new ATOM 0 HD12 LEU A 21 -11.002 -17.587 -12.294 1.00 31.10 H new ATOM 0 HD13 LEU A 21 -10.054 -17.701 -13.796 1.00 31.10 H new ATOM 0 HD21 LEU A 21 -8.287 -15.246 -13.213 1.00 32.11 H new ATOM 0 HD22 LEU A 21 -9.059 -15.555 -14.786 1.00 32.11 H new ATOM 0 HD23 LEU A 21 -9.345 -14.015 -13.942 1.00 32.11 H new ATOM 314 N ARG A 22 -14.619 -14.176 -13.965 1.00 63.15 N ATOM 315 CA ARG A 22 -15.952 -14.165 -14.554 1.00 54.23 C ATOM 316 C ARG A 22 -16.947 -13.461 -13.635 1.00 65.11 C ATOM 317 O ARG A 22 -16.723 -13.315 -12.433 1.00 64.43 O ATOM 318 CB ARG A 22 -16.422 -15.594 -14.833 1.00 13.32 C ATOM 319 CG ARG A 22 -16.341 -15.987 -16.299 1.00 3.22 C ATOM 320 CD ARG A 22 -16.098 -17.479 -16.463 1.00 33.13 C ATOM 321 NE ARG A 22 -17.322 -18.255 -16.282 1.00 71.42 N ATOM 322 CZ ARG A 22 -18.266 -18.366 -17.210 1.00 51.42 C ATOM 323 NH1 ARG A 22 -18.127 -17.753 -18.378 1.00 14.22 N ATOM 324 NH2 ARG A 22 -19.352 -19.090 -16.971 1.00 64.44 N ATOM 0 H ARG A 22 -14.605 -14.309 -12.954 1.00 63.15 H new ATOM 0 HA ARG A 22 -15.901 -13.617 -15.495 1.00 54.23 H new ATOM 0 HB2 ARG A 22 -15.819 -16.287 -14.246 1.00 13.32 H new ATOM 0 HB3 ARG A 22 -17.452 -15.701 -14.493 1.00 13.32 H new ATOM 0 HG2 ARG A 22 -17.267 -15.711 -16.803 1.00 3.22 H new ATOM 0 HG3 ARG A 22 -15.537 -15.431 -16.782 1.00 3.22 H new ATOM 0 HD2 ARG A 22 -15.689 -17.673 -17.454 1.00 33.13 H new ATOM 0 HD3 ARG A 22 -15.351 -17.806 -15.740 1.00 33.13 H new ATOM 0 HE ARG A 22 -17.460 -18.738 -15.394 1.00 71.42 H new ATOM 0 HH11 ARG A 22 -17.294 -17.195 -18.565 1.00 14.22 H new ATOM 0 HH12 ARG A 22 -18.853 -17.840 -19.089 1.00 14.22 H new ATOM 0 HH21 ARG A 22 -19.463 -19.562 -16.074 1.00 64.44 H new ATOM 0 HH22 ARG A 22 -20.076 -19.174 -17.685 1.00 64.44 H new ATOM 338 N PRO A 23 -18.072 -13.013 -14.212 1.00 24.30 N ATOM 339 CA PRO A 23 -19.122 -12.318 -13.463 1.00 54.52 C ATOM 340 C PRO A 23 -19.865 -13.246 -12.508 1.00 51.31 C ATOM 341 O PRO A 23 -20.291 -12.832 -11.431 1.00 12.12 O ATOM 342 CB PRO A 23 -20.064 -11.813 -14.559 1.00 73.12 C ATOM 343 CG PRO A 23 -19.851 -12.746 -15.701 1.00 34.43 C ATOM 344 CD PRO A 23 -18.405 -13.152 -15.640 1.00 22.34 C ATOM 0 HA PRO A 23 -18.717 -11.527 -12.832 1.00 54.52 H new ATOM 0 HB2 PRO A 23 -21.102 -11.826 -14.226 1.00 73.12 H new ATOM 0 HB3 PRO A 23 -19.831 -10.785 -14.839 1.00 73.12 H new ATOM 0 HG2 PRO A 23 -20.504 -13.615 -15.622 1.00 34.43 H new ATOM 0 HG3 PRO A 23 -20.080 -12.260 -16.650 1.00 34.43 H new ATOM 0 HD2 PRO A 23 -18.260 -14.174 -15.989 1.00 22.34 H new ATOM 0 HD3 PRO A 23 -17.781 -12.511 -16.263 1.00 22.34 H new ATOM 352 N GLY A 24 -20.016 -14.504 -12.911 1.00 14.13 N ATOM 353 CA GLY A 24 -20.708 -15.471 -12.078 1.00 61.04 C ATOM 354 C GLY A 24 -19.783 -16.551 -11.554 1.00 63.20 C ATOM 355 O GLY A 24 -20.188 -17.702 -11.394 1.00 12.43 O ATOM 0 H GLY A 24 -19.672 -14.871 -13.798 1.00 14.13 H new ATOM 0 HA2 GLY A 24 -21.173 -14.955 -11.237 1.00 61.04 H new ATOM 0 HA3 GLY A 24 -21.511 -15.932 -12.653 1.00 61.04 H new ATOM 359 N GLY A 25 -18.534 -16.181 -11.287 1.00 42.33 N ATOM 360 CA GLY A 25 -17.568 -17.139 -10.783 1.00 4.32 C ATOM 361 C GLY A 25 -17.153 -16.847 -9.354 1.00 54.22 C ATOM 362 O GLY A 25 -17.556 -15.836 -8.777 1.00 24.41 O ATOM 0 H GLY A 25 -18.174 -15.235 -11.411 1.00 42.33 H new ATOM 0 HA2 GLY A 25 -17.993 -18.141 -10.837 1.00 4.32 H new ATOM 0 HA3 GLY A 25 -16.686 -17.132 -11.423 1.00 4.32 H new ATOM 366 N LYS A 26 -16.348 -17.734 -8.780 1.00 60.23 N ATOM 367 CA LYS A 26 -15.879 -17.568 -7.410 1.00 24.32 C ATOM 368 C LYS A 26 -14.358 -17.663 -7.340 1.00 42.24 C ATOM 369 O LYS A 26 -13.794 -18.021 -6.306 1.00 71.42 O ATOM 370 CB LYS A 26 -16.508 -18.627 -6.502 1.00 30.03 C ATOM 371 CG LYS A 26 -17.933 -18.303 -6.087 1.00 21.32 C ATOM 372 CD LYS A 26 -17.976 -17.600 -4.741 1.00 5.33 C ATOM 373 CE LYS A 26 -18.366 -18.556 -3.624 1.00 41.11 C ATOM 374 NZ LYS A 26 -17.632 -18.264 -2.362 1.00 4.11 N ATOM 0 H LYS A 26 -16.006 -18.576 -9.243 1.00 60.23 H new ATOM 0 HA LYS A 26 -16.180 -16.578 -7.067 1.00 24.32 H new ATOM 0 HB2 LYS A 26 -16.498 -19.588 -7.017 1.00 30.03 H new ATOM 0 HB3 LYS A 26 -15.894 -18.738 -5.608 1.00 30.03 H new ATOM 0 HG2 LYS A 26 -18.398 -17.671 -6.843 1.00 21.32 H new ATOM 0 HG3 LYS A 26 -18.516 -19.222 -6.037 1.00 21.32 H new ATOM 0 HD2 LYS A 26 -17.000 -17.166 -4.525 1.00 5.33 H new ATOM 0 HD3 LYS A 26 -18.689 -16.777 -4.782 1.00 5.33 H new ATOM 0 HE2 LYS A 26 -19.439 -18.486 -3.444 1.00 41.11 H new ATOM 0 HE3 LYS A 26 -18.161 -19.580 -3.935 1.00 41.11 H new ATOM 0 HZ1 LYS A 26 -17.926 -18.937 -1.626 1.00 4.11 H new ATOM 0 HZ2 LYS A 26 -16.609 -18.355 -2.526 1.00 4.11 H new ATOM 0 HZ3 LYS A 26 -17.848 -17.295 -2.051 1.00 4.11 H new ATOM 388 N LYS A 27 -13.698 -17.338 -8.447 1.00 52.30 N ATOM 389 CA LYS A 27 -12.242 -17.383 -8.512 1.00 13.12 C ATOM 390 C LYS A 27 -11.672 -16.022 -8.898 1.00 52.13 C ATOM 391 O LYS A 27 -11.509 -15.721 -10.080 1.00 52.03 O ATOM 392 CB LYS A 27 -11.789 -18.442 -9.519 1.00 23.32 C ATOM 393 CG LYS A 27 -10.414 -19.016 -9.220 1.00 74.24 C ATOM 394 CD LYS A 27 -10.192 -20.335 -9.942 1.00 41.42 C ATOM 395 CE LYS A 27 -8.786 -20.427 -10.514 1.00 44.42 C ATOM 396 NZ LYS A 27 -8.412 -21.830 -10.844 1.00 5.31 N ATOM 0 H LYS A 27 -14.149 -17.040 -9.312 1.00 52.30 H new ATOM 0 HA LYS A 27 -11.867 -17.647 -7.523 1.00 13.12 H new ATOM 0 HB2 LYS A 27 -12.517 -19.253 -9.533 1.00 23.32 H new ATOM 0 HB3 LYS A 27 -11.781 -18.003 -10.517 1.00 23.32 H new ATOM 0 HG2 LYS A 27 -9.647 -18.302 -9.521 1.00 74.24 H new ATOM 0 HG3 LYS A 27 -10.307 -19.166 -8.146 1.00 74.24 H new ATOM 0 HD2 LYS A 27 -10.360 -21.162 -9.252 1.00 41.42 H new ATOM 0 HD3 LYS A 27 -10.921 -20.438 -10.746 1.00 41.42 H new ATOM 0 HE2 LYS A 27 -8.718 -19.812 -11.412 1.00 44.42 H new ATOM 0 HE3 LYS A 27 -8.074 -20.021 -9.795 1.00 44.42 H new ATOM 0 HZ1 LYS A 27 -7.798 -21.837 -11.684 1.00 5.31 H new ATOM 0 HZ2 LYS A 27 -7.904 -22.252 -10.040 1.00 5.31 H new ATOM 0 HZ3 LYS A 27 -9.272 -22.382 -11.039 1.00 5.31 H new ATOM 410 N GLN A 28 -11.370 -15.205 -7.894 1.00 73.12 N ATOM 411 CA GLN A 28 -10.818 -13.877 -8.131 1.00 4.34 C ATOM 412 C GLN A 28 -9.528 -13.960 -8.941 1.00 11.23 C ATOM 413 O GLN A 28 -9.034 -15.050 -9.229 1.00 43.13 O ATOM 414 CB GLN A 28 -10.554 -13.167 -6.801 1.00 40.04 C ATOM 415 CG GLN A 28 -11.726 -13.229 -5.836 1.00 14.13 C ATOM 416 CD GLN A 28 -11.634 -12.188 -4.738 1.00 5.24 C ATOM 417 OE1 GLN A 28 -12.232 -11.116 -4.830 1.00 55.02 O ATOM 418 NE2 GLN A 28 -10.880 -12.498 -3.689 1.00 71.52 N ATOM 0 H GLN A 28 -11.498 -15.439 -6.910 1.00 73.12 H new ATOM 0 HA GLN A 28 -11.548 -13.304 -8.703 1.00 4.34 H new ATOM 0 HB2 GLN A 28 -9.680 -13.614 -6.327 1.00 40.04 H new ATOM 0 HB3 GLN A 28 -10.311 -12.123 -6.998 1.00 40.04 H new ATOM 0 HG2 GLN A 28 -12.655 -13.087 -6.389 1.00 14.13 H new ATOM 0 HG3 GLN A 28 -11.770 -14.221 -5.388 1.00 14.13 H new ATOM 0 HE21 GLN A 28 -10.401 -13.398 -3.653 1.00 71.52 H new ATOM 0 HE22 GLN A 28 -10.780 -11.836 -2.920 1.00 71.52 H new ATOM 427 N TYR A 29 -8.989 -12.802 -9.305 1.00 4.12 N ATOM 428 CA TYR A 29 -7.758 -12.744 -10.084 1.00 43.24 C ATOM 429 C TYR A 29 -6.534 -12.808 -9.176 1.00 1.13 C ATOM 430 O TYR A 29 -6.572 -12.360 -8.029 1.00 71.34 O ATOM 431 CB TYR A 29 -7.719 -11.464 -10.921 1.00 11.10 C ATOM 432 CG TYR A 29 -8.131 -11.669 -12.361 1.00 64.34 C ATOM 433 CD1 TYR A 29 -7.248 -12.216 -13.285 1.00 33.30 C ATOM 434 CD2 TYR A 29 -9.401 -11.316 -12.799 1.00 1.30 C ATOM 435 CE1 TYR A 29 -7.619 -12.405 -14.602 1.00 74.32 C ATOM 436 CE2 TYR A 29 -9.781 -11.502 -14.114 1.00 32.52 C ATOM 437 CZ TYR A 29 -8.887 -12.047 -15.012 1.00 20.34 C ATOM 438 OH TYR A 29 -9.261 -12.234 -16.323 1.00 15.44 O ATOM 0 H TYR A 29 -9.385 -11.891 -9.073 1.00 4.12 H new ATOM 0 HA TYR A 29 -7.739 -13.607 -10.750 1.00 43.24 H new ATOM 0 HB2 TYR A 29 -8.376 -10.722 -10.466 1.00 11.10 H new ATOM 0 HB3 TYR A 29 -6.709 -11.054 -10.896 1.00 11.10 H new ATOM 0 HD1 TYR A 29 -6.255 -12.498 -12.968 1.00 33.30 H new ATOM 0 HD2 TYR A 29 -10.104 -10.889 -12.099 1.00 1.30 H new ATOM 0 HE1 TYR A 29 -6.920 -12.831 -15.307 1.00 74.32 H new ATOM 0 HE2 TYR A 29 -10.773 -11.222 -14.437 1.00 32.52 H new ATOM 0 HH TYR A 29 -10.226 -12.086 -16.412 1.00 15.44 H new ATOM 448 N LYS A 30 -5.447 -13.368 -9.697 1.00 13.24 N ATOM 449 CA LYS A 30 -4.209 -13.490 -8.936 1.00 35.32 C ATOM 450 C LYS A 30 -2.995 -13.389 -9.853 1.00 2.42 C ATOM 451 O LYS A 30 -3.115 -13.497 -11.074 1.00 32.31 O ATOM 452 CB LYS A 30 -4.181 -14.820 -8.180 1.00 20.54 C ATOM 453 CG LYS A 30 -3.950 -14.666 -6.686 1.00 63.44 C ATOM 454 CD LYS A 30 -3.363 -15.930 -6.080 1.00 31.03 C ATOM 455 CE LYS A 30 -2.864 -15.689 -4.663 1.00 51.53 C ATOM 456 NZ LYS A 30 -1.652 -16.497 -4.357 1.00 24.00 N ATOM 0 H LYS A 30 -5.399 -13.745 -10.644 1.00 13.24 H new ATOM 0 HA LYS A 30 -4.170 -12.670 -8.219 1.00 35.32 H new ATOM 0 HB2 LYS A 30 -5.125 -15.340 -8.341 1.00 20.54 H new ATOM 0 HB3 LYS A 30 -3.395 -15.449 -8.598 1.00 20.54 H new ATOM 0 HG2 LYS A 30 -3.277 -13.828 -6.505 1.00 63.44 H new ATOM 0 HG3 LYS A 30 -4.893 -14.429 -6.193 1.00 63.44 H new ATOM 0 HD2 LYS A 30 -4.118 -16.716 -6.072 1.00 31.03 H new ATOM 0 HD3 LYS A 30 -2.541 -16.285 -6.701 1.00 31.03 H new ATOM 0 HE2 LYS A 30 -2.637 -14.631 -4.533 1.00 51.53 H new ATOM 0 HE3 LYS A 30 -3.654 -15.935 -3.953 1.00 51.53 H new ATOM 0 HZ1 LYS A 30 -1.343 -16.304 -3.383 1.00 24.00 H new ATOM 0 HZ2 LYS A 30 -1.875 -17.508 -4.456 1.00 24.00 H new ATOM 0 HZ3 LYS A 30 -0.890 -16.244 -5.018 1.00 24.00 H new ATOM 470 N LEU A 31 -1.826 -13.181 -9.257 1.00 64.14 N ATOM 471 CA LEU A 31 -0.588 -13.067 -10.021 1.00 2.40 C ATOM 472 C LEU A 31 -0.421 -14.250 -10.969 1.00 31.14 C ATOM 473 O LEU A 31 0.179 -14.125 -12.037 1.00 14.14 O ATOM 474 CB LEU A 31 0.612 -12.983 -9.076 1.00 12.54 C ATOM 475 CG LEU A 31 0.645 -11.774 -8.139 1.00 31.41 C ATOM 476 CD1 LEU A 31 1.785 -11.904 -7.141 1.00 1.30 C ATOM 477 CD2 LEU A 31 0.775 -10.485 -8.936 1.00 42.22 C ATOM 0 H LEU A 31 -1.709 -13.088 -8.248 1.00 64.14 H new ATOM 0 HA LEU A 31 -0.640 -12.154 -10.615 1.00 2.40 H new ATOM 0 HB2 LEU A 31 0.636 -13.888 -8.469 1.00 12.54 H new ATOM 0 HB3 LEU A 31 1.522 -12.977 -9.676 1.00 12.54 H new ATOM 0 HG LEU A 31 -0.293 -11.741 -7.585 1.00 31.41 H new ATOM 0 HD11 LEU A 31 1.793 -11.035 -6.483 1.00 1.30 H new ATOM 0 HD12 LEU A 31 1.648 -12.808 -6.547 1.00 1.30 H new ATOM 0 HD13 LEU A 31 2.733 -11.962 -7.677 1.00 1.30 H new ATOM 0 HD21 LEU A 31 0.797 -9.636 -8.253 1.00 42.22 H new ATOM 0 HD22 LEU A 31 1.697 -10.508 -9.517 1.00 42.22 H new ATOM 0 HD23 LEU A 31 -0.076 -10.387 -9.610 1.00 42.22 H new ATOM 489 N LYS A 32 -0.957 -15.399 -10.572 1.00 35.22 N ATOM 490 CA LYS A 32 -0.872 -16.606 -11.386 1.00 50.42 C ATOM 491 C LYS A 32 -1.352 -16.337 -12.809 1.00 3.30 C ATOM 492 O LYS A 32 -0.803 -16.874 -13.772 1.00 2.42 O ATOM 493 CB LYS A 32 -1.703 -17.728 -10.760 1.00 63.22 C ATOM 494 CG LYS A 32 -0.878 -18.721 -9.960 1.00 21.30 C ATOM 495 CD LYS A 32 -1.177 -18.625 -8.473 1.00 50.34 C ATOM 496 CE LYS A 32 -0.063 -19.240 -7.640 1.00 14.44 C ATOM 497 NZ LYS A 32 -0.061 -20.726 -7.728 1.00 65.20 N ATOM 0 H LYS A 32 -1.456 -15.520 -9.690 1.00 35.22 H new ATOM 0 HA LYS A 32 0.173 -16.915 -11.425 1.00 50.42 H new ATOM 0 HB2 LYS A 32 -2.459 -17.289 -10.109 1.00 63.22 H new ATOM 0 HB3 LYS A 32 -2.232 -18.261 -11.550 1.00 63.22 H new ATOM 0 HG2 LYS A 32 -1.086 -19.732 -10.309 1.00 21.30 H new ATOM 0 HG3 LYS A 32 0.182 -18.536 -10.131 1.00 21.30 H new ATOM 0 HD2 LYS A 32 -1.307 -17.579 -8.194 1.00 50.34 H new ATOM 0 HD3 LYS A 32 -2.117 -19.132 -8.256 1.00 50.34 H new ATOM 0 HE2 LYS A 32 0.899 -18.855 -7.979 1.00 14.44 H new ATOM 0 HE3 LYS A 32 -0.179 -18.938 -6.599 1.00 14.44 H new ATOM 0 HZ1 LYS A 32 0.713 -21.107 -7.147 1.00 65.20 H new ATOM 0 HZ2 LYS A 32 -0.969 -21.096 -7.381 1.00 65.20 H new ATOM 0 HZ3 LYS A 32 0.075 -21.015 -8.718 1.00 65.20 H new ATOM 511 N HIS A 33 -2.378 -15.501 -12.935 1.00 31.42 N ATOM 512 CA HIS A 33 -2.931 -15.159 -14.241 1.00 63.10 C ATOM 513 C HIS A 33 -2.043 -14.144 -14.956 1.00 72.32 C ATOM 514 O HIS A 33 -1.954 -14.236 -16.181 1.00 0.50 O ATOM 515 CB HIS A 33 -4.345 -14.599 -14.089 1.00 53.45 C ATOM 516 CG HIS A 33 -5.217 -15.412 -13.183 1.00 13.24 C ATOM 517 ND1 HIS A 33 -5.985 -14.858 -12.180 1.00 51.45 N ATOM 518 CD2 HIS A 33 -5.441 -16.746 -13.132 1.00 13.35 C ATOM 519 CE1 HIS A 33 -6.643 -15.816 -11.552 1.00 2.50 C ATOM 520 NE2 HIS A 33 -6.331 -16.971 -12.111 1.00 24.13 N ATOM 0 H HIS A 33 -2.843 -15.048 -12.149 1.00 31.42 H new ATOM 0 HA HIS A 33 -2.972 -16.068 -14.841 1.00 63.10 H new ATOM 0 HB2 HIS A 33 -4.284 -13.581 -13.704 1.00 53.45 H new ATOM 0 HB3 HIS A 33 -4.811 -14.541 -15.072 1.00 53.45 H new ATOM 0 HD2 HIS A 33 -5.001 -17.494 -13.775 1.00 13.35 H new ATOM 0 HE1 HIS A 33 -7.321 -15.678 -10.723 1.00 2.50 H new ATOM 0 HE2 HIS A 33 -6.693 -17.882 -11.830 1.00 24.13 H new ATOM 528 N ILE A 34 -1.408 -13.214 -14.251 1.00 72.13 N ATOM 529 CA ILE A 34 -0.550 -12.225 -14.891 1.00 25.11 C ATOM 530 C ILE A 34 0.696 -12.878 -15.481 1.00 1.25 C ATOM 531 O ILE A 34 1.172 -12.484 -16.546 1.00 35.03 O ATOM 532 CB ILE A 34 -0.120 -11.127 -13.900 1.00 20.32 C ATOM 533 CG1 ILE A 34 -1.341 -10.557 -13.176 1.00 14.01 C ATOM 534 CG2 ILE A 34 0.635 -10.024 -14.626 1.00 61.10 C ATOM 535 CD1 ILE A 34 -0.993 -9.533 -12.118 1.00 54.14 C ATOM 0 H ILE A 34 -1.471 -13.125 -13.237 1.00 72.13 H new ATOM 0 HA ILE A 34 -1.134 -11.772 -15.692 1.00 25.11 H new ATOM 0 HB ILE A 34 0.546 -11.568 -13.158 1.00 20.32 H new ATOM 0 HG12 ILE A 34 -2.006 -10.099 -13.908 1.00 14.01 H new ATOM 0 HG13 ILE A 34 -1.892 -11.375 -12.711 1.00 14.01 H new ATOM 0 HG21 ILE A 34 0.932 -9.256 -13.912 1.00 61.10 H new ATOM 0 HG22 ILE A 34 1.523 -10.442 -15.100 1.00 61.10 H new ATOM 0 HG23 ILE A 34 -0.008 -9.583 -15.387 1.00 61.10 H new ATOM 0 HD11 ILE A 34 -1.907 -9.172 -11.646 1.00 54.14 H new ATOM 0 HD12 ILE A 34 -0.352 -9.991 -11.365 1.00 54.14 H new ATOM 0 HD13 ILE A 34 -0.468 -8.697 -12.580 1.00 54.14 H new ATOM 547 N VAL A 35 1.220 -13.880 -14.781 1.00 40.43 N ATOM 548 CA VAL A 35 2.409 -14.590 -15.236 1.00 41.15 C ATOM 549 C VAL A 35 2.057 -15.631 -16.293 1.00 53.54 C ATOM 550 O VAL A 35 2.804 -15.836 -17.250 1.00 20.23 O ATOM 551 CB VAL A 35 3.129 -15.286 -14.066 1.00 63.14 C ATOM 552 CG1 VAL A 35 4.347 -16.048 -14.566 1.00 45.42 C ATOM 553 CG2 VAL A 35 3.524 -14.271 -13.004 1.00 53.14 C ATOM 0 H VAL A 35 0.839 -14.218 -13.897 1.00 40.43 H new ATOM 0 HA VAL A 35 3.075 -13.845 -15.672 1.00 41.15 H new ATOM 0 HB VAL A 35 2.443 -16.002 -13.614 1.00 63.14 H new ATOM 0 HG11 VAL A 35 4.843 -16.533 -13.725 1.00 45.42 H new ATOM 0 HG12 VAL A 35 4.033 -16.803 -15.287 1.00 45.42 H new ATOM 0 HG13 VAL A 35 5.039 -15.355 -15.044 1.00 45.42 H new ATOM 0 HG21 VAL A 35 4.032 -14.780 -12.185 1.00 53.14 H new ATOM 0 HG22 VAL A 35 4.193 -13.529 -13.440 1.00 53.14 H new ATOM 0 HG23 VAL A 35 2.631 -13.775 -12.625 1.00 53.14 H new ATOM 563 N TRP A 36 0.914 -16.283 -16.115 1.00 22.55 N ATOM 564 CA TRP A 36 0.462 -17.303 -17.054 1.00 31.51 C ATOM 565 C TRP A 36 0.336 -16.730 -18.461 1.00 71.10 C ATOM 566 O TRP A 36 0.577 -17.425 -19.448 1.00 4.42 O ATOM 567 CB TRP A 36 -0.881 -17.882 -16.603 1.00 45.33 C ATOM 568 CG TRP A 36 -1.489 -18.820 -17.602 1.00 5.42 C ATOM 569 CD1 TRP A 36 -1.457 -20.185 -17.569 1.00 43.53 C ATOM 570 CD2 TRP A 36 -2.217 -18.461 -18.781 1.00 61.22 C ATOM 571 NE1 TRP A 36 -2.121 -20.696 -18.658 1.00 34.34 N ATOM 572 CE2 TRP A 36 -2.598 -19.660 -19.416 1.00 2.22 C ATOM 573 CE3 TRP A 36 -2.586 -17.245 -19.362 1.00 32.02 C ATOM 574 CZ2 TRP A 36 -3.328 -19.675 -20.601 1.00 42.53 C ATOM 575 CZ3 TRP A 36 -3.311 -17.261 -20.539 1.00 25.45 C ATOM 576 CH2 TRP A 36 -3.676 -18.469 -21.148 1.00 22.23 C ATOM 0 H TRP A 36 0.283 -16.124 -15.329 1.00 22.55 H new ATOM 0 HA TRP A 36 1.205 -18.100 -17.072 1.00 31.51 H new ATOM 0 HB2 TRP A 36 -0.743 -18.408 -15.658 1.00 45.33 H new ATOM 0 HB3 TRP A 36 -1.576 -17.064 -16.414 1.00 45.33 H new ATOM 0 HD1 TRP A 36 -0.980 -20.775 -16.801 1.00 43.53 H new ATOM 0 HE1 TRP A 36 -2.240 -21.687 -18.868 1.00 34.34 H new ATOM 0 HE3 TRP A 36 -2.310 -16.309 -18.900 1.00 32.02 H new ATOM 0 HZ2 TRP A 36 -3.610 -20.605 -21.072 1.00 42.53 H new ATOM 0 HZ3 TRP A 36 -3.601 -16.327 -20.997 1.00 25.45 H new ATOM 0 HH2 TRP A 36 -4.243 -18.448 -22.067 1.00 22.23 H new ATOM 587 N ALA A 37 -0.043 -15.459 -18.546 1.00 33.22 N ATOM 588 CA ALA A 37 -0.199 -14.793 -19.833 1.00 2.33 C ATOM 589 C ALA A 37 1.141 -14.281 -20.351 1.00 71.25 C ATOM 590 O ALA A 37 1.374 -14.237 -21.559 1.00 72.44 O ATOM 591 CB ALA A 37 -1.194 -13.648 -19.717 1.00 52.22 C ATOM 0 H ALA A 37 -0.248 -14.870 -17.739 1.00 33.22 H new ATOM 0 HA ALA A 37 -0.582 -15.521 -20.548 1.00 2.33 H new ATOM 0 HB1 ALA A 37 -1.301 -13.159 -20.685 1.00 52.22 H new ATOM 0 HB2 ALA A 37 -2.161 -14.037 -19.398 1.00 52.22 H new ATOM 0 HB3 ALA A 37 -0.834 -12.926 -18.984 1.00 52.22 H new ATOM 597 N SER A 38 2.018 -13.894 -19.431 1.00 21.52 N ATOM 598 CA SER A 38 3.333 -13.381 -19.796 1.00 23.41 C ATOM 599 C SER A 38 4.161 -14.456 -20.495 1.00 55.34 C ATOM 600 O SER A 38 4.930 -14.164 -21.411 1.00 1.10 O ATOM 601 CB SER A 38 4.072 -12.881 -18.553 1.00 62.50 C ATOM 602 OG SER A 38 4.163 -11.467 -18.548 1.00 35.32 O ATOM 0 H SER A 38 1.842 -13.926 -18.427 1.00 21.52 H new ATOM 0 HA SER A 38 3.192 -12.549 -20.486 1.00 23.41 H new ATOM 0 HB2 SER A 38 3.552 -13.218 -17.657 1.00 62.50 H new ATOM 0 HB3 SER A 38 5.072 -13.313 -18.522 1.00 62.50 H new ATOM 0 HG SER A 38 4.638 -11.173 -17.743 1.00 35.32 H new ATOM 608 N ARG A 39 3.996 -15.699 -20.057 1.00 32.40 N ATOM 609 CA ARG A 39 4.727 -16.818 -20.639 1.00 44.02 C ATOM 610 C ARG A 39 4.073 -17.279 -21.938 1.00 54.21 C ATOM 611 O ARG A 39 4.733 -17.840 -22.811 1.00 71.35 O ATOM 612 CB ARG A 39 4.795 -17.982 -19.649 1.00 12.23 C ATOM 613 CG ARG A 39 5.957 -17.885 -18.673 1.00 74.14 C ATOM 614 CD ARG A 39 5.930 -19.019 -17.661 1.00 32.22 C ATOM 615 NE ARG A 39 7.151 -19.819 -17.703 1.00 32.43 N ATOM 616 CZ ARG A 39 7.485 -20.699 -16.766 1.00 23.44 C ATOM 617 NH1 ARG A 39 6.694 -20.891 -15.719 1.00 62.52 N ATOM 618 NH2 ARG A 39 8.613 -21.390 -16.874 1.00 42.24 N ATOM 0 H ARG A 39 3.362 -15.957 -19.301 1.00 32.40 H new ATOM 0 HA ARG A 39 5.739 -16.480 -20.862 1.00 44.02 H new ATOM 0 HB2 ARG A 39 3.862 -18.025 -19.087 1.00 12.23 H new ATOM 0 HB3 ARG A 39 4.875 -18.916 -20.205 1.00 12.23 H new ATOM 0 HG2 ARG A 39 6.898 -17.909 -19.222 1.00 74.14 H new ATOM 0 HG3 ARG A 39 5.916 -16.929 -18.151 1.00 74.14 H new ATOM 0 HD2 ARG A 39 5.800 -18.608 -16.660 1.00 32.22 H new ATOM 0 HD3 ARG A 39 5.070 -19.659 -17.857 1.00 32.22 H new ATOM 0 HE ARG A 39 7.782 -19.695 -18.495 1.00 32.43 H new ATOM 0 HH11 ARG A 39 5.826 -20.362 -15.632 1.00 62.52 H new ATOM 0 HH12 ARG A 39 6.953 -21.568 -15.001 1.00 62.52 H new ATOM 0 HH21 ARG A 39 9.225 -21.246 -17.677 1.00 42.24 H new ATOM 0 HH22 ARG A 39 8.868 -22.065 -16.154 1.00 42.24 H new ATOM 632 N GLU A 40 2.771 -17.037 -22.057 1.00 33.43 N ATOM 633 CA GLU A 40 2.027 -17.429 -23.248 1.00 63.24 C ATOM 634 C GLU A 40 2.168 -16.379 -24.347 1.00 34.31 C ATOM 635 O GLU A 40 2.053 -16.687 -25.534 1.00 55.01 O ATOM 636 CB GLU A 40 0.549 -17.635 -22.910 1.00 3.20 C ATOM 637 CG GLU A 40 -0.164 -18.590 -23.852 1.00 42.45 C ATOM 638 CD GLU A 40 -0.068 -20.034 -23.402 1.00 65.42 C ATOM 639 OE1 GLU A 40 -0.555 -20.344 -22.295 1.00 10.44 O ATOM 640 OE2 GLU A 40 0.495 -20.855 -24.156 1.00 61.33 O ATOM 0 H GLU A 40 2.210 -16.572 -21.343 1.00 33.43 H new ATOM 0 HA GLU A 40 2.442 -18.369 -23.611 1.00 63.24 H new ATOM 0 HB2 GLU A 40 0.468 -18.015 -21.891 1.00 3.20 H new ATOM 0 HB3 GLU A 40 0.042 -16.670 -22.932 1.00 3.20 H new ATOM 0 HG2 GLU A 40 -1.214 -18.305 -23.926 1.00 42.45 H new ATOM 0 HG3 GLU A 40 0.263 -18.496 -24.851 1.00 42.45 H new ATOM 647 N LEU A 41 2.416 -15.139 -23.943 1.00 2.53 N ATOM 648 CA LEU A 41 2.572 -14.041 -24.892 1.00 30.45 C ATOM 649 C LEU A 41 3.868 -14.186 -25.683 1.00 73.02 C ATOM 650 O LEU A 41 3.870 -14.088 -26.910 1.00 4.22 O ATOM 651 CB LEU A 41 2.557 -12.700 -24.157 1.00 53.30 C ATOM 652 CG LEU A 41 1.202 -11.995 -24.075 1.00 3.21 C ATOM 653 CD1 LEU A 41 1.319 -10.706 -23.275 1.00 73.44 C ATOM 654 CD2 LEU A 41 0.663 -11.712 -25.469 1.00 72.35 C ATOM 0 H LEU A 41 2.514 -14.868 -22.965 1.00 2.53 H new ATOM 0 HA LEU A 41 1.736 -14.075 -25.590 1.00 30.45 H new ATOM 0 HB2 LEU A 41 2.923 -12.860 -23.143 1.00 53.30 H new ATOM 0 HB3 LEU A 41 3.263 -12.031 -24.649 1.00 53.30 H new ATOM 0 HG LEU A 41 0.501 -12.654 -23.563 1.00 3.21 H new ATOM 0 HD11 LEU A 41 0.346 -10.218 -23.227 1.00 73.44 H new ATOM 0 HD12 LEU A 41 1.661 -10.934 -22.265 1.00 73.44 H new ATOM 0 HD13 LEU A 41 2.035 -10.041 -23.759 1.00 73.44 H new ATOM 0 HD21 LEU A 41 -0.302 -11.210 -25.391 1.00 72.35 H new ATOM 0 HD22 LEU A 41 1.363 -11.072 -26.007 1.00 72.35 H new ATOM 0 HD23 LEU A 41 0.541 -12.651 -26.009 1.00 72.35 H new ATOM 666 N GLU A 42 4.966 -14.422 -24.973 1.00 2.13 N ATOM 667 CA GLU A 42 6.268 -14.582 -25.610 1.00 51.52 C ATOM 668 C GLU A 42 6.227 -15.688 -26.660 1.00 64.03 C ATOM 669 O GLU A 42 7.010 -15.686 -27.610 1.00 43.44 O ATOM 670 CB GLU A 42 7.338 -14.896 -24.563 1.00 63.01 C ATOM 671 CG GLU A 42 8.678 -15.290 -25.162 1.00 3.33 C ATOM 672 CD GLU A 42 9.785 -15.350 -24.126 1.00 54.24 C ATOM 673 OE1 GLU A 42 9.543 -15.896 -23.030 1.00 61.41 O ATOM 674 OE2 GLU A 42 10.893 -14.850 -24.413 1.00 54.15 O ATOM 0 H GLU A 42 4.980 -14.507 -23.957 1.00 2.13 H new ATOM 0 HA GLU A 42 6.520 -13.644 -26.105 1.00 51.52 H new ATOM 0 HB2 GLU A 42 7.477 -14.023 -23.925 1.00 63.01 H new ATOM 0 HB3 GLU A 42 6.983 -15.705 -23.924 1.00 63.01 H new ATOM 0 HG2 GLU A 42 8.584 -16.263 -25.645 1.00 3.33 H new ATOM 0 HG3 GLU A 42 8.950 -14.574 -25.938 1.00 3.33 H new ATOM 681 N ARG A 43 5.310 -16.632 -26.481 1.00 73.50 N ATOM 682 CA ARG A 43 5.168 -17.746 -27.411 1.00 73.11 C ATOM 683 C ARG A 43 4.544 -17.282 -28.724 1.00 13.11 C ATOM 684 O ARG A 43 4.765 -17.883 -29.775 1.00 41.14 O ATOM 685 CB ARG A 43 4.312 -18.851 -26.790 1.00 35.22 C ATOM 686 CG ARG A 43 5.116 -20.051 -26.315 1.00 53.52 C ATOM 687 CD ARG A 43 4.318 -21.340 -26.437 1.00 41.50 C ATOM 688 NE ARG A 43 5.148 -22.520 -26.213 1.00 22.05 N ATOM 689 CZ ARG A 43 5.960 -23.033 -27.130 1.00 45.41 C ATOM 690 NH1 ARG A 43 6.052 -22.471 -28.328 1.00 13.24 N ATOM 691 NH2 ARG A 43 6.684 -24.109 -26.850 1.00 61.15 N ATOM 0 H ARG A 43 4.654 -16.648 -25.700 1.00 73.50 H new ATOM 0 HA ARG A 43 6.162 -18.140 -27.620 1.00 73.11 H new ATOM 0 HB2 ARG A 43 3.758 -18.439 -25.947 1.00 35.22 H new ATOM 0 HB3 ARG A 43 3.577 -19.184 -27.522 1.00 35.22 H new ATOM 0 HG2 ARG A 43 6.032 -20.132 -26.901 1.00 53.52 H new ATOM 0 HG3 ARG A 43 5.414 -19.903 -25.277 1.00 53.52 H new ATOM 0 HD2 ARG A 43 3.500 -21.330 -25.716 1.00 41.50 H new ATOM 0 HD3 ARG A 43 3.868 -21.396 -27.428 1.00 41.50 H new ATOM 0 HE ARG A 43 5.102 -22.976 -25.302 1.00 22.05 H new ATOM 0 HH11 ARG A 43 5.498 -21.643 -28.547 1.00 13.24 H new ATOM 0 HH12 ARG A 43 6.677 -22.867 -29.031 1.00 13.24 H new ATOM 0 HH21 ARG A 43 6.617 -24.543 -25.929 1.00 61.15 H new ATOM 0 HH22 ARG A 43 7.307 -24.502 -27.555 1.00 61.15 H new ATOM 705 N PHE A 44 3.762 -16.209 -28.655 1.00 25.11 N ATOM 706 CA PHE A 44 3.105 -15.665 -29.837 1.00 50.13 C ATOM 707 C PHE A 44 3.920 -14.522 -30.435 1.00 62.15 C ATOM 708 O PHE A 44 3.372 -13.617 -31.064 1.00 1.15 O ATOM 709 CB PHE A 44 1.699 -15.174 -29.485 1.00 5.43 C ATOM 710 CG PHE A 44 0.695 -16.282 -29.342 1.00 44.52 C ATOM 711 CD1 PHE A 44 0.868 -17.273 -28.390 1.00 64.00 C ATOM 712 CD2 PHE A 44 -0.421 -16.332 -30.161 1.00 14.31 C ATOM 713 CE1 PHE A 44 -0.054 -18.294 -28.256 1.00 1.20 C ATOM 714 CE2 PHE A 44 -1.347 -17.350 -30.031 1.00 52.42 C ATOM 715 CZ PHE A 44 -1.163 -18.333 -29.079 1.00 4.55 C ATOM 0 H PHE A 44 3.568 -15.700 -27.793 1.00 25.11 H new ATOM 0 HA PHE A 44 3.030 -16.461 -30.578 1.00 50.13 H new ATOM 0 HB2 PHE A 44 1.742 -14.611 -28.553 1.00 5.43 H new ATOM 0 HB3 PHE A 44 1.360 -14.485 -30.258 1.00 5.43 H new ATOM 0 HD1 PHE A 44 1.734 -17.248 -27.745 1.00 64.00 H new ATOM 0 HD2 PHE A 44 -0.569 -15.567 -30.909 1.00 14.31 H new ATOM 0 HE1 PHE A 44 0.092 -19.060 -27.509 1.00 1.20 H new ATOM 0 HE2 PHE A 44 -2.214 -17.376 -30.674 1.00 52.42 H new ATOM 0 HZ PHE A 44 -1.884 -19.130 -28.978 1.00 4.55 H new ATOM 725 N ALA A 45 5.233 -14.572 -30.235 1.00 0.53 N ATOM 726 CA ALA A 45 6.125 -13.542 -30.755 1.00 34.33 C ATOM 727 C ALA A 45 5.831 -12.188 -30.118 1.00 31.45 C ATOM 728 O ALA A 45 6.183 -11.144 -30.665 1.00 50.33 O ATOM 729 CB ALA A 45 6.001 -13.453 -32.269 1.00 25.14 C ATOM 0 H ALA A 45 5.703 -15.314 -29.717 1.00 0.53 H new ATOM 0 HA ALA A 45 7.148 -13.819 -30.500 1.00 34.33 H new ATOM 0 HB1 ALA A 45 6.672 -12.680 -32.644 1.00 25.14 H new ATOM 0 HB2 ALA A 45 6.268 -14.412 -32.713 1.00 25.14 H new ATOM 0 HB3 ALA A 45 4.974 -13.203 -32.536 1.00 25.14 H new ATOM 735 N VAL A 46 5.183 -12.214 -28.957 1.00 51.21 N ATOM 736 CA VAL A 46 4.842 -10.988 -28.245 1.00 30.00 C ATOM 737 C VAL A 46 5.513 -10.943 -26.877 1.00 2.51 C ATOM 738 O VAL A 46 5.216 -11.754 -26.001 1.00 64.25 O ATOM 739 CB VAL A 46 3.319 -10.850 -28.062 1.00 72.21 C ATOM 740 CG1 VAL A 46 2.987 -9.588 -27.282 1.00 14.43 C ATOM 741 CG2 VAL A 46 2.618 -10.852 -29.412 1.00 62.24 C ATOM 0 H VAL A 46 4.884 -13.070 -28.490 1.00 51.21 H new ATOM 0 HA VAL A 46 5.204 -10.158 -28.852 1.00 30.00 H new ATOM 0 HB VAL A 46 2.960 -11.706 -27.491 1.00 72.21 H new ATOM 0 HG11 VAL A 46 1.907 -9.508 -27.163 1.00 14.43 H new ATOM 0 HG12 VAL A 46 3.458 -9.633 -26.300 1.00 14.43 H new ATOM 0 HG13 VAL A 46 3.358 -8.718 -27.823 1.00 14.43 H new ATOM 0 HG21 VAL A 46 1.543 -10.754 -29.264 1.00 62.24 H new ATOM 0 HG22 VAL A 46 2.980 -10.016 -30.011 1.00 62.24 H new ATOM 0 HG23 VAL A 46 2.829 -11.788 -29.930 1.00 62.24 H new ATOM 751 N ASN A 47 6.420 -9.987 -26.700 1.00 52.22 N ATOM 752 CA ASN A 47 7.134 -9.835 -25.438 1.00 1.12 C ATOM 753 C ASN A 47 6.170 -9.498 -24.304 1.00 71.33 C ATOM 754 O ASN A 47 5.184 -8.784 -24.486 1.00 73.24 O ATOM 755 CB ASN A 47 8.198 -8.742 -25.558 1.00 65.43 C ATOM 756 CG ASN A 47 8.945 -8.806 -26.877 1.00 2.32 C ATOM 757 OD1 ASN A 47 8.912 -7.863 -27.668 1.00 13.13 O ATOM 758 ND2 ASN A 47 9.624 -9.921 -27.119 1.00 71.12 N ATOM 0 H ASN A 47 6.677 -9.306 -27.415 1.00 52.22 H new ATOM 0 HA ASN A 47 7.620 -10.783 -25.209 1.00 1.12 H new ATOM 0 HB2 ASN A 47 7.725 -7.765 -25.458 1.00 65.43 H new ATOM 0 HB3 ASN A 47 8.908 -8.838 -24.736 1.00 65.43 H new ATOM 0 HD21 ASN A 47 10.146 -10.021 -27.989 1.00 71.12 H new ATOM 0 HD22 ASN A 47 9.623 -10.677 -26.435 1.00 71.12 H new ATOM 765 N PRO A 48 6.460 -10.024 -23.105 1.00 4.42 N ATOM 766 CA PRO A 48 5.632 -9.792 -21.918 1.00 4.24 C ATOM 767 C PRO A 48 5.724 -8.354 -21.419 1.00 14.30 C ATOM 768 O PRO A 48 4.970 -7.943 -20.538 1.00 10.04 O ATOM 769 CB PRO A 48 6.219 -10.755 -20.882 1.00 50.15 C ATOM 770 CG PRO A 48 7.630 -10.961 -21.313 1.00 41.44 C ATOM 771 CD PRO A 48 7.620 -10.884 -22.815 1.00 51.11 C ATOM 0 HA PRO A 48 4.574 -9.956 -22.121 1.00 4.24 H new ATOM 0 HB2 PRO A 48 6.169 -10.334 -19.878 1.00 50.15 H new ATOM 0 HB3 PRO A 48 5.670 -11.696 -20.861 1.00 50.15 H new ATOM 0 HG2 PRO A 48 8.283 -10.199 -20.888 1.00 41.44 H new ATOM 0 HG3 PRO A 48 8.004 -11.927 -20.974 1.00 41.44 H new ATOM 0 HD2 PRO A 48 8.545 -10.455 -23.202 1.00 51.11 H new ATOM 0 HD3 PRO A 48 7.512 -11.870 -23.267 1.00 51.11 H new ATOM 779 N GLY A 49 6.652 -7.592 -21.990 1.00 0.23 N ATOM 780 CA GLY A 49 6.824 -6.207 -21.590 1.00 61.40 C ATOM 781 C GLY A 49 5.646 -5.339 -21.985 1.00 62.15 C ATOM 782 O GLY A 49 5.480 -4.232 -21.471 1.00 24.54 O ATOM 0 H GLY A 49 7.288 -7.909 -22.722 1.00 0.23 H new ATOM 0 HA2 GLY A 49 6.961 -6.158 -20.510 1.00 61.40 H new ATOM 0 HA3 GLY A 49 7.732 -5.811 -22.045 1.00 61.40 H new ATOM 786 N LEU A 50 4.826 -5.839 -22.903 1.00 63.51 N ATOM 787 CA LEU A 50 3.658 -5.101 -23.369 1.00 73.12 C ATOM 788 C LEU A 50 2.534 -5.152 -22.338 1.00 65.25 C ATOM 789 O LEU A 50 1.673 -4.272 -22.298 1.00 65.24 O ATOM 790 CB LEU A 50 3.168 -5.670 -24.702 1.00 64.31 C ATOM 791 CG LEU A 50 4.236 -5.871 -25.779 1.00 13.34 C ATOM 792 CD1 LEU A 50 3.620 -6.461 -27.037 1.00 72.25 C ATOM 793 CD2 LEU A 50 4.932 -4.554 -26.090 1.00 65.34 C ATOM 0 H LEU A 50 4.949 -6.753 -23.339 1.00 63.51 H new ATOM 0 HA LEU A 50 3.950 -4.060 -23.510 1.00 73.12 H new ATOM 0 HB2 LEU A 50 2.689 -6.630 -24.510 1.00 64.31 H new ATOM 0 HB3 LEU A 50 2.401 -5.004 -25.099 1.00 64.31 H new ATOM 0 HG LEU A 50 4.980 -6.572 -25.401 1.00 13.34 H new ATOM 0 HD11 LEU A 50 4.394 -6.597 -27.792 1.00 72.25 H new ATOM 0 HD12 LEU A 50 3.168 -7.425 -26.803 1.00 72.25 H new ATOM 0 HD13 LEU A 50 2.855 -5.785 -27.419 1.00 72.25 H new ATOM 0 HD21 LEU A 50 5.689 -4.715 -26.858 1.00 65.34 H new ATOM 0 HD22 LEU A 50 4.199 -3.831 -26.448 1.00 65.34 H new ATOM 0 HD23 LEU A 50 5.407 -4.172 -25.187 1.00 65.34 H new ATOM 805 N LEU A 51 2.550 -6.186 -21.505 1.00 62.50 N ATOM 806 CA LEU A 51 1.534 -6.352 -20.471 1.00 41.43 C ATOM 807 C LEU A 51 1.599 -5.214 -19.457 1.00 62.21 C ATOM 808 O LEU A 51 0.606 -4.894 -18.805 1.00 71.50 O ATOM 809 CB LEU A 51 1.714 -7.694 -19.761 1.00 65.42 C ATOM 810 CG LEU A 51 1.262 -8.931 -20.539 1.00 3.03 C ATOM 811 CD1 LEU A 51 2.183 -10.107 -20.252 1.00 75.54 C ATOM 812 CD2 LEU A 51 -0.178 -9.281 -20.193 1.00 24.30 C ATOM 0 H LEU A 51 3.255 -6.923 -21.525 1.00 62.50 H new ATOM 0 HA LEU A 51 0.556 -6.331 -20.951 1.00 41.43 H new ATOM 0 HB2 LEU A 51 2.768 -7.812 -19.511 1.00 65.42 H new ATOM 0 HB3 LEU A 51 1.165 -7.661 -18.820 1.00 65.42 H new ATOM 0 HG LEU A 51 1.314 -8.707 -21.604 1.00 3.03 H new ATOM 0 HD11 LEU A 51 1.846 -10.978 -20.814 1.00 75.54 H new ATOM 0 HD12 LEU A 51 3.200 -9.854 -20.550 1.00 75.54 H new ATOM 0 HD13 LEU A 51 2.163 -10.333 -19.186 1.00 75.54 H new ATOM 0 HD21 LEU A 51 -0.483 -10.163 -20.755 1.00 24.30 H new ATOM 0 HD22 LEU A 51 -0.256 -9.486 -19.125 1.00 24.30 H new ATOM 0 HD23 LEU A 51 -0.828 -8.444 -20.450 1.00 24.30 H new ATOM 824 N GLU A 52 2.775 -4.606 -19.332 1.00 32.42 N ATOM 825 CA GLU A 52 2.968 -3.503 -18.398 1.00 20.42 C ATOM 826 C GLU A 52 2.857 -2.160 -19.112 1.00 44.44 C ATOM 827 O GLU A 52 3.397 -1.152 -18.653 1.00 70.32 O ATOM 828 CB GLU A 52 4.331 -3.619 -17.713 1.00 5.40 C ATOM 829 CG GLU A 52 5.506 -3.491 -18.669 1.00 55.30 C ATOM 830 CD GLU A 52 6.660 -2.709 -18.073 1.00 65.33 C ATOM 831 OE1 GLU A 52 6.442 -1.550 -17.662 1.00 63.30 O ATOM 832 OE2 GLU A 52 7.782 -3.256 -18.019 1.00 12.15 O ATOM 0 H GLU A 52 3.607 -4.858 -19.865 1.00 32.42 H new ATOM 0 HA GLU A 52 2.184 -3.558 -17.643 1.00 20.42 H new ATOM 0 HB2 GLU A 52 4.410 -2.847 -16.948 1.00 5.40 H new ATOM 0 HB3 GLU A 52 4.391 -4.581 -17.203 1.00 5.40 H new ATOM 0 HG2 GLU A 52 5.852 -4.486 -18.949 1.00 55.30 H new ATOM 0 HG3 GLU A 52 5.174 -3.000 -19.584 1.00 55.30 H new ATOM 839 N THR A 53 2.154 -2.152 -20.241 1.00 2.03 N ATOM 840 CA THR A 53 1.974 -0.934 -21.020 1.00 74.15 C ATOM 841 C THR A 53 0.524 -0.776 -21.466 1.00 23.05 C ATOM 842 O THR A 53 -0.035 -1.659 -22.116 1.00 13.05 O ATOM 843 CB THR A 53 2.884 -0.922 -22.263 1.00 24.14 C ATOM 844 OG1 THR A 53 2.386 -1.838 -23.244 1.00 42.12 O ATOM 845 CG2 THR A 53 4.311 -1.296 -21.891 1.00 4.10 C ATOM 0 H THR A 53 1.700 -2.976 -20.636 1.00 2.03 H new ATOM 0 HA THR A 53 2.246 -0.101 -20.371 1.00 74.15 H new ATOM 0 HB THR A 53 2.885 0.087 -22.676 1.00 24.14 H new ATOM 0 HG1 THR A 53 2.126 -2.676 -22.807 1.00 42.12 H new ATOM 0 HG21 THR A 53 4.936 -1.281 -22.784 1.00 4.10 H new ATOM 0 HG22 THR A 53 4.698 -0.580 -21.166 1.00 4.10 H new ATOM 0 HG23 THR A 53 4.324 -2.295 -21.456 1.00 4.10 H new ATOM 853 N SER A 54 -0.079 0.355 -21.112 1.00 64.40 N ATOM 854 CA SER A 54 -1.465 0.627 -21.473 1.00 20.12 C ATOM 855 C SER A 54 -1.656 0.562 -22.985 1.00 65.12 C ATOM 856 O SER A 54 -2.761 0.327 -23.472 1.00 61.01 O ATOM 857 CB SER A 54 -1.889 2.002 -20.953 1.00 20.34 C ATOM 858 OG SER A 54 -1.359 3.038 -21.761 1.00 11.34 O ATOM 0 H SER A 54 0.371 1.097 -20.576 1.00 64.40 H new ATOM 0 HA SER A 54 -2.091 -0.137 -21.012 1.00 20.12 H new ATOM 0 HB2 SER A 54 -2.977 2.069 -20.938 1.00 20.34 H new ATOM 0 HB3 SER A 54 -1.547 2.127 -19.925 1.00 20.34 H new ATOM 0 HG SER A 54 -1.646 3.907 -21.409 1.00 11.34 H new ATOM 864 N GLU A 55 -0.569 0.772 -23.722 1.00 10.02 N ATOM 865 CA GLU A 55 -0.617 0.738 -25.179 1.00 5.22 C ATOM 866 C GLU A 55 -0.502 -0.694 -25.694 1.00 1.31 C ATOM 867 O GLU A 55 -1.299 -1.133 -26.522 1.00 45.42 O ATOM 868 CB GLU A 55 0.506 1.595 -25.768 1.00 10.11 C ATOM 869 CG GLU A 55 0.339 1.882 -27.251 1.00 15.15 C ATOM 870 CD GLU A 55 -0.971 2.579 -27.566 1.00 30.44 C ATOM 871 OE1 GLU A 55 -1.381 3.457 -26.779 1.00 2.23 O ATOM 872 OE2 GLU A 55 -1.586 2.245 -28.600 1.00 61.32 O ATOM 0 H GLU A 55 0.354 0.967 -23.334 1.00 10.02 H new ATOM 0 HA GLU A 55 -1.578 1.143 -25.495 1.00 5.22 H new ATOM 0 HB2 GLU A 55 0.552 2.540 -25.227 1.00 10.11 H new ATOM 0 HB3 GLU A 55 1.459 1.090 -25.609 1.00 10.11 H new ATOM 0 HG2 GLU A 55 1.168 2.502 -27.593 1.00 15.15 H new ATOM 0 HG3 GLU A 55 0.391 0.946 -27.807 1.00 15.15 H new ATOM 879 N GLY A 56 0.497 -1.417 -25.197 1.00 33.24 N ATOM 880 CA GLY A 56 0.699 -2.791 -25.618 1.00 33.21 C ATOM 881 C GLY A 56 -0.536 -3.647 -25.415 1.00 61.15 C ATOM 882 O GLY A 56 -0.966 -4.354 -26.328 1.00 1.20 O ATOM 0 H GLY A 56 1.170 -1.076 -24.511 1.00 33.24 H new ATOM 0 HA2 GLY A 56 0.980 -2.808 -26.671 1.00 33.21 H new ATOM 0 HA3 GLY A 56 1.531 -3.220 -25.060 1.00 33.21 H new ATOM 886 N CYS A 57 -1.106 -3.586 -24.218 1.00 14.55 N ATOM 887 CA CYS A 57 -2.298 -4.363 -23.897 1.00 71.43 C ATOM 888 C CYS A 57 -3.389 -4.141 -24.940 1.00 1.12 C ATOM 889 O CYS A 57 -4.131 -5.062 -25.282 1.00 50.53 O ATOM 890 CB CYS A 57 -2.819 -3.989 -22.509 1.00 23.22 C ATOM 891 SG CYS A 57 -2.694 -5.319 -21.290 1.00 65.34 S ATOM 0 H CYS A 57 -0.762 -3.006 -23.452 1.00 14.55 H new ATOM 0 HA CYS A 57 -2.025 -5.418 -23.902 1.00 71.43 H new ATOM 0 HB2 CYS A 57 -2.264 -3.124 -22.145 1.00 23.22 H new ATOM 0 HB3 CYS A 57 -3.862 -3.686 -22.594 1.00 23.22 H new ATOM 0 HG CYS A 57 -3.862 -5.863 -21.120 1.00 65.34 H new ATOM 897 N ARG A 58 -3.481 -2.913 -25.439 1.00 51.24 N ATOM 898 CA ARG A 58 -4.483 -2.569 -26.441 1.00 13.44 C ATOM 899 C ARG A 58 -4.170 -3.238 -27.776 1.00 34.14 C ATOM 900 O ARG A 58 -5.071 -3.703 -28.473 1.00 72.40 O ATOM 901 CB ARG A 58 -4.553 -1.051 -26.623 1.00 21.32 C ATOM 902 CG ARG A 58 -5.929 -0.549 -27.030 1.00 24.22 C ATOM 903 CD ARG A 58 -5.954 0.966 -27.155 1.00 42.14 C ATOM 904 NE ARG A 58 -5.479 1.415 -28.462 1.00 34.03 N ATOM 905 CZ ARG A 58 -5.219 2.685 -28.752 1.00 61.34 C ATOM 906 NH1 ARG A 58 -5.386 3.626 -27.834 1.00 4.21 N ATOM 907 NH2 ARG A 58 -4.790 3.015 -29.964 1.00 72.30 N ATOM 0 H ARG A 58 -2.874 -2.140 -25.166 1.00 51.24 H new ATOM 0 HA ARG A 58 -5.449 -2.931 -26.091 1.00 13.44 H new ATOM 0 HB2 ARG A 58 -4.260 -0.568 -25.691 1.00 21.32 H new ATOM 0 HB3 ARG A 58 -3.828 -0.750 -27.379 1.00 21.32 H new ATOM 0 HG2 ARG A 58 -6.215 -0.998 -27.981 1.00 24.22 H new ATOM 0 HG3 ARG A 58 -6.666 -0.867 -26.293 1.00 24.22 H new ATOM 0 HD2 ARG A 58 -6.970 1.326 -26.995 1.00 42.14 H new ATOM 0 HD3 ARG A 58 -5.334 1.405 -26.373 1.00 42.14 H new ATOM 0 HE ARG A 58 -5.340 0.715 -29.191 1.00 34.03 H new ATOM 0 HH11 ARG A 58 -5.715 3.376 -26.901 1.00 4.21 H new ATOM 0 HH12 ARG A 58 -5.185 4.600 -28.060 1.00 4.21 H new ATOM 0 HH21 ARG A 58 -4.660 2.293 -30.673 1.00 72.30 H new ATOM 0 HH22 ARG A 58 -4.590 3.990 -30.186 1.00 72.30 H new ATOM 921 N GLN A 59 -2.888 -3.282 -28.124 1.00 14.32 N ATOM 922 CA GLN A 59 -2.458 -3.893 -29.376 1.00 4.05 C ATOM 923 C GLN A 59 -2.647 -5.406 -29.336 1.00 2.21 C ATOM 924 O GLN A 59 -3.141 -6.004 -30.292 1.00 21.31 O ATOM 925 CB GLN A 59 -0.991 -3.558 -29.653 1.00 53.53 C ATOM 926 CG GLN A 59 -0.621 -3.623 -31.126 1.00 63.01 C ATOM 927 CD GLN A 59 0.773 -3.093 -31.401 1.00 54.35 C ATOM 928 OE1 GLN A 59 0.967 -2.253 -32.281 1.00 63.43 O ATOM 929 NE2 GLN A 59 1.752 -3.580 -30.648 1.00 75.55 N ATOM 0 H GLN A 59 -2.130 -2.902 -27.557 1.00 14.32 H new ATOM 0 HA GLN A 59 -3.074 -3.489 -30.179 1.00 4.05 H new ATOM 0 HB2 GLN A 59 -0.778 -2.557 -29.277 1.00 53.53 H new ATOM 0 HB3 GLN A 59 -0.358 -4.249 -29.097 1.00 53.53 H new ATOM 0 HG2 GLN A 59 -0.687 -4.656 -31.468 1.00 63.01 H new ATOM 0 HG3 GLN A 59 -1.345 -3.049 -31.704 1.00 63.01 H new ATOM 0 HE21 GLN A 59 1.546 -4.275 -29.930 1.00 75.55 H new ATOM 0 HE22 GLN A 59 2.710 -3.259 -30.787 1.00 75.55 H new ATOM 938 N ILE A 60 -2.250 -6.018 -28.225 1.00 54.31 N ATOM 939 CA ILE A 60 -2.377 -7.461 -28.062 1.00 13.45 C ATOM 940 C ILE A 60 -3.817 -7.914 -28.277 1.00 13.33 C ATOM 941 O ILE A 60 -4.067 -8.976 -28.848 1.00 23.11 O ATOM 942 CB ILE A 60 -1.912 -7.912 -26.664 1.00 53.24 C ATOM 943 CG1 ILE A 60 -0.457 -7.501 -26.430 1.00 12.32 C ATOM 944 CG2 ILE A 60 -2.074 -9.417 -26.513 1.00 12.13 C ATOM 945 CD1 ILE A 60 -0.057 -7.502 -24.971 1.00 64.01 C ATOM 0 H ILE A 60 -1.838 -5.537 -27.425 1.00 54.31 H new ATOM 0 HA ILE A 60 -1.738 -7.921 -28.815 1.00 13.45 H new ATOM 0 HB ILE A 60 -2.533 -7.422 -25.914 1.00 53.24 H new ATOM 0 HG12 ILE A 60 0.197 -8.180 -26.978 1.00 12.32 H new ATOM 0 HG13 ILE A 60 -0.299 -6.504 -26.841 1.00 12.32 H new ATOM 0 HG21 ILE A 60 -1.741 -9.721 -25.520 1.00 12.13 H new ATOM 0 HG22 ILE A 60 -3.123 -9.685 -26.642 1.00 12.13 H new ATOM 0 HG23 ILE A 60 -1.474 -9.925 -27.268 1.00 12.13 H new ATOM 0 HD11 ILE A 60 0.987 -7.201 -24.880 1.00 64.01 H new ATOM 0 HD12 ILE A 60 -0.686 -6.802 -24.421 1.00 64.01 H new ATOM 0 HD13 ILE A 60 -0.183 -8.504 -24.560 1.00 64.01 H new ATOM 957 N LEU A 61 -4.762 -7.101 -27.817 1.00 52.23 N ATOM 958 CA LEU A 61 -6.179 -7.417 -27.961 1.00 12.41 C ATOM 959 C LEU A 61 -6.618 -7.301 -29.417 1.00 61.32 C ATOM 960 O LEU A 61 -7.575 -7.947 -29.841 1.00 34.32 O ATOM 961 CB LEU A 61 -7.021 -6.484 -27.088 1.00 23.34 C ATOM 962 CG LEU A 61 -6.775 -6.572 -25.581 1.00 25.20 C ATOM 963 CD1 LEU A 61 -7.177 -5.275 -24.898 1.00 12.43 C ATOM 964 CD2 LEU A 61 -7.533 -7.749 -24.984 1.00 40.14 C ATOM 0 H LEU A 61 -4.573 -6.219 -27.341 1.00 52.23 H new ATOM 0 HA LEU A 61 -6.331 -8.446 -27.635 1.00 12.41 H new ATOM 0 HB2 LEU A 61 -6.838 -5.458 -27.407 1.00 23.34 H new ATOM 0 HB3 LEU A 61 -8.074 -6.694 -27.277 1.00 23.34 H new ATOM 0 HG LEU A 61 -5.709 -6.731 -25.415 1.00 25.20 H new ATOM 0 HD11 LEU A 61 -6.995 -5.356 -23.826 1.00 12.43 H new ATOM 0 HD12 LEU A 61 -6.589 -4.452 -25.305 1.00 12.43 H new ATOM 0 HD13 LEU A 61 -8.236 -5.085 -25.073 1.00 12.43 H new ATOM 0 HD21 LEU A 61 -7.346 -7.796 -23.911 1.00 40.14 H new ATOM 0 HD22 LEU A 61 -8.601 -7.621 -25.161 1.00 40.14 H new ATOM 0 HD23 LEU A 61 -7.196 -8.674 -25.452 1.00 40.14 H new ATOM 976 N GLY A 62 -5.909 -6.475 -30.180 1.00 42.31 N ATOM 977 CA GLY A 62 -6.239 -6.292 -31.581 1.00 41.54 C ATOM 978 C GLY A 62 -5.994 -7.542 -32.403 1.00 15.31 C ATOM 979 O GLY A 62 -6.685 -7.787 -33.391 1.00 54.33 O ATOM 0 H GLY A 62 -5.112 -5.929 -29.853 1.00 42.31 H new ATOM 0 HA2 GLY A 62 -7.286 -6.002 -31.669 1.00 41.54 H new ATOM 0 HA3 GLY A 62 -5.646 -5.472 -31.987 1.00 41.54 H new ATOM 983 N GLN A 63 -5.008 -8.333 -31.994 1.00 61.11 N ATOM 984 CA GLN A 63 -4.673 -9.563 -32.702 1.00 32.35 C ATOM 985 C GLN A 63 -5.545 -10.720 -32.224 1.00 61.23 C ATOM 986 O GLN A 63 -5.781 -11.679 -32.961 1.00 41.30 O ATOM 987 CB GLN A 63 -3.196 -9.906 -32.501 1.00 41.12 C ATOM 988 CG GLN A 63 -2.316 -9.514 -33.677 1.00 5.22 C ATOM 989 CD GLN A 63 -1.403 -10.639 -34.123 1.00 60.04 C ATOM 990 OE1 GLN A 63 -1.586 -11.213 -35.197 1.00 70.21 O ATOM 991 NE2 GLN A 63 -0.412 -10.960 -33.300 1.00 33.44 N ATOM 0 H GLN A 63 -4.427 -8.145 -31.177 1.00 61.11 H new ATOM 0 HA GLN A 63 -4.861 -9.404 -33.764 1.00 32.35 H new ATOM 0 HB2 GLN A 63 -2.834 -9.404 -31.604 1.00 41.12 H new ATOM 0 HB3 GLN A 63 -3.101 -10.978 -32.328 1.00 41.12 H new ATOM 0 HG2 GLN A 63 -2.947 -9.210 -34.512 1.00 5.22 H new ATOM 0 HG3 GLN A 63 -1.713 -8.649 -33.402 1.00 5.22 H new ATOM 0 HE21 GLN A 63 -0.297 -10.458 -32.420 1.00 33.44 H new ATOM 0 HE22 GLN A 63 0.235 -11.709 -33.548 1.00 33.44 H new ATOM 1000 N LEU A 64 -6.021 -10.625 -30.988 1.00 5.24 N ATOM 1001 CA LEU A 64 -6.867 -11.664 -30.411 1.00 43.10 C ATOM 1002 C LEU A 64 -8.332 -11.429 -30.762 1.00 35.53 C ATOM 1003 O LEU A 64 -9.129 -12.367 -30.799 1.00 65.24 O ATOM 1004 CB LEU A 64 -6.694 -11.705 -28.892 1.00 12.13 C ATOM 1005 CG LEU A 64 -5.320 -12.143 -28.384 1.00 32.43 C ATOM 1006 CD1 LEU A 64 -5.229 -11.973 -26.875 1.00 54.22 C ATOM 1007 CD2 LEU A 64 -5.042 -13.587 -28.777 1.00 11.13 C ATOM 0 H LEU A 64 -5.836 -9.839 -30.365 1.00 5.24 H new ATOM 0 HA LEU A 64 -6.561 -12.622 -30.831 1.00 43.10 H new ATOM 0 HB2 LEU A 64 -6.906 -10.712 -28.495 1.00 12.13 H new ATOM 0 HB3 LEU A 64 -7.444 -12.380 -28.479 1.00 12.13 H new ATOM 0 HG LEU A 64 -4.564 -11.509 -28.847 1.00 32.43 H new ATOM 0 HD11 LEU A 64 -4.244 -12.290 -26.532 1.00 54.22 H new ATOM 0 HD12 LEU A 64 -5.383 -10.925 -26.617 1.00 54.22 H new ATOM 0 HD13 LEU A 64 -5.994 -12.582 -26.393 1.00 54.22 H new ATOM 0 HD21 LEU A 64 -4.060 -13.882 -28.407 1.00 11.13 H new ATOM 0 HD22 LEU A 64 -5.803 -14.235 -28.343 1.00 11.13 H new ATOM 0 HD23 LEU A 64 -5.064 -13.679 -29.863 1.00 11.13 H new ATOM 1019 N GLN A 65 -8.680 -10.173 -31.019 1.00 52.24 N ATOM 1020 CA GLN A 65 -10.050 -9.816 -31.369 1.00 32.13 C ATOM 1021 C GLN A 65 -10.563 -10.682 -32.514 1.00 61.35 C ATOM 1022 O GLN A 65 -11.532 -11.429 -32.375 1.00 41.11 O ATOM 1023 CB GLN A 65 -10.132 -8.338 -31.755 1.00 32.24 C ATOM 1024 CG GLN A 65 -10.976 -7.507 -30.802 1.00 41.41 C ATOM 1025 CD GLN A 65 -11.749 -6.412 -31.511 1.00 4.21 C ATOM 1026 OE1 GLN A 65 -11.249 -5.792 -32.451 1.00 33.24 O ATOM 1027 NE2 GLN A 65 -12.975 -6.167 -31.064 1.00 22.54 N ATOM 0 H GLN A 65 -8.033 -9.385 -30.992 1.00 52.24 H new ATOM 0 HA GLN A 65 -10.678 -9.991 -30.496 1.00 32.13 H new ATOM 0 HB2 GLN A 65 -9.124 -7.924 -31.790 1.00 32.24 H new ATOM 0 HB3 GLN A 65 -10.546 -8.256 -32.760 1.00 32.24 H new ATOM 0 HG2 GLN A 65 -11.675 -8.159 -30.278 1.00 41.41 H new ATOM 0 HG3 GLN A 65 -10.330 -7.060 -30.046 1.00 41.41 H new ATOM 0 HE21 GLN A 65 -13.350 -6.705 -30.283 1.00 22.54 H new ATOM 0 HE22 GLN A 65 -13.542 -5.441 -31.502 1.00 22.54 H new ATOM 1036 N PRO A 66 -9.899 -10.582 -33.676 1.00 11.13 N ATOM 1037 CA PRO A 66 -10.270 -11.349 -34.868 1.00 70.24 C ATOM 1038 C PRO A 66 -9.975 -12.837 -34.715 1.00 63.44 C ATOM 1039 O PRO A 66 -10.486 -13.662 -35.472 1.00 72.43 O ATOM 1040 CB PRO A 66 -9.396 -10.741 -35.968 1.00 4.23 C ATOM 1041 CG PRO A 66 -8.220 -10.177 -35.248 1.00 2.34 C ATOM 1042 CD PRO A 66 -8.735 -9.712 -33.913 1.00 61.15 C ATOM 0 HA PRO A 66 -11.339 -11.291 -35.073 1.00 70.24 H new ATOM 0 HB2 PRO A 66 -9.092 -11.495 -36.694 1.00 4.23 H new ATOM 0 HB3 PRO A 66 -9.932 -9.967 -36.518 1.00 4.23 H new ATOM 0 HG2 PRO A 66 -7.440 -10.929 -35.125 1.00 2.34 H new ATOM 0 HG3 PRO A 66 -7.780 -9.350 -35.806 1.00 2.34 H new ATOM 0 HD2 PRO A 66 -7.984 -9.824 -33.131 1.00 61.15 H new ATOM 0 HD3 PRO A 66 -9.018 -8.660 -33.935 1.00 61.15 H new ATOM 1050 N SER A 67 -9.147 -13.174 -33.731 1.00 42.44 N ATOM 1051 CA SER A 67 -8.781 -14.563 -33.481 1.00 42.24 C ATOM 1052 C SER A 67 -9.840 -15.259 -32.633 1.00 74.51 C ATOM 1053 O SER A 67 -10.005 -16.478 -32.702 1.00 22.34 O ATOM 1054 CB SER A 67 -7.422 -14.637 -32.782 1.00 50.43 C ATOM 1055 OG SER A 67 -6.394 -14.121 -33.610 1.00 40.40 O ATOM 0 H SER A 67 -8.717 -12.504 -33.094 1.00 42.44 H new ATOM 0 HA SER A 67 -8.716 -15.074 -34.441 1.00 42.24 H new ATOM 0 HB2 SER A 67 -7.458 -14.075 -31.849 1.00 50.43 H new ATOM 0 HB3 SER A 67 -7.199 -15.672 -32.522 1.00 50.43 H new ATOM 0 HG SER A 67 -6.383 -13.143 -33.547 1.00 40.40 H new ATOM 1061 N LEU A 68 -10.557 -14.477 -31.833 1.00 61.44 N ATOM 1062 CA LEU A 68 -11.602 -15.017 -30.970 1.00 62.44 C ATOM 1063 C LEU A 68 -12.581 -15.871 -31.770 1.00 31.03 C ATOM 1064 O LEU A 68 -13.120 -16.853 -31.261 1.00 74.43 O ATOM 1065 CB LEU A 68 -12.351 -13.882 -30.271 1.00 4.31 C ATOM 1066 CG LEU A 68 -11.618 -13.211 -29.108 1.00 34.10 C ATOM 1067 CD1 LEU A 68 -11.949 -11.728 -29.054 1.00 2.35 C ATOM 1068 CD2 LEU A 68 -11.975 -13.887 -27.792 1.00 70.53 C ATOM 0 H LEU A 68 -10.434 -13.467 -31.764 1.00 61.44 H new ATOM 0 HA LEU A 68 -11.128 -15.648 -30.218 1.00 62.44 H new ATOM 0 HB2 LEU A 68 -12.589 -13.120 -31.013 1.00 4.31 H new ATOM 0 HB3 LEU A 68 -13.299 -14.273 -29.900 1.00 4.31 H new ATOM 0 HG LEU A 68 -10.545 -13.318 -29.269 1.00 34.10 H new ATOM 0 HD11 LEU A 68 -11.419 -11.267 -28.221 1.00 2.35 H new ATOM 0 HD12 LEU A 68 -11.643 -11.253 -29.986 1.00 2.35 H new ATOM 0 HD13 LEU A 68 -13.023 -11.600 -28.917 1.00 2.35 H new ATOM 0 HD21 LEU A 68 -11.445 -13.397 -26.976 1.00 70.53 H new ATOM 0 HD22 LEU A 68 -13.049 -13.812 -27.624 1.00 70.53 H new ATOM 0 HD23 LEU A 68 -11.687 -14.938 -27.833 1.00 70.53 H new ATOM 1080 N GLN A 69 -12.804 -15.490 -33.023 1.00 44.14 N ATOM 1081 CA GLN A 69 -13.717 -16.222 -33.893 1.00 42.21 C ATOM 1082 C GLN A 69 -13.356 -17.703 -33.938 1.00 11.00 C ATOM 1083 O GLN A 69 -14.203 -18.567 -33.707 1.00 3.04 O ATOM 1084 CB GLN A 69 -13.690 -15.635 -35.306 1.00 22.15 C ATOM 1085 CG GLN A 69 -14.962 -15.895 -36.097 1.00 4.23 C ATOM 1086 CD GLN A 69 -14.987 -15.156 -37.420 1.00 42.01 C ATOM 1087 OE1 GLN A 69 -15.954 -14.465 -37.740 1.00 12.50 O ATOM 1088 NE2 GLN A 69 -13.920 -15.298 -38.198 1.00 72.23 N ATOM 0 H GLN A 69 -12.365 -14.679 -33.459 1.00 44.14 H new ATOM 0 HA GLN A 69 -14.723 -16.124 -33.486 1.00 42.21 H new ATOM 0 HB2 GLN A 69 -13.526 -14.559 -35.241 1.00 22.15 H new ATOM 0 HB3 GLN A 69 -12.843 -16.054 -35.848 1.00 22.15 H new ATOM 0 HG2 GLN A 69 -15.059 -16.965 -36.281 1.00 4.23 H new ATOM 0 HG3 GLN A 69 -15.824 -15.595 -35.501 1.00 4.23 H new ATOM 0 HE21 GLN A 69 -13.140 -15.881 -37.893 1.00 72.23 H new ATOM 0 HE22 GLN A 69 -13.880 -14.824 -39.100 1.00 72.23 H new ATOM 1097 N THR A 70 -12.093 -17.991 -34.238 1.00 12.23 N ATOM 1098 CA THR A 70 -11.621 -19.367 -34.315 1.00 24.24 C ATOM 1099 C THR A 70 -10.498 -19.620 -33.315 1.00 3.40 C ATOM 1100 O THR A 70 -9.496 -20.257 -33.639 1.00 53.51 O ATOM 1101 CB THR A 70 -11.119 -19.711 -35.730 1.00 53.20 C ATOM 1102 OG1 THR A 70 -9.902 -19.008 -36.003 1.00 10.33 O ATOM 1103 CG2 THR A 70 -12.164 -19.352 -36.776 1.00 43.41 C ATOM 0 H THR A 70 -11.379 -17.289 -34.432 1.00 12.23 H new ATOM 0 HA THR A 70 -12.470 -20.006 -34.073 1.00 24.24 H new ATOM 0 HB THR A 70 -10.935 -20.784 -35.776 1.00 53.20 H new ATOM 0 HG1 THR A 70 -9.589 -19.234 -36.904 1.00 10.33 H new ATOM 0 HG21 THR A 70 -11.788 -19.604 -37.768 1.00 43.41 H new ATOM 0 HG22 THR A 70 -13.079 -19.911 -36.583 1.00 43.41 H new ATOM 0 HG23 THR A 70 -12.375 -18.284 -36.728 1.00 43.41 H new ATOM 1111 N GLY A 71 -10.672 -19.116 -32.097 1.00 22.24 N ATOM 1112 CA GLY A 71 -9.665 -19.299 -31.068 1.00 3.42 C ATOM 1113 C GLY A 71 -10.084 -20.310 -30.019 1.00 44.12 C ATOM 1114 O GLY A 71 -11.265 -20.421 -29.691 1.00 42.02 O ATOM 0 H GLY A 71 -11.492 -18.584 -31.805 1.00 22.24 H new ATOM 0 HA2 GLY A 71 -8.733 -19.625 -31.530 1.00 3.42 H new ATOM 0 HA3 GLY A 71 -9.464 -18.342 -30.586 1.00 3.42 H new ATOM 1118 N SER A 72 -9.114 -21.051 -29.493 1.00 4.42 N ATOM 1119 CA SER A 72 -9.389 -22.062 -28.479 1.00 63.11 C ATOM 1120 C SER A 72 -9.275 -21.471 -27.077 1.00 74.01 C ATOM 1121 O SER A 72 -9.113 -20.262 -26.913 1.00 64.45 O ATOM 1122 CB SER A 72 -8.423 -23.239 -28.628 1.00 32.50 C ATOM 1123 OG SER A 72 -7.110 -22.875 -28.239 1.00 52.45 O ATOM 0 H SER A 72 -8.131 -20.970 -29.752 1.00 4.42 H new ATOM 0 HA SER A 72 -10.409 -22.417 -28.623 1.00 63.11 H new ATOM 0 HB2 SER A 72 -8.767 -24.075 -28.019 1.00 32.50 H new ATOM 0 HB3 SER A 72 -8.417 -23.580 -29.663 1.00 32.50 H new ATOM 0 HG SER A 72 -6.513 -23.645 -28.342 1.00 52.45 H new ATOM 1129 N GLU A 73 -9.363 -22.333 -26.069 1.00 71.42 N ATOM 1130 CA GLU A 73 -9.271 -21.897 -24.681 1.00 14.30 C ATOM 1131 C GLU A 73 -8.015 -21.061 -24.455 1.00 64.13 C ATOM 1132 O GLU A 73 -7.991 -20.175 -23.602 1.00 34.33 O ATOM 1133 CB GLU A 73 -9.269 -23.105 -23.742 1.00 51.11 C ATOM 1134 CG GLU A 73 -8.241 -24.161 -24.112 1.00 11.03 C ATOM 1135 CD GLU A 73 -8.316 -25.385 -23.220 1.00 71.43 C ATOM 1136 OE1 GLU A 73 -9.443 -25.817 -22.898 1.00 65.42 O ATOM 1137 OE2 GLU A 73 -7.247 -25.912 -22.845 1.00 54.40 O ATOM 0 H GLU A 73 -9.498 -23.337 -26.188 1.00 71.42 H new ATOM 0 HA GLU A 73 -10.142 -21.279 -24.463 1.00 14.30 H new ATOM 0 HB2 GLU A 73 -9.077 -22.764 -22.725 1.00 51.11 H new ATOM 0 HB3 GLU A 73 -10.260 -23.558 -23.744 1.00 51.11 H new ATOM 0 HG2 GLU A 73 -8.391 -24.462 -25.149 1.00 11.03 H new ATOM 0 HG3 GLU A 73 -7.242 -23.729 -24.047 1.00 11.03 H new ATOM 1144 N GLU A 74 -6.972 -21.351 -25.227 1.00 63.20 N ATOM 1145 CA GLU A 74 -5.711 -20.628 -25.110 1.00 51.42 C ATOM 1146 C GLU A 74 -5.892 -19.157 -25.474 1.00 14.35 C ATOM 1147 O GLU A 74 -5.350 -18.270 -24.812 1.00 64.52 O ATOM 1148 CB GLU A 74 -4.649 -21.260 -26.012 1.00 50.11 C ATOM 1149 CG GLU A 74 -4.223 -22.649 -25.569 1.00 25.24 C ATOM 1150 CD GLU A 74 -2.795 -22.686 -25.058 1.00 71.13 C ATOM 1151 OE1 GLU A 74 -2.323 -21.651 -24.544 1.00 3.40 O ATOM 1152 OE2 GLU A 74 -2.151 -23.749 -25.173 1.00 64.32 O ATOM 0 H GLU A 74 -6.975 -22.081 -25.939 1.00 63.20 H new ATOM 0 HA GLU A 74 -5.381 -20.691 -24.073 1.00 51.42 H new ATOM 0 HB2 GLU A 74 -5.035 -21.315 -27.030 1.00 50.11 H new ATOM 0 HB3 GLU A 74 -3.773 -20.611 -26.038 1.00 50.11 H new ATOM 0 HG2 GLU A 74 -4.895 -22.998 -24.785 1.00 25.24 H new ATOM 0 HG3 GLU A 74 -4.324 -23.340 -26.406 1.00 25.24 H new ATOM 1159 N LEU A 75 -6.658 -18.904 -26.529 1.00 75.40 N ATOM 1160 CA LEU A 75 -6.912 -17.541 -26.982 1.00 60.01 C ATOM 1161 C LEU A 75 -7.847 -16.813 -26.022 1.00 2.05 C ATOM 1162 O LEU A 75 -7.550 -15.707 -25.570 1.00 22.05 O ATOM 1163 CB LEU A 75 -7.515 -17.554 -28.388 1.00 14.43 C ATOM 1164 CG LEU A 75 -7.260 -16.309 -29.239 1.00 32.22 C ATOM 1165 CD1 LEU A 75 -6.227 -16.602 -30.316 1.00 0.33 C ATOM 1166 CD2 LEU A 75 -8.557 -15.814 -29.862 1.00 32.11 C ATOM 0 H LEU A 75 -7.114 -19.625 -27.087 1.00 75.40 H new ATOM 0 HA LEU A 75 -5.961 -17.009 -27.006 1.00 60.01 H new ATOM 0 HB2 LEU A 75 -7.124 -18.421 -28.921 1.00 14.43 H new ATOM 0 HB3 LEU A 75 -8.592 -17.694 -28.298 1.00 14.43 H new ATOM 0 HG LEU A 75 -6.868 -15.524 -28.592 1.00 32.22 H new ATOM 0 HD11 LEU A 75 -6.058 -15.705 -30.912 1.00 0.33 H new ATOM 0 HD12 LEU A 75 -5.291 -16.909 -29.849 1.00 0.33 H new ATOM 0 HD13 LEU A 75 -6.590 -17.403 -30.960 1.00 0.33 H new ATOM 0 HD21 LEU A 75 -8.356 -14.928 -30.464 1.00 32.11 H new ATOM 0 HD22 LEU A 75 -8.978 -16.595 -30.495 1.00 32.11 H new ATOM 0 HD23 LEU A 75 -9.267 -15.564 -29.074 1.00 32.11 H new ATOM 1178 N ARG A 76 -8.976 -17.442 -25.712 1.00 51.25 N ATOM 1179 CA ARG A 76 -9.954 -16.854 -24.805 1.00 21.24 C ATOM 1180 C ARG A 76 -9.293 -16.425 -23.498 1.00 12.40 C ATOM 1181 O ARG A 76 -9.497 -15.306 -23.026 1.00 34.31 O ATOM 1182 CB ARG A 76 -11.078 -17.851 -24.516 1.00 64.45 C ATOM 1183 CG ARG A 76 -12.454 -17.212 -24.440 1.00 75.12 C ATOM 1184 CD ARG A 76 -13.546 -18.258 -24.281 1.00 74.40 C ATOM 1185 NE ARG A 76 -13.695 -18.687 -22.893 1.00 33.50 N ATOM 1186 CZ ARG A 76 -14.245 -17.935 -21.946 1.00 71.32 C ATOM 1187 NH1 ARG A 76 -14.696 -16.723 -22.237 1.00 12.23 N ATOM 1188 NH2 ARG A 76 -14.345 -18.396 -20.706 1.00 11.22 N ATOM 0 H ARG A 76 -9.236 -18.359 -26.076 1.00 51.25 H new ATOM 0 HA ARG A 76 -10.375 -15.972 -25.287 1.00 21.24 H new ATOM 0 HB2 ARG A 76 -11.084 -18.615 -25.294 1.00 64.45 H new ATOM 0 HB3 ARG A 76 -10.869 -18.358 -23.574 1.00 64.45 H new ATOM 0 HG2 ARG A 76 -12.488 -16.518 -23.600 1.00 75.12 H new ATOM 0 HG3 ARG A 76 -12.636 -16.629 -25.343 1.00 75.12 H new ATOM 0 HD2 ARG A 76 -14.492 -17.851 -24.638 1.00 74.40 H new ATOM 0 HD3 ARG A 76 -13.314 -19.122 -24.904 1.00 74.40 H new ATOM 0 HE ARG A 76 -13.358 -19.615 -22.637 1.00 33.50 H new ATOM 0 HH11 ARG A 76 -14.621 -16.366 -23.190 1.00 12.23 H new ATOM 0 HH12 ARG A 76 -15.118 -16.147 -21.508 1.00 12.23 H new ATOM 0 HH21 ARG A 76 -13.999 -19.328 -20.479 1.00 11.22 H new ATOM 0 HH22 ARG A 76 -14.767 -17.818 -19.980 1.00 11.22 H new ATOM 1202 N SER A 77 -8.501 -17.321 -22.919 1.00 30.14 N ATOM 1203 CA SER A 77 -7.814 -17.037 -21.664 1.00 43.44 C ATOM 1204 C SER A 77 -7.037 -15.726 -21.755 1.00 72.55 C ATOM 1205 O SER A 77 -7.146 -14.865 -20.882 1.00 3.20 O ATOM 1206 CB SER A 77 -6.864 -18.182 -21.308 1.00 10.23 C ATOM 1207 OG SER A 77 -7.572 -19.279 -20.757 1.00 11.32 O ATOM 0 H SER A 77 -8.319 -18.250 -23.299 1.00 30.14 H new ATOM 0 HA SER A 77 -8.565 -16.941 -20.880 1.00 43.44 H new ATOM 0 HB2 SER A 77 -6.326 -18.503 -22.200 1.00 10.23 H new ATOM 0 HB3 SER A 77 -6.118 -17.831 -20.595 1.00 10.23 H new ATOM 0 HG SER A 77 -7.097 -19.611 -19.967 1.00 11.32 H new ATOM 1213 N LEU A 78 -6.254 -15.583 -22.819 1.00 23.44 N ATOM 1214 CA LEU A 78 -5.458 -14.379 -23.026 1.00 3.52 C ATOM 1215 C LEU A 78 -6.344 -13.137 -23.048 1.00 31.42 C ATOM 1216 O LEU A 78 -6.150 -12.209 -22.263 1.00 23.24 O ATOM 1217 CB LEU A 78 -4.672 -14.481 -24.334 1.00 60.32 C ATOM 1218 CG LEU A 78 -3.182 -14.799 -24.199 1.00 53.04 C ATOM 1219 CD1 LEU A 78 -2.489 -13.752 -23.342 1.00 44.43 C ATOM 1220 CD2 LEU A 78 -2.984 -16.188 -23.611 1.00 74.42 C ATOM 0 H LEU A 78 -6.154 -16.286 -23.551 1.00 23.44 H new ATOM 0 HA LEU A 78 -4.758 -14.289 -22.195 1.00 3.52 H new ATOM 0 HB2 LEU A 78 -5.133 -15.251 -24.952 1.00 60.32 H new ATOM 0 HB3 LEU A 78 -4.775 -13.538 -24.871 1.00 60.32 H new ATOM 0 HG LEU A 78 -2.735 -14.780 -25.193 1.00 53.04 H new ATOM 0 HD11 LEU A 78 -1.430 -13.994 -23.257 1.00 44.43 H new ATOM 0 HD12 LEU A 78 -2.601 -12.771 -23.804 1.00 44.43 H new ATOM 0 HD13 LEU A 78 -2.939 -13.738 -22.349 1.00 44.43 H new ATOM 0 HD21 LEU A 78 -1.918 -16.397 -23.522 1.00 74.42 H new ATOM 0 HD22 LEU A 78 -3.446 -16.235 -22.625 1.00 74.42 H new ATOM 0 HD23 LEU A 78 -3.446 -16.929 -24.264 1.00 74.42 H new ATOM 1232 N TYR A 79 -7.319 -13.129 -23.950 1.00 43.04 N ATOM 1233 CA TYR A 79 -8.235 -12.002 -24.075 1.00 14.01 C ATOM 1234 C TYR A 79 -8.854 -11.651 -22.725 1.00 60.21 C ATOM 1235 O TYR A 79 -9.184 -10.496 -22.463 1.00 12.43 O ATOM 1236 CB TYR A 79 -9.338 -12.323 -25.086 1.00 24.35 C ATOM 1237 CG TYR A 79 -9.837 -11.113 -25.842 1.00 62.23 C ATOM 1238 CD1 TYR A 79 -9.002 -10.418 -26.708 1.00 64.02 C ATOM 1239 CD2 TYR A 79 -11.143 -10.665 -25.691 1.00 1.51 C ATOM 1240 CE1 TYR A 79 -9.453 -9.311 -27.401 1.00 61.43 C ATOM 1241 CE2 TYR A 79 -11.603 -9.560 -26.381 1.00 12.10 C ATOM 1242 CZ TYR A 79 -10.755 -8.887 -27.235 1.00 5.33 C ATOM 1243 OH TYR A 79 -11.209 -7.785 -27.923 1.00 21.01 O ATOM 0 H TYR A 79 -7.495 -13.890 -24.605 1.00 43.04 H new ATOM 0 HA TYR A 79 -7.666 -11.142 -24.429 1.00 14.01 H new ATOM 0 HB2 TYR A 79 -8.963 -13.057 -25.799 1.00 24.35 H new ATOM 0 HB3 TYR A 79 -10.175 -12.785 -24.563 1.00 24.35 H new ATOM 0 HD1 TYR A 79 -7.983 -10.749 -26.842 1.00 64.02 H new ATOM 0 HD2 TYR A 79 -11.810 -11.189 -25.023 1.00 1.51 H new ATOM 0 HE1 TYR A 79 -8.790 -8.781 -28.069 1.00 61.43 H new ATOM 0 HE2 TYR A 79 -12.622 -9.225 -26.252 1.00 12.10 H new ATOM 0 HH TYR A 79 -12.148 -7.620 -27.694 1.00 21.01 H new ATOM 1253 N ASN A 80 -9.007 -12.659 -21.872 1.00 1.21 N ATOM 1254 CA ASN A 80 -9.586 -12.458 -20.548 1.00 64.43 C ATOM 1255 C ASN A 80 -8.637 -11.665 -19.655 1.00 15.34 C ATOM 1256 O ASN A 80 -8.998 -10.612 -19.128 1.00 0.53 O ATOM 1257 CB ASN A 80 -9.907 -13.807 -19.900 1.00 1.51 C ATOM 1258 CG ASN A 80 -11.394 -14.103 -19.889 1.00 70.12 C ATOM 1259 OD1 ASN A 80 -12.143 -13.611 -20.734 1.00 25.32 O ATOM 1260 ND2 ASN A 80 -11.829 -14.911 -18.929 1.00 71.13 N ATOM 0 H ASN A 80 -8.738 -13.622 -22.073 1.00 1.21 H new ATOM 0 HA ASN A 80 -10.508 -11.889 -20.663 1.00 64.43 H new ATOM 0 HB2 ASN A 80 -9.386 -14.599 -20.438 1.00 1.51 H new ATOM 0 HB3 ASN A 80 -9.530 -13.815 -18.877 1.00 1.51 H new ATOM 0 HD21 ASN A 80 -12.820 -15.147 -18.871 1.00 71.13 H new ATOM 0 HD22 ASN A 80 -11.172 -15.296 -18.250 1.00 71.13 H new ATOM 1267 N THR A 81 -7.422 -12.177 -19.488 1.00 40.11 N ATOM 1268 CA THR A 81 -6.422 -11.517 -18.658 1.00 62.33 C ATOM 1269 C THR A 81 -6.037 -10.160 -19.235 1.00 54.42 C ATOM 1270 O THR A 81 -6.102 -9.141 -18.546 1.00 21.20 O ATOM 1271 CB THR A 81 -5.153 -12.379 -18.515 1.00 73.34 C ATOM 1272 OG1 THR A 81 -5.504 -13.698 -18.082 1.00 63.53 O ATOM 1273 CG2 THR A 81 -4.184 -11.755 -17.523 1.00 62.20 C ATOM 0 H THR A 81 -7.107 -13.047 -19.917 1.00 40.11 H new ATOM 0 HA THR A 81 -6.871 -11.377 -17.675 1.00 62.33 H new ATOM 0 HB THR A 81 -4.666 -12.434 -19.488 1.00 73.34 H new ATOM 0 HG1 THR A 81 -4.693 -14.241 -17.995 1.00 63.53 H new ATOM 0 HG21 THR A 81 -3.296 -12.381 -17.439 1.00 62.20 H new ATOM 0 HG22 THR A 81 -3.897 -10.763 -17.870 1.00 62.20 H new ATOM 0 HG23 THR A 81 -4.664 -11.673 -16.548 1.00 62.20 H new ATOM 1281 N ILE A 82 -5.638 -10.152 -20.503 1.00 34.04 N ATOM 1282 CA ILE A 82 -5.246 -8.918 -21.172 1.00 24.21 C ATOM 1283 C ILE A 82 -6.320 -7.847 -21.025 1.00 14.45 C ATOM 1284 O ILE A 82 -6.023 -6.653 -21.008 1.00 42.33 O ATOM 1285 CB ILE A 82 -4.972 -9.153 -22.669 1.00 51.53 C ATOM 1286 CG1 ILE A 82 -3.872 -10.200 -22.851 1.00 43.13 C ATOM 1287 CG2 ILE A 82 -4.586 -7.847 -23.348 1.00 5.22 C ATOM 1288 CD1 ILE A 82 -3.840 -10.809 -24.236 1.00 32.04 C ATOM 0 H ILE A 82 -5.578 -10.986 -21.087 1.00 34.04 H new ATOM 0 HA ILE A 82 -4.329 -8.576 -20.692 1.00 24.21 H new ATOM 0 HB ILE A 82 -5.883 -9.527 -23.136 1.00 51.53 H new ATOM 0 HG12 ILE A 82 -2.906 -9.740 -22.643 1.00 43.13 H new ATOM 0 HG13 ILE A 82 -4.012 -10.994 -22.117 1.00 43.13 H new ATOM 0 HG21 ILE A 82 -4.395 -8.029 -24.406 1.00 5.22 H new ATOM 0 HG22 ILE A 82 -5.399 -7.129 -23.244 1.00 5.22 H new ATOM 0 HG23 ILE A 82 -3.686 -7.446 -22.881 1.00 5.22 H new ATOM 0 HD11 ILE A 82 -3.036 -11.542 -24.292 1.00 32.04 H new ATOM 0 HD12 ILE A 82 -4.792 -11.298 -24.440 1.00 32.04 H new ATOM 0 HD13 ILE A 82 -3.669 -10.025 -24.974 1.00 32.04 H new ATOM 1300 N ALA A 83 -7.571 -8.282 -20.916 1.00 33.14 N ATOM 1301 CA ALA A 83 -8.691 -7.361 -20.765 1.00 44.53 C ATOM 1302 C ALA A 83 -8.663 -6.682 -19.400 1.00 52.52 C ATOM 1303 O ALA A 83 -8.522 -5.462 -19.305 1.00 22.33 O ATOM 1304 CB ALA A 83 -10.009 -8.094 -20.966 1.00 4.21 C ATOM 0 H ALA A 83 -7.835 -9.267 -20.929 1.00 33.14 H new ATOM 0 HA ALA A 83 -8.599 -6.588 -21.528 1.00 44.53 H new ATOM 0 HB1 ALA A 83 -10.836 -7.394 -20.850 1.00 4.21 H new ATOM 0 HB2 ALA A 83 -10.036 -8.526 -21.966 1.00 4.21 H new ATOM 0 HB3 ALA A 83 -10.100 -8.889 -20.225 1.00 4.21 H new ATOM 1310 N VAL A 84 -8.800 -7.478 -18.345 1.00 72.51 N ATOM 1311 CA VAL A 84 -8.791 -6.954 -16.985 1.00 22.24 C ATOM 1312 C VAL A 84 -7.543 -6.117 -16.727 1.00 21.21 C ATOM 1313 O VAL A 84 -7.597 -5.097 -16.038 1.00 72.41 O ATOM 1314 CB VAL A 84 -8.858 -8.089 -15.945 1.00 51.13 C ATOM 1315 CG1 VAL A 84 -8.818 -7.524 -14.534 1.00 1.52 C ATOM 1316 CG2 VAL A 84 -10.108 -8.930 -16.156 1.00 62.30 C ATOM 0 H VAL A 84 -8.919 -8.489 -18.406 1.00 72.51 H new ATOM 0 HA VAL A 84 -9.675 -6.325 -16.883 1.00 22.24 H new ATOM 0 HB VAL A 84 -7.988 -8.732 -16.077 1.00 51.13 H new ATOM 0 HG11 VAL A 84 -8.866 -8.341 -13.814 1.00 1.52 H new ATOM 0 HG12 VAL A 84 -7.891 -6.968 -14.391 1.00 1.52 H new ATOM 0 HG13 VAL A 84 -9.668 -6.858 -14.385 1.00 1.52 H new ATOM 0 HG21 VAL A 84 -10.140 -9.727 -15.413 1.00 62.30 H new ATOM 0 HG22 VAL A 84 -10.992 -8.301 -16.051 1.00 62.30 H new ATOM 0 HG23 VAL A 84 -10.089 -9.366 -17.155 1.00 62.30 H new ATOM 1326 N LEU A 85 -6.419 -6.554 -17.284 1.00 50.14 N ATOM 1327 CA LEU A 85 -5.155 -5.844 -17.116 1.00 35.52 C ATOM 1328 C LEU A 85 -5.179 -4.508 -17.850 1.00 14.42 C ATOM 1329 O LEU A 85 -4.822 -3.472 -17.287 1.00 70.41 O ATOM 1330 CB LEU A 85 -3.995 -6.700 -17.628 1.00 54.22 C ATOM 1331 CG LEU A 85 -2.641 -6.465 -16.958 1.00 33.44 C ATOM 1332 CD1 LEU A 85 -2.549 -7.245 -15.655 1.00 2.31 C ATOM 1333 CD2 LEU A 85 -1.507 -6.854 -17.895 1.00 55.13 C ATOM 0 H LEU A 85 -6.357 -7.396 -17.856 1.00 50.14 H new ATOM 0 HA LEU A 85 -5.014 -5.650 -16.053 1.00 35.52 H new ATOM 0 HB2 LEU A 85 -4.262 -7.750 -17.504 1.00 54.22 H new ATOM 0 HB3 LEU A 85 -3.884 -6.523 -18.698 1.00 54.22 H new ATOM 0 HG LEU A 85 -2.549 -5.403 -16.730 1.00 33.44 H new ATOM 0 HD11 LEU A 85 -1.579 -7.066 -15.192 1.00 2.31 H new ATOM 0 HD12 LEU A 85 -3.340 -6.919 -14.979 1.00 2.31 H new ATOM 0 HD13 LEU A 85 -2.663 -8.310 -15.859 1.00 2.31 H new ATOM 0 HD21 LEU A 85 -0.551 -6.680 -17.401 1.00 55.13 H new ATOM 0 HD22 LEU A 85 -1.595 -7.909 -18.154 1.00 55.13 H new ATOM 0 HD23 LEU A 85 -1.562 -6.252 -18.802 1.00 55.13 H new ATOM 1345 N TYR A 86 -5.605 -4.537 -19.108 1.00 23.01 N ATOM 1346 CA TYR A 86 -5.675 -3.328 -19.919 1.00 54.43 C ATOM 1347 C TYR A 86 -6.474 -2.240 -19.208 1.00 34.04 C ATOM 1348 O TYR A 86 -6.005 -1.112 -19.050 1.00 74.12 O ATOM 1349 CB TYR A 86 -6.309 -3.636 -21.277 1.00 40.50 C ATOM 1350 CG TYR A 86 -6.609 -2.402 -22.099 1.00 35.34 C ATOM 1351 CD1 TYR A 86 -5.585 -1.591 -22.571 1.00 71.40 C ATOM 1352 CD2 TYR A 86 -7.918 -2.049 -22.403 1.00 53.33 C ATOM 1353 CE1 TYR A 86 -5.855 -0.463 -23.321 1.00 72.43 C ATOM 1354 CE2 TYR A 86 -8.198 -0.923 -23.154 1.00 62.33 C ATOM 1355 CZ TYR A 86 -7.163 -0.134 -23.610 1.00 40.35 C ATOM 1356 OH TYR A 86 -7.436 0.988 -24.359 1.00 11.42 O ATOM 0 H TYR A 86 -5.907 -5.385 -19.588 1.00 23.01 H new ATOM 0 HA TYR A 86 -4.659 -2.965 -20.073 1.00 54.43 H new ATOM 0 HB2 TYR A 86 -5.640 -4.285 -21.842 1.00 40.50 H new ATOM 0 HB3 TYR A 86 -7.234 -4.191 -21.119 1.00 40.50 H new ATOM 0 HD1 TYR A 86 -4.560 -1.847 -22.348 1.00 71.40 H new ATOM 0 HD2 TYR A 86 -8.730 -2.665 -22.046 1.00 53.33 H new ATOM 0 HE1 TYR A 86 -5.047 0.158 -23.679 1.00 72.43 H new ATOM 0 HE2 TYR A 86 -9.221 -0.663 -23.382 1.00 62.33 H new ATOM 0 HH TYR A 86 -8.405 1.077 -24.473 1.00 11.42 H new ATOM 1366 N CYS A 87 -7.683 -2.588 -18.779 1.00 43.42 N ATOM 1367 CA CYS A 87 -8.549 -1.642 -18.084 1.00 23.12 C ATOM 1368 C CYS A 87 -7.814 -0.988 -16.918 1.00 33.43 C ATOM 1369 O CYS A 87 -7.921 0.219 -16.701 1.00 74.21 O ATOM 1370 CB CYS A 87 -9.807 -2.348 -17.578 1.00 75.20 C ATOM 1371 SG CYS A 87 -11.151 -2.418 -18.786 1.00 42.43 S ATOM 0 H CYS A 87 -8.085 -3.518 -18.900 1.00 43.42 H new ATOM 0 HA CYS A 87 -8.837 -0.864 -18.791 1.00 23.12 H new ATOM 0 HB2 CYS A 87 -9.546 -3.364 -17.282 1.00 75.20 H new ATOM 0 HB3 CYS A 87 -10.163 -1.836 -16.684 1.00 75.20 H new ATOM 0 HG CYS A 87 -12.285 -2.209 -18.186 1.00 42.43 H new ATOM 1377 N VAL A 88 -7.069 -1.794 -16.168 1.00 31.31 N ATOM 1378 CA VAL A 88 -6.317 -1.295 -15.023 1.00 52.30 C ATOM 1379 C VAL A 88 -5.341 -0.201 -15.442 1.00 11.15 C ATOM 1380 O VAL A 88 -5.213 0.823 -14.769 1.00 73.30 O ATOM 1381 CB VAL A 88 -5.536 -2.426 -14.328 1.00 14.34 C ATOM 1382 CG1 VAL A 88 -4.736 -1.880 -13.155 1.00 40.41 C ATOM 1383 CG2 VAL A 88 -6.484 -3.524 -13.871 1.00 73.41 C ATOM 0 H VAL A 88 -6.970 -2.796 -16.333 1.00 31.31 H new ATOM 0 HA VAL A 88 -7.043 -0.882 -14.323 1.00 52.30 H new ATOM 0 HB VAL A 88 -4.837 -2.855 -15.045 1.00 14.34 H new ATOM 0 HG11 VAL A 88 -4.191 -2.693 -12.676 1.00 40.41 H new ATOM 0 HG12 VAL A 88 -4.030 -1.131 -13.513 1.00 40.41 H new ATOM 0 HG13 VAL A 88 -5.414 -1.423 -12.434 1.00 40.41 H new ATOM 0 HG21 VAL A 88 -5.916 -4.315 -13.382 1.00 73.41 H new ATOM 0 HG22 VAL A 88 -7.208 -3.111 -13.169 1.00 73.41 H new ATOM 0 HG23 VAL A 88 -7.009 -3.934 -14.734 1.00 73.41 H new ATOM 1393 N HIS A 89 -4.654 -0.424 -16.557 1.00 42.13 N ATOM 1394 CA HIS A 89 -3.688 0.544 -17.068 1.00 35.31 C ATOM 1395 C HIS A 89 -4.399 1.747 -17.682 1.00 33.44 C ATOM 1396 O HIS A 89 -3.750 2.785 -17.802 1.00 62.12 O ATOM 1397 CB HIS A 89 -2.779 -0.111 -18.109 1.00 13.14 C ATOM 1398 CG HIS A 89 -1.906 -1.191 -17.546 1.00 52.51 C ATOM 1399 ND1 HIS A 89 -1.474 -1.203 -16.237 1.00 65.11 N ATOM 1400 CD2 HIS A 89 -1.386 -2.299 -18.123 1.00 44.32 C ATOM 1401 CE1 HIS A 89 -0.724 -2.272 -16.034 1.00 10.11 C ATOM 1402 NE2 HIS A 89 -0.656 -2.954 -17.163 1.00 43.21 N ATOM 0 H HIS A 89 -4.747 -1.266 -17.125 1.00 42.13 H new ATOM 0 HA HIS A 89 -3.080 0.890 -16.232 1.00 35.31 H new ATOM 0 HB2 HIS A 89 -3.395 -0.530 -18.905 1.00 13.14 H new ATOM 0 HB3 HIS A 89 -2.149 0.654 -18.563 1.00 13.14 H new ATOM 0 HD1 HIS A 89 -1.698 -0.498 -15.535 1.00 65.11 H new ATOM 0 HD2 HIS A 89 -1.520 -2.610 -19.148 1.00 44.32 H new ATOM 0 HE1 HIS A 89 -0.248 -2.542 -15.103 1.00 10.11 H new ATOM 1411 N GLN A 90 -5.669 1.638 -18.059 1.00 12.35 N ATOM 1412 CA GLN A 90 -6.388 2.760 -18.650 1.00 53.31 C ATOM 1413 C GLN A 90 -7.192 3.510 -17.593 1.00 11.02 C ATOM 1414 O GLN A 90 -8.198 4.150 -17.902 1.00 23.34 O ATOM 1415 CB GLN A 90 -7.318 2.269 -19.761 1.00 61.11 C ATOM 1416 CG GLN A 90 -7.049 2.916 -21.110 1.00 64.32 C ATOM 1417 CD GLN A 90 -7.939 4.114 -21.371 1.00 13.41 C ATOM 1418 OE1 GLN A 90 -9.118 3.968 -21.696 1.00 20.35 O ATOM 1419 NE2 GLN A 90 -7.379 5.310 -21.230 1.00 14.24 N ATOM 0 H GLN A 90 -6.220 0.785 -17.966 1.00 12.35 H new ATOM 0 HA GLN A 90 -5.654 3.445 -19.075 1.00 53.31 H new ATOM 0 HB2 GLN A 90 -7.215 1.188 -19.859 1.00 61.11 H new ATOM 0 HB3 GLN A 90 -8.351 2.466 -19.472 1.00 61.11 H new ATOM 0 HG2 GLN A 90 -6.005 3.226 -21.158 1.00 64.32 H new ATOM 0 HG3 GLN A 90 -7.199 2.179 -21.899 1.00 64.32 H new ATOM 0 HE21 GLN A 90 -6.399 5.385 -20.959 1.00 14.24 H new ATOM 0 HE22 GLN A 90 -7.929 6.153 -21.393 1.00 14.24 H new ATOM 1428 N ARG A 91 -6.742 3.426 -16.345 1.00 53.30 N ATOM 1429 CA ARG A 91 -7.421 4.096 -15.242 1.00 21.42 C ATOM 1430 C ARG A 91 -8.868 3.625 -15.128 1.00 22.45 C ATOM 1431 O ARG A 91 -9.760 4.404 -14.791 1.00 43.23 O ATOM 1432 CB ARG A 91 -7.381 5.613 -15.435 1.00 62.55 C ATOM 1433 CG ARG A 91 -5.985 6.157 -15.691 1.00 11.31 C ATOM 1434 CD ARG A 91 -5.665 7.323 -14.768 1.00 64.04 C ATOM 1435 NE ARG A 91 -4.239 7.639 -14.761 1.00 41.53 N ATOM 1436 CZ ARG A 91 -3.626 8.290 -15.744 1.00 64.40 C ATOM 1437 NH1 ARG A 91 -4.310 8.691 -16.807 1.00 21.55 N ATOM 1438 NH2 ARG A 91 -2.325 8.541 -15.665 1.00 20.52 N ATOM 0 H ARG A 91 -5.911 2.901 -16.073 1.00 53.30 H new ATOM 0 HA ARG A 91 -6.900 3.841 -14.319 1.00 21.42 H new ATOM 0 HB2 ARG A 91 -8.026 5.882 -16.272 1.00 62.55 H new ATOM 0 HB3 ARG A 91 -7.793 6.095 -14.548 1.00 62.55 H new ATOM 0 HG2 ARG A 91 -5.252 5.364 -15.545 1.00 11.31 H new ATOM 0 HG3 ARG A 91 -5.903 6.480 -16.729 1.00 11.31 H new ATOM 0 HD2 ARG A 91 -6.229 8.201 -15.083 1.00 64.04 H new ATOM 0 HD3 ARG A 91 -5.988 7.083 -13.755 1.00 64.04 H new ATOM 0 HE ARG A 91 -3.684 7.344 -13.958 1.00 41.53 H new ATOM 0 HH11 ARG A 91 -5.310 8.500 -16.872 1.00 21.55 H new ATOM 0 HH12 ARG A 91 -3.836 9.190 -17.560 1.00 21.55 H new ATOM 0 HH21 ARG A 91 -1.795 8.234 -14.849 1.00 20.52 H new ATOM 0 HH22 ARG A 91 -1.855 9.041 -16.420 1.00 20.52 H new ATOM 1452 N ILE A 92 -9.092 2.346 -15.410 1.00 33.10 N ATOM 1453 CA ILE A 92 -10.430 1.772 -15.338 1.00 71.33 C ATOM 1454 C ILE A 92 -10.538 0.771 -14.193 1.00 71.30 C ATOM 1455 O ILE A 92 -9.626 -0.022 -13.960 1.00 63.40 O ATOM 1456 CB ILE A 92 -10.814 1.071 -16.655 1.00 45.32 C ATOM 1457 CG1 ILE A 92 -10.524 1.985 -17.848 1.00 2.45 C ATOM 1458 CG2 ILE A 92 -12.281 0.669 -16.634 1.00 24.15 C ATOM 1459 CD1 ILE A 92 -10.860 1.361 -19.184 1.00 25.44 C ATOM 0 H ILE A 92 -8.365 1.688 -15.690 1.00 33.10 H new ATOM 0 HA ILE A 92 -11.118 2.599 -15.161 1.00 71.33 H new ATOM 0 HB ILE A 92 -10.212 0.168 -16.757 1.00 45.32 H new ATOM 0 HG12 ILE A 92 -11.092 2.908 -17.734 1.00 2.45 H new ATOM 0 HG13 ILE A 92 -9.469 2.257 -17.839 1.00 2.45 H new ATOM 0 HG21 ILE A 92 -12.536 0.175 -17.572 1.00 24.15 H new ATOM 0 HG22 ILE A 92 -12.459 -0.014 -15.804 1.00 24.15 H new ATOM 0 HG23 ILE A 92 -12.900 1.558 -16.512 1.00 24.15 H new ATOM 0 HD11 ILE A 92 -10.629 2.065 -19.983 1.00 25.44 H new ATOM 0 HD12 ILE A 92 -10.272 0.453 -19.320 1.00 25.44 H new ATOM 0 HD13 ILE A 92 -11.921 1.114 -19.214 1.00 25.44 H new ATOM 1471 N ASP A 93 -11.660 0.812 -13.482 1.00 44.13 N ATOM 1472 CA ASP A 93 -11.889 -0.093 -12.362 1.00 71.55 C ATOM 1473 C ASP A 93 -13.093 -0.992 -12.628 1.00 11.21 C ATOM 1474 O ASP A 93 -14.240 -0.556 -12.527 1.00 72.14 O ATOM 1475 CB ASP A 93 -12.104 0.700 -11.073 1.00 4.22 C ATOM 1476 CG ASP A 93 -13.064 1.858 -11.259 1.00 13.23 C ATOM 1477 OD1 ASP A 93 -12.640 2.899 -11.803 1.00 31.04 O ATOM 1478 OD2 ASP A 93 -14.240 1.724 -10.859 1.00 52.05 O ATOM 0 H ASP A 93 -12.425 1.462 -13.662 1.00 44.13 H new ATOM 0 HA ASP A 93 -11.006 -0.722 -12.249 1.00 71.55 H new ATOM 0 HB2 ASP A 93 -12.488 0.034 -10.300 1.00 4.22 H new ATOM 0 HB3 ASP A 93 -11.145 1.080 -10.719 1.00 4.22 H new ATOM 1483 N VAL A 94 -12.824 -2.248 -12.968 1.00 71.24 N ATOM 1484 CA VAL A 94 -13.885 -3.208 -13.248 1.00 71.35 C ATOM 1485 C VAL A 94 -14.073 -4.175 -12.085 1.00 2.04 C ATOM 1486 O VAL A 94 -13.322 -4.144 -11.110 1.00 2.15 O ATOM 1487 CB VAL A 94 -13.590 -4.014 -14.528 1.00 1.41 C ATOM 1488 CG1 VAL A 94 -13.581 -3.100 -15.744 1.00 13.11 C ATOM 1489 CG2 VAL A 94 -12.267 -4.754 -14.398 1.00 35.04 C ATOM 0 H VAL A 94 -11.880 -2.625 -13.056 1.00 71.24 H new ATOM 0 HA VAL A 94 -14.800 -2.634 -13.391 1.00 71.35 H new ATOM 0 HB VAL A 94 -14.381 -4.751 -14.663 1.00 1.41 H new ATOM 0 HG11 VAL A 94 -13.371 -3.686 -16.638 1.00 13.11 H new ATOM 0 HG12 VAL A 94 -14.554 -2.620 -15.845 1.00 13.11 H new ATOM 0 HG13 VAL A 94 -12.811 -2.338 -15.621 1.00 13.11 H new ATOM 0 HG21 VAL A 94 -12.074 -5.318 -15.311 1.00 35.04 H new ATOM 0 HG22 VAL A 94 -11.463 -4.036 -14.239 1.00 35.04 H new ATOM 0 HG23 VAL A 94 -12.315 -5.439 -13.552 1.00 35.04 H new ATOM 1499 N LYS A 95 -15.080 -5.034 -12.193 1.00 73.43 N ATOM 1500 CA LYS A 95 -15.367 -6.013 -11.151 1.00 75.13 C ATOM 1501 C LYS A 95 -15.070 -7.428 -11.637 1.00 22.11 C ATOM 1502 O LYS A 95 -14.725 -8.306 -10.846 1.00 65.20 O ATOM 1503 CB LYS A 95 -16.831 -5.909 -10.715 1.00 24.51 C ATOM 1504 CG LYS A 95 -17.820 -6.191 -11.832 1.00 70.34 C ATOM 1505 CD LYS A 95 -19.255 -6.022 -11.362 1.00 51.25 C ATOM 1506 CE LYS A 95 -20.247 -6.381 -12.459 1.00 4.14 C ATOM 1507 NZ LYS A 95 -21.366 -7.215 -11.942 1.00 34.41 N ATOM 0 H LYS A 95 -15.712 -5.072 -12.993 1.00 73.43 H new ATOM 0 HA LYS A 95 -14.723 -5.798 -10.298 1.00 75.13 H new ATOM 0 HB2 LYS A 95 -17.009 -6.609 -9.899 1.00 24.51 H new ATOM 0 HB3 LYS A 95 -17.014 -4.909 -10.323 1.00 24.51 H new ATOM 0 HG2 LYS A 95 -17.628 -5.518 -12.668 1.00 70.34 H new ATOM 0 HG3 LYS A 95 -17.674 -7.206 -12.201 1.00 70.34 H new ATOM 0 HD2 LYS A 95 -19.430 -6.653 -10.491 1.00 51.25 H new ATOM 0 HD3 LYS A 95 -19.417 -4.991 -11.047 1.00 51.25 H new ATOM 0 HE2 LYS A 95 -20.648 -5.468 -12.899 1.00 4.14 H new ATOM 0 HE3 LYS A 95 -19.731 -6.919 -13.254 1.00 4.14 H new ATOM 0 HZ1 LYS A 95 -22.020 -7.439 -12.719 1.00 34.41 H new ATOM 0 HZ2 LYS A 95 -20.986 -8.098 -11.544 1.00 34.41 H new ATOM 0 HZ3 LYS A 95 -21.875 -6.692 -11.201 1.00 34.41 H new ATOM 1521 N ASP A 96 -15.204 -7.642 -12.941 1.00 54.51 N ATOM 1522 CA ASP A 96 -14.947 -8.950 -13.532 1.00 52.44 C ATOM 1523 C ASP A 96 -14.306 -8.807 -14.909 1.00 44.01 C ATOM 1524 O ASP A 96 -14.030 -7.697 -15.366 1.00 64.10 O ATOM 1525 CB ASP A 96 -16.247 -9.748 -13.642 1.00 52.10 C ATOM 1526 CG ASP A 96 -17.414 -8.894 -14.098 1.00 32.22 C ATOM 1527 OD1 ASP A 96 -17.192 -7.967 -14.905 1.00 31.21 O ATOM 1528 OD2 ASP A 96 -18.550 -9.154 -13.648 1.00 3.50 O ATOM 0 H ASP A 96 -15.489 -6.926 -13.609 1.00 54.51 H new ATOM 0 HA ASP A 96 -14.255 -9.485 -12.882 1.00 52.44 H new ATOM 0 HB2 ASP A 96 -16.107 -10.571 -14.343 1.00 52.10 H new ATOM 0 HB3 ASP A 96 -16.481 -10.191 -12.674 1.00 52.10 H new ATOM 1533 N THR A 97 -14.069 -9.938 -15.566 1.00 73.24 N ATOM 1534 CA THR A 97 -13.458 -9.940 -16.890 1.00 12.15 C ATOM 1535 C THR A 97 -14.445 -9.467 -17.951 1.00 64.23 C ATOM 1536 O THR A 97 -14.051 -8.905 -18.973 1.00 43.23 O ATOM 1537 CB THR A 97 -12.945 -11.342 -17.270 1.00 12.25 C ATOM 1538 OG1 THR A 97 -12.008 -11.803 -16.290 1.00 11.32 O ATOM 1539 CG2 THR A 97 -12.286 -11.323 -18.640 1.00 63.52 C ATOM 0 H THR A 97 -14.291 -10.865 -15.203 1.00 73.24 H new ATOM 0 HA THR A 97 -12.614 -9.251 -16.850 1.00 12.15 H new ATOM 0 HB THR A 97 -13.797 -12.020 -17.304 1.00 12.25 H new ATOM 0 HG1 THR A 97 -12.079 -12.777 -16.202 1.00 11.32 H new ATOM 0 HG21 THR A 97 -11.931 -12.324 -18.887 1.00 63.52 H new ATOM 0 HG22 THR A 97 -13.010 -11.000 -19.388 1.00 63.52 H new ATOM 0 HG23 THR A 97 -11.443 -10.632 -18.629 1.00 63.52 H new ATOM 1547 N LYS A 98 -15.729 -9.698 -17.703 1.00 54.12 N ATOM 1548 CA LYS A 98 -16.774 -9.294 -18.637 1.00 1.12 C ATOM 1549 C LYS A 98 -16.877 -7.774 -18.714 1.00 3.12 C ATOM 1550 O LYS A 98 -16.838 -7.195 -19.799 1.00 13.01 O ATOM 1551 CB LYS A 98 -18.121 -9.886 -18.215 1.00 25.01 C ATOM 1552 CG LYS A 98 -19.068 -10.132 -19.377 1.00 3.44 C ATOM 1553 CD LYS A 98 -20.065 -8.996 -19.532 1.00 75.23 C ATOM 1554 CE LYS A 98 -20.959 -9.202 -20.746 1.00 1.21 C ATOM 1555 NZ LYS A 98 -20.722 -8.167 -21.791 1.00 30.34 N ATOM 0 H LYS A 98 -16.072 -10.163 -16.863 1.00 54.12 H new ATOM 0 HA LYS A 98 -16.510 -9.673 -19.624 1.00 1.12 H new ATOM 0 HB2 LYS A 98 -17.947 -10.827 -17.693 1.00 25.01 H new ATOM 0 HB3 LYS A 98 -18.598 -9.211 -17.505 1.00 25.01 H new ATOM 0 HG2 LYS A 98 -18.495 -10.243 -20.298 1.00 3.44 H new ATOM 0 HG3 LYS A 98 -19.603 -11.068 -19.220 1.00 3.44 H new ATOM 0 HD2 LYS A 98 -20.679 -8.924 -18.634 1.00 75.23 H new ATOM 0 HD3 LYS A 98 -19.530 -8.051 -19.629 1.00 75.23 H new ATOM 0 HE2 LYS A 98 -20.778 -10.191 -21.167 1.00 1.21 H new ATOM 0 HE3 LYS A 98 -22.004 -9.173 -20.437 1.00 1.21 H new ATOM 0 HZ1 LYS A 98 -21.350 -8.342 -22.601 1.00 30.34 H new ATOM 0 HZ2 LYS A 98 -20.919 -7.225 -21.397 1.00 30.34 H new ATOM 0 HZ3 LYS A 98 -19.731 -8.211 -22.105 1.00 30.34 H new ATOM 1569 N GLU A 99 -17.006 -7.135 -17.555 1.00 51.55 N ATOM 1570 CA GLU A 99 -17.114 -5.682 -17.494 1.00 5.44 C ATOM 1571 C GLU A 99 -15.940 -5.018 -18.208 1.00 62.45 C ATOM 1572 O GLU A 99 -16.111 -4.025 -18.915 1.00 24.22 O ATOM 1573 CB GLU A 99 -17.169 -5.214 -16.038 1.00 4.32 C ATOM 1574 CG GLU A 99 -17.453 -3.729 -15.886 1.00 53.12 C ATOM 1575 CD GLU A 99 -18.817 -3.455 -15.282 1.00 61.11 C ATOM 1576 OE1 GLU A 99 -19.797 -3.355 -16.049 1.00 71.31 O ATOM 1577 OE2 GLU A 99 -18.903 -3.341 -14.041 1.00 53.23 O ATOM 0 H GLU A 99 -17.038 -7.600 -16.648 1.00 51.55 H new ATOM 0 HA GLU A 99 -18.035 -5.390 -17.998 1.00 5.44 H new ATOM 0 HB2 GLU A 99 -17.940 -5.778 -15.513 1.00 4.32 H new ATOM 0 HB3 GLU A 99 -16.220 -5.445 -15.555 1.00 4.32 H new ATOM 0 HG2 GLU A 99 -16.684 -3.278 -15.258 1.00 53.12 H new ATOM 0 HG3 GLU A 99 -17.389 -3.249 -16.862 1.00 53.12 H new ATOM 1584 N ALA A 100 -14.748 -5.575 -18.019 1.00 30.12 N ATOM 1585 CA ALA A 100 -13.546 -5.039 -18.646 1.00 31.52 C ATOM 1586 C ALA A 100 -13.552 -5.293 -20.150 1.00 11.54 C ATOM 1587 O ALA A 100 -12.951 -4.541 -20.918 1.00 65.34 O ATOM 1588 CB ALA A 100 -12.304 -5.647 -18.011 1.00 71.42 C ATOM 0 H ALA A 100 -14.589 -6.397 -17.437 1.00 30.12 H new ATOM 0 HA ALA A 100 -13.532 -3.961 -18.486 1.00 31.52 H new ATOM 0 HB1 ALA A 100 -11.414 -5.238 -18.489 1.00 71.42 H new ATOM 0 HB2 ALA A 100 -12.286 -5.410 -16.947 1.00 71.42 H new ATOM 0 HB3 ALA A 100 -12.321 -6.729 -18.142 1.00 71.42 H new ATOM 1594 N LEU A 101 -14.234 -6.355 -20.563 1.00 53.32 N ATOM 1595 CA LEU A 101 -14.318 -6.708 -21.976 1.00 41.52 C ATOM 1596 C LEU A 101 -15.266 -5.770 -22.716 1.00 51.44 C ATOM 1597 O LEU A 101 -14.932 -5.243 -23.778 1.00 24.50 O ATOM 1598 CB LEU A 101 -14.788 -8.155 -22.134 1.00 3.32 C ATOM 1599 CG LEU A 101 -14.171 -8.938 -23.293 1.00 23.20 C ATOM 1600 CD1 LEU A 101 -14.407 -8.217 -24.611 1.00 12.33 C ATOM 1601 CD2 LEU A 101 -12.682 -9.152 -23.060 1.00 33.34 C ATOM 0 H LEU A 101 -14.737 -6.987 -19.940 1.00 53.32 H new ATOM 0 HA LEU A 101 -13.323 -6.606 -22.410 1.00 41.52 H new ATOM 0 HB2 LEU A 101 -14.575 -8.688 -21.207 1.00 3.32 H new ATOM 0 HB3 LEU A 101 -15.871 -8.153 -22.259 1.00 3.32 H new ATOM 0 HG LEU A 101 -14.655 -9.913 -23.344 1.00 23.20 H new ATOM 0 HD11 LEU A 101 -13.961 -8.790 -25.424 1.00 12.33 H new ATOM 0 HD12 LEU A 101 -15.478 -8.116 -24.784 1.00 12.33 H new ATOM 0 HD13 LEU A 101 -13.951 -7.228 -24.571 1.00 12.33 H new ATOM 0 HD21 LEU A 101 -12.260 -9.711 -23.895 1.00 33.34 H new ATOM 0 HD22 LEU A 101 -12.184 -8.186 -22.981 1.00 33.34 H new ATOM 0 HD23 LEU A 101 -12.535 -9.713 -22.137 1.00 33.34 H new ATOM 1613 N ASP A 102 -16.449 -5.564 -22.148 1.00 50.52 N ATOM 1614 CA ASP A 102 -17.445 -4.686 -22.752 1.00 60.13 C ATOM 1615 C ASP A 102 -16.880 -3.284 -22.958 1.00 74.04 C ATOM 1616 O ASP A 102 -17.105 -2.659 -23.995 1.00 45.21 O ATOM 1617 CB ASP A 102 -18.697 -4.621 -21.876 1.00 72.54 C ATOM 1618 CG ASP A 102 -19.959 -4.399 -22.686 1.00 73.13 C ATOM 1619 OD1 ASP A 102 -19.869 -3.784 -23.769 1.00 50.34 O ATOM 1620 OD2 ASP A 102 -21.037 -4.841 -22.237 1.00 73.24 O ATOM 0 H ASP A 102 -16.742 -5.993 -21.270 1.00 50.52 H new ATOM 0 HA ASP A 102 -17.713 -5.097 -23.725 1.00 60.13 H new ATOM 0 HB2 ASP A 102 -18.790 -5.548 -21.311 1.00 72.54 H new ATOM 0 HB3 ASP A 102 -18.588 -3.815 -21.150 1.00 72.54 H new ATOM 1625 N LYS A 103 -16.148 -2.795 -21.964 1.00 4.31 N ATOM 1626 CA LYS A 103 -15.550 -1.467 -22.035 1.00 10.42 C ATOM 1627 C LYS A 103 -14.701 -1.319 -23.293 1.00 43.51 C ATOM 1628 O LYS A 103 -14.659 -0.249 -23.902 1.00 63.23 O ATOM 1629 CB LYS A 103 -14.693 -1.204 -20.794 1.00 51.44 C ATOM 1630 CG LYS A 103 -14.974 0.135 -20.134 1.00 20.13 C ATOM 1631 CD LYS A 103 -15.821 -0.028 -18.882 1.00 44.35 C ATOM 1632 CE LYS A 103 -17.304 0.108 -19.191 1.00 43.24 C ATOM 1633 NZ LYS A 103 -18.133 -0.785 -18.335 1.00 43.23 N ATOM 0 H LYS A 103 -15.954 -3.299 -21.098 1.00 4.31 H new ATOM 0 HA LYS A 103 -16.356 -0.734 -22.074 1.00 10.42 H new ATOM 0 HB2 LYS A 103 -14.864 -2.000 -20.069 1.00 51.44 H new ATOM 0 HB3 LYS A 103 -13.640 -1.248 -21.074 1.00 51.44 H new ATOM 0 HG2 LYS A 103 -14.032 0.620 -19.877 1.00 20.13 H new ATOM 0 HG3 LYS A 103 -15.487 0.789 -20.839 1.00 20.13 H new ATOM 0 HD2 LYS A 103 -15.629 -1.004 -18.436 1.00 44.35 H new ATOM 0 HD3 LYS A 103 -15.531 0.721 -18.145 1.00 44.35 H new ATOM 0 HE2 LYS A 103 -17.613 1.143 -19.042 1.00 43.24 H new ATOM 0 HE3 LYS A 103 -17.480 -0.129 -20.240 1.00 43.24 H new ATOM 0 HZ1 LYS A 103 -19.137 -0.663 -18.576 1.00 43.23 H new ATOM 0 HZ2 LYS A 103 -17.856 -1.775 -18.495 1.00 43.23 H new ATOM 0 HZ3 LYS A 103 -17.985 -0.542 -17.335 1.00 43.23 H new ATOM 1647 N ILE A 104 -14.027 -2.398 -23.677 1.00 54.43 N ATOM 1648 CA ILE A 104 -13.182 -2.387 -24.865 1.00 22.34 C ATOM 1649 C ILE A 104 -14.018 -2.489 -26.136 1.00 21.32 C ATOM 1650 O ILE A 104 -13.795 -1.755 -27.097 1.00 45.14 O ATOM 1651 CB ILE A 104 -12.163 -3.542 -24.840 1.00 4.41 C ATOM 1652 CG1 ILE A 104 -11.285 -3.449 -23.590 1.00 20.31 C ATOM 1653 CG2 ILE A 104 -11.307 -3.519 -26.097 1.00 64.35 C ATOM 1654 CD1 ILE A 104 -10.465 -4.694 -23.334 1.00 63.34 C ATOM 0 H ILE A 104 -14.050 -3.290 -23.183 1.00 54.43 H new ATOM 0 HA ILE A 104 -12.645 -1.438 -24.862 1.00 22.34 H new ATOM 0 HB ILE A 104 -12.706 -4.486 -24.810 1.00 4.41 H new ATOM 0 HG12 ILE A 104 -10.614 -2.596 -23.690 1.00 20.31 H new ATOM 0 HG13 ILE A 104 -11.919 -3.257 -22.724 1.00 20.31 H new ATOM 0 HG21 ILE A 104 -10.592 -4.341 -26.065 1.00 64.35 H new ATOM 0 HG22 ILE A 104 -11.945 -3.627 -26.974 1.00 64.35 H new ATOM 0 HG23 ILE A 104 -10.770 -2.572 -26.154 1.00 64.35 H new ATOM 0 HD11 ILE A 104 -9.867 -4.557 -22.433 1.00 63.34 H new ATOM 0 HD12 ILE A 104 -11.130 -5.547 -23.202 1.00 63.34 H new ATOM 0 HD13 ILE A 104 -9.805 -4.876 -24.183 1.00 63.34 H new ATOM 1666 N GLU A 105 -14.983 -3.404 -26.131 1.00 64.13 N ATOM 1667 CA GLU A 105 -15.853 -3.601 -27.285 1.00 1.04 C ATOM 1668 C GLU A 105 -16.607 -2.318 -27.622 1.00 41.05 C ATOM 1669 O GLU A 105 -16.975 -2.088 -28.774 1.00 3.31 O ATOM 1670 CB GLU A 105 -16.846 -4.733 -27.014 1.00 72.15 C ATOM 1671 CG GLU A 105 -16.196 -6.103 -26.918 1.00 71.11 C ATOM 1672 CD GLU A 105 -16.302 -6.891 -28.209 1.00 72.31 C ATOM 1673 OE1 GLU A 105 -17.435 -7.080 -28.698 1.00 54.24 O ATOM 1674 OE2 GLU A 105 -15.251 -7.319 -28.730 1.00 70.52 O ATOM 0 H GLU A 105 -15.182 -4.019 -25.342 1.00 64.13 H new ATOM 0 HA GLU A 105 -15.229 -3.870 -28.138 1.00 1.04 H new ATOM 0 HB2 GLU A 105 -17.376 -4.526 -26.084 1.00 72.15 H new ATOM 0 HB3 GLU A 105 -17.592 -4.749 -27.809 1.00 72.15 H new ATOM 0 HG2 GLU A 105 -15.145 -5.985 -26.654 1.00 71.11 H new ATOM 0 HG3 GLU A 105 -16.665 -6.668 -26.112 1.00 71.11 H new ATOM 1681 N GLU A 106 -16.833 -1.487 -26.610 1.00 33.24 N ATOM 1682 CA GLU A 106 -17.545 -0.229 -26.799 1.00 45.53 C ATOM 1683 C GLU A 106 -16.645 0.810 -27.463 1.00 40.02 C ATOM 1684 O GLU A 106 -17.109 1.635 -28.250 1.00 25.20 O ATOM 1685 CB GLU A 106 -18.052 0.303 -25.457 1.00 41.53 C ATOM 1686 CG GLU A 106 -19.565 0.265 -25.320 1.00 24.21 C ATOM 1687 CD GLU A 106 -20.273 0.931 -26.483 1.00 52.41 C ATOM 1688 OE1 GLU A 106 -19.918 2.081 -26.815 1.00 4.40 O ATOM 1689 OE2 GLU A 106 -21.184 0.302 -27.062 1.00 22.04 O ATOM 0 H GLU A 106 -16.533 -1.662 -25.651 1.00 33.24 H new ATOM 0 HA GLU A 106 -18.397 -0.418 -27.452 1.00 45.53 H new ATOM 0 HB2 GLU A 106 -17.608 -0.283 -24.652 1.00 41.53 H new ATOM 0 HB3 GLU A 106 -17.710 1.330 -25.330 1.00 41.53 H new ATOM 0 HG2 GLU A 106 -19.893 -0.772 -25.245 1.00 24.21 H new ATOM 0 HG3 GLU A 106 -19.855 0.759 -24.392 1.00 24.21 H new ATOM 1696 N GLU A 107 -15.357 0.762 -27.139 1.00 44.31 N ATOM 1697 CA GLU A 107 -14.393 1.700 -27.703 1.00 25.11 C ATOM 1698 C GLU A 107 -14.056 1.333 -29.146 1.00 35.05 C ATOM 1699 O GLU A 107 -13.746 2.201 -29.961 1.00 11.14 O ATOM 1700 CB GLU A 107 -13.116 1.721 -26.860 1.00 3.50 C ATOM 1701 CG GLU A 107 -13.272 2.453 -25.537 1.00 61.23 C ATOM 1702 CD GLU A 107 -12.080 2.260 -24.620 1.00 1.31 C ATOM 1703 OE1 GLU A 107 -10.955 2.622 -25.025 1.00 55.24 O ATOM 1704 OE2 GLU A 107 -12.271 1.748 -23.497 1.00 71.25 O ATOM 0 H GLU A 107 -14.957 0.085 -26.490 1.00 44.31 H new ATOM 0 HA GLU A 107 -14.843 2.693 -27.694 1.00 25.11 H new ATOM 0 HB2 GLU A 107 -12.803 0.695 -26.664 1.00 3.50 H new ATOM 0 HB3 GLU A 107 -12.319 2.193 -27.435 1.00 3.50 H new ATOM 0 HG2 GLU A 107 -13.410 3.517 -25.729 1.00 61.23 H new ATOM 0 HG3 GLU A 107 -14.173 2.100 -25.035 1.00 61.23 H new ATOM 1711 N GLN A 108 -14.121 0.041 -29.452 1.00 4.24 N ATOM 1712 CA GLN A 108 -13.822 -0.441 -30.795 1.00 0.20 C ATOM 1713 C GLN A 108 -15.072 -1.009 -31.460 1.00 5.31 C ATOM 1714 O GLN A 108 -14.984 -1.865 -32.338 1.00 62.35 O ATOM 1715 CB GLN A 108 -12.727 -1.507 -30.745 1.00 62.52 C ATOM 1716 CG GLN A 108 -11.372 -0.969 -30.316 1.00 3.41 C ATOM 1717 CD GLN A 108 -10.777 -0.010 -31.329 1.00 14.24 C ATOM 1718 OE1 GLN A 108 -11.093 1.180 -31.334 1.00 13.43 O ATOM 1719 NE2 GLN A 108 -9.911 -0.524 -32.194 1.00 30.04 N ATOM 0 H GLN A 108 -14.378 -0.690 -28.789 1.00 4.24 H new ATOM 0 HA GLN A 108 -13.470 0.404 -31.387 1.00 0.20 H new ATOM 0 HB2 GLN A 108 -13.030 -2.295 -30.056 1.00 62.52 H new ATOM 0 HB3 GLN A 108 -12.632 -1.964 -31.730 1.00 62.52 H new ATOM 0 HG2 GLN A 108 -11.474 -0.461 -29.357 1.00 3.41 H new ATOM 0 HG3 GLN A 108 -10.686 -1.802 -30.164 1.00 3.41 H new ATOM 0 HE21 GLN A 108 -9.678 -1.516 -32.154 1.00 30.04 H new ATOM 0 HE22 GLN A 108 -9.479 0.073 -32.899 1.00 30.04 H new ATOM 1728 N ASN A 109 -16.234 -0.526 -31.034 1.00 11.42 N ATOM 1729 CA ASN A 109 -17.502 -0.986 -31.588 1.00 32.14 C ATOM 1730 C ASN A 109 -17.582 -0.691 -33.082 1.00 73.13 C ATOM 1731 O ASN A 109 -18.250 -1.403 -33.832 1.00 73.14 O ATOM 1732 CB ASN A 109 -18.672 -0.319 -30.861 1.00 70.13 C ATOM 1733 CG ASN A 109 -19.869 -1.241 -30.724 1.00 43.54 C ATOM 1734 OD1 ASN A 109 -20.782 -1.216 -31.549 1.00 73.52 O ATOM 1735 ND2 ASN A 109 -19.868 -2.059 -29.678 1.00 55.25 N ATOM 0 H ASN A 109 -16.324 0.184 -30.307 1.00 11.42 H new ATOM 0 HA ASN A 109 -17.562 -2.065 -31.446 1.00 32.14 H new ATOM 0 HB2 ASN A 109 -18.347 -0.001 -29.871 1.00 70.13 H new ATOM 0 HB3 ASN A 109 -18.969 0.579 -31.403 1.00 70.13 H new ATOM 0 HD21 ASN A 109 -20.646 -2.702 -29.533 1.00 55.25 H new ATOM 0 HD22 ASN A 109 -19.089 -2.044 -29.020 1.00 55.25 H new ATOM 1742 N LYS A 110 -16.896 0.364 -33.509 1.00 60.41 N ATOM 1743 CA LYS A 110 -16.887 0.753 -34.914 1.00 44.41 C ATOM 1744 C LYS A 110 -16.033 -0.205 -35.739 1.00 12.21 C ATOM 1745 O LYS A 110 -16.286 -0.412 -36.926 1.00 14.24 O ATOM 1746 CB LYS A 110 -16.359 2.182 -35.065 1.00 24.12 C ATOM 1747 CG LYS A 110 -16.894 2.902 -36.290 1.00 41.12 C ATOM 1748 CD LYS A 110 -17.301 4.330 -35.965 1.00 23.52 C ATOM 1749 CE LYS A 110 -16.117 5.281 -36.055 1.00 73.31 C ATOM 1750 NZ LYS A 110 -15.398 5.396 -34.756 1.00 53.41 N ATOM 0 H LYS A 110 -16.339 0.965 -32.902 1.00 60.41 H new ATOM 0 HA LYS A 110 -17.911 0.709 -35.284 1.00 44.41 H new ATOM 0 HB2 LYS A 110 -16.622 2.753 -34.175 1.00 24.12 H new ATOM 0 HB3 LYS A 110 -15.271 2.155 -35.117 1.00 24.12 H new ATOM 0 HG2 LYS A 110 -16.133 2.908 -37.070 1.00 41.12 H new ATOM 0 HG3 LYS A 110 -17.752 2.359 -36.686 1.00 41.12 H new ATOM 0 HD2 LYS A 110 -18.082 4.653 -36.654 1.00 23.52 H new ATOM 0 HD3 LYS A 110 -17.725 4.369 -34.962 1.00 23.52 H new ATOM 0 HE2 LYS A 110 -15.427 4.930 -36.822 1.00 73.31 H new ATOM 0 HE3 LYS A 110 -16.465 6.266 -36.366 1.00 73.31 H new ATOM 0 HZ1 LYS A 110 -14.598 6.053 -34.859 1.00 53.41 H new ATOM 0 HZ2 LYS A 110 -16.050 5.755 -34.029 1.00 53.41 H new ATOM 0 HZ3 LYS A 110 -15.043 4.461 -34.471 1.00 53.41 H new ATOM 1764 N SER A 111 -15.023 -0.788 -35.102 1.00 44.22 N ATOM 1765 CA SER A 111 -14.131 -1.723 -35.778 1.00 44.41 C ATOM 1766 C SER A 111 -14.741 -3.120 -35.822 1.00 61.25 C ATOM 1767 O SER A 111 -14.668 -3.811 -36.839 1.00 43.21 O ATOM 1768 CB SER A 111 -12.775 -1.768 -35.071 1.00 65.13 C ATOM 1769 OG SER A 111 -12.202 -3.062 -35.148 1.00 74.35 O ATOM 0 H SER A 111 -14.802 -0.630 -34.119 1.00 44.22 H new ATOM 0 HA SER A 111 -13.988 -1.376 -36.801 1.00 44.41 H new ATOM 0 HB2 SER A 111 -12.101 -1.041 -35.524 1.00 65.13 H new ATOM 0 HB3 SER A 111 -12.897 -1.482 -34.026 1.00 65.13 H new ATOM 0 HG SER A 111 -11.335 -3.064 -34.690 1.00 74.35 H new ATOM 1775 N LYS A 112 -15.344 -3.531 -34.712 1.00 24.11 N ATOM 1776 CA LYS A 112 -15.969 -4.845 -34.622 1.00 22.35 C ATOM 1777 C LYS A 112 -16.989 -5.040 -35.738 1.00 75.31 C ATOM 1778 O LYS A 112 -17.015 -6.081 -36.395 1.00 73.22 O ATOM 1779 CB LYS A 112 -16.647 -5.018 -33.260 1.00 42.34 C ATOM 1780 CG LYS A 112 -16.359 -6.356 -32.603 1.00 23.05 C ATOM 1781 CD LYS A 112 -16.916 -7.510 -33.419 1.00 31.12 C ATOM 1782 CE LYS A 112 -15.813 -8.448 -33.883 1.00 63.24 C ATOM 1783 NZ LYS A 112 -15.106 -9.084 -32.737 1.00 70.12 N ATOM 0 H LYS A 112 -15.413 -2.972 -33.861 1.00 24.11 H new ATOM 0 HA LYS A 112 -15.189 -5.599 -34.731 1.00 22.35 H new ATOM 0 HB2 LYS A 112 -16.319 -4.218 -32.596 1.00 42.34 H new ATOM 0 HB3 LYS A 112 -17.724 -4.908 -33.383 1.00 42.34 H new ATOM 0 HG2 LYS A 112 -15.283 -6.480 -32.484 1.00 23.05 H new ATOM 0 HG3 LYS A 112 -16.794 -6.373 -31.604 1.00 23.05 H new ATOM 0 HD2 LYS A 112 -17.639 -8.065 -32.821 1.00 31.12 H new ATOM 0 HD3 LYS A 112 -17.451 -7.120 -34.285 1.00 31.12 H new ATOM 0 HE2 LYS A 112 -16.239 -9.222 -34.521 1.00 63.24 H new ATOM 0 HE3 LYS A 112 -15.096 -7.894 -34.489 1.00 63.24 H new ATOM 0 HZ1 LYS A 112 -14.672 -9.976 -33.049 1.00 70.12 H new ATOM 0 HZ2 LYS A 112 -14.366 -8.443 -32.387 1.00 70.12 H new ATOM 0 HZ3 LYS A 112 -15.786 -9.278 -31.974 1.00 70.12 H new ATOM 1797 N LYS A 113 -17.829 -4.032 -35.949 1.00 43.00 N ATOM 1798 CA LYS A 113 -18.850 -4.090 -36.988 1.00 60.50 C ATOM 1799 C LYS A 113 -18.224 -4.362 -38.352 1.00 64.10 C ATOM 1800 O LYS A 113 -18.844 -4.976 -39.221 1.00 2.04 O ATOM 1801 CB LYS A 113 -19.640 -2.781 -37.030 1.00 11.54 C ATOM 1802 CG LYS A 113 -21.093 -2.933 -36.613 1.00 41.05 C ATOM 1803 CD LYS A 113 -21.805 -1.591 -36.572 1.00 61.33 C ATOM 1804 CE LYS A 113 -22.786 -1.445 -37.725 1.00 72.52 C ATOM 1805 NZ LYS A 113 -24.081 -2.123 -37.441 1.00 32.45 N ATOM 0 H LYS A 113 -17.822 -3.164 -35.413 1.00 43.00 H new ATOM 0 HA LYS A 113 -19.529 -4.909 -36.749 1.00 60.50 H new ATOM 0 HB2 LYS A 113 -19.157 -2.054 -36.377 1.00 11.54 H new ATOM 0 HB3 LYS A 113 -19.602 -2.376 -38.041 1.00 11.54 H new ATOM 0 HG2 LYS A 113 -21.605 -3.596 -37.310 1.00 41.05 H new ATOM 0 HG3 LYS A 113 -21.143 -3.403 -35.631 1.00 41.05 H new ATOM 0 HD2 LYS A 113 -22.336 -1.489 -35.626 1.00 61.33 H new ATOM 0 HD3 LYS A 113 -21.070 -0.787 -36.614 1.00 61.33 H new ATOM 0 HE2 LYS A 113 -22.965 -0.387 -37.918 1.00 72.52 H new ATOM 0 HE3 LYS A 113 -22.347 -1.865 -38.630 1.00 72.52 H new ATOM 0 HZ1 LYS A 113 -24.722 -2.000 -38.251 1.00 32.45 H new ATOM 0 HZ2 LYS A 113 -23.914 -3.137 -37.282 1.00 32.45 H new ATOM 0 HZ3 LYS A 113 -24.512 -1.706 -36.592 1.00 32.45 H new ATOM 1819 N LYS A 114 -16.990 -3.902 -38.534 1.00 32.53 N ATOM 1820 CA LYS A 114 -16.278 -4.098 -39.791 1.00 2.12 C ATOM 1821 C LYS A 114 -15.251 -5.219 -39.666 1.00 33.22 C ATOM 1822 O LYS A 114 -14.181 -5.164 -40.270 1.00 41.43 O ATOM 1823 CB LYS A 114 -15.584 -2.801 -40.214 1.00 64.42 C ATOM 1824 CG LYS A 114 -15.386 -2.679 -41.715 1.00 61.52 C ATOM 1825 CD LYS A 114 -15.285 -1.226 -42.148 1.00 62.51 C ATOM 1826 CE LYS A 114 -13.856 -0.714 -42.051 1.00 21.20 C ATOM 1827 NZ LYS A 114 -13.391 -0.121 -43.335 1.00 40.32 N ATOM 0 H LYS A 114 -16.463 -3.391 -37.826 1.00 32.53 H new ATOM 0 HA LYS A 114 -17.006 -4.380 -40.552 1.00 2.12 H new ATOM 0 HB2 LYS A 114 -16.172 -1.953 -39.863 1.00 64.42 H new ATOM 0 HB3 LYS A 114 -14.613 -2.741 -39.722 1.00 64.42 H new ATOM 0 HG2 LYS A 114 -14.481 -3.211 -42.008 1.00 61.52 H new ATOM 0 HG3 LYS A 114 -16.218 -3.157 -42.233 1.00 61.52 H new ATOM 0 HD2 LYS A 114 -15.640 -1.125 -43.174 1.00 62.51 H new ATOM 0 HD3 LYS A 114 -15.935 -0.613 -41.524 1.00 62.51 H new ATOM 0 HE2 LYS A 114 -13.791 0.034 -41.261 1.00 21.20 H new ATOM 0 HE3 LYS A 114 -13.195 -1.534 -41.769 1.00 21.20 H new ATOM 0 HZ1 LYS A 114 -12.413 0.216 -43.228 1.00 40.32 H new ATOM 0 HZ2 LYS A 114 -13.429 -0.842 -44.084 1.00 40.32 H new ATOM 0 HZ3 LYS A 114 -14.006 0.677 -43.592 1.00 40.32 H new ATOM 1841 N ALA A 115 -15.586 -6.237 -38.879 1.00 2.52 N ATOM 1842 CA ALA A 115 -14.694 -7.372 -38.678 1.00 35.20 C ATOM 1843 C ALA A 115 -15.484 -8.652 -38.427 1.00 72.31 C ATOM 1844 O ALA A 115 -14.998 -9.573 -37.770 1.00 54.34 O ATOM 1845 CB ALA A 115 -13.745 -7.100 -37.520 1.00 53.14 C ATOM 0 H ALA A 115 -16.468 -6.298 -38.371 1.00 2.52 H new ATOM 0 HA ALA A 115 -14.109 -7.508 -39.588 1.00 35.20 H new ATOM 0 HB1 ALA A 115 -13.085 -7.956 -37.382 1.00 53.14 H new ATOM 0 HB2 ALA A 115 -13.149 -6.214 -37.738 1.00 53.14 H new ATOM 0 HB3 ALA A 115 -14.320 -6.935 -36.609 1.00 53.14 H new ATOM 1851 N GLN A 116 -16.704 -8.703 -38.953 1.00 44.44 N ATOM 1852 CA GLN A 116 -17.561 -9.870 -38.784 1.00 65.24 C ATOM 1853 C GLN A 116 -18.695 -9.865 -39.804 1.00 1.02 C ATOM 1854 O GLN A 116 -19.856 -10.074 -39.454 1.00 52.11 O ATOM 1855 CB GLN A 116 -18.133 -9.908 -37.367 1.00 13.35 C ATOM 1856 CG GLN A 116 -18.860 -8.633 -36.970 1.00 1.21 C ATOM 1857 CD GLN A 116 -20.310 -8.878 -36.601 1.00 62.02 C ATOM 1858 OE1 GLN A 116 -21.218 -8.584 -37.379 1.00 33.43 O ATOM 1859 NE2 GLN A 116 -20.534 -9.419 -35.410 1.00 35.24 N ATOM 0 H GLN A 116 -17.121 -7.949 -39.500 1.00 44.44 H new ATOM 0 HA GLN A 116 -16.955 -10.761 -38.947 1.00 65.24 H new ATOM 0 HB2 GLN A 116 -18.821 -10.749 -37.284 1.00 13.35 H new ATOM 0 HB3 GLN A 116 -17.322 -10.089 -36.661 1.00 13.35 H new ATOM 0 HG2 GLN A 116 -18.347 -8.175 -36.125 1.00 1.21 H new ATOM 0 HG3 GLN A 116 -18.814 -7.922 -37.795 1.00 1.21 H new ATOM 0 HE21 GLN A 116 -19.751 -9.647 -34.798 1.00 35.24 H new ATOM 0 HE22 GLN A 116 -21.490 -9.607 -35.107 1.00 35.24 H new ATOM 1868 N GLN A 117 -18.350 -9.625 -41.065 1.00 2.44 N ATOM 1869 CA GLN A 117 -19.340 -9.591 -42.134 1.00 74.31 C ATOM 1870 C GLN A 117 -20.119 -10.901 -42.195 1.00 55.05 C ATOM 1871 O GLN A 117 -21.338 -10.902 -42.367 1.00 60.05 O ATOM 1872 CB GLN A 117 -18.661 -9.325 -43.479 1.00 14.44 C ATOM 1873 CG GLN A 117 -19.636 -9.200 -44.638 1.00 53.53 C ATOM 1874 CD GLN A 117 -18.996 -8.605 -45.877 1.00 71.33 C ATOM 1875 OE1 GLN A 117 -17.890 -8.067 -45.821 1.00 51.14 O ATOM 1876 NE2 GLN A 117 -19.690 -8.700 -47.006 1.00 23.12 N ATOM 0 H GLN A 117 -17.393 -9.451 -41.371 1.00 2.44 H new ATOM 0 HA GLN A 117 -20.039 -8.782 -41.922 1.00 74.31 H new ATOM 0 HB2 GLN A 117 -18.076 -8.408 -43.406 1.00 14.44 H new ATOM 0 HB3 GLN A 117 -17.961 -10.134 -43.689 1.00 14.44 H new ATOM 0 HG2 GLN A 117 -20.037 -10.185 -44.878 1.00 53.53 H new ATOM 0 HG3 GLN A 117 -20.478 -8.578 -44.334 1.00 53.53 H new ATOM 0 HE21 GLN A 117 -20.603 -9.154 -47.007 1.00 23.12 H new ATOM 0 HE22 GLN A 117 -19.310 -8.319 -47.872 1.00 23.12 H new ATOM 1885 N ALA A 118 -19.408 -12.014 -42.054 1.00 63.30 N ATOM 1886 CA ALA A 118 -20.033 -13.331 -42.092 1.00 2.42 C ATOM 1887 C ALA A 118 -20.879 -13.572 -40.846 1.00 60.44 C ATOM 1888 O ALA A 118 -21.868 -14.303 -40.889 1.00 31.31 O ATOM 1889 CB ALA A 118 -18.974 -14.414 -42.231 1.00 63.01 C ATOM 0 H ALA A 118 -18.398 -12.031 -41.912 1.00 63.30 H new ATOM 0 HA ALA A 118 -20.691 -13.369 -42.960 1.00 2.42 H new ATOM 0 HB1 ALA A 118 -19.455 -15.392 -42.258 1.00 63.01 H new ATOM 0 HB2 ALA A 118 -18.414 -14.259 -43.153 1.00 63.01 H new ATOM 0 HB3 ALA A 118 -18.293 -14.368 -41.381 1.00 63.01 H new ATOM 1895 N ALA A 119 -20.483 -12.954 -39.738 1.00 70.35 N ATOM 1896 CA ALA A 119 -21.206 -13.102 -38.481 1.00 51.25 C ATOM 1897 C ALA A 119 -22.146 -11.924 -38.248 1.00 32.14 C ATOM 1898 O ALA A 119 -22.328 -11.479 -37.115 1.00 14.30 O ATOM 1899 CB ALA A 119 -20.229 -13.238 -37.323 1.00 41.42 C ATOM 0 H ALA A 119 -19.666 -12.346 -39.685 1.00 70.35 H new ATOM 0 HA ALA A 119 -21.809 -14.008 -38.541 1.00 51.25 H new ATOM 0 HB1 ALA A 119 -20.783 -13.348 -36.391 1.00 41.42 H new ATOM 0 HB2 ALA A 119 -19.601 -14.116 -37.478 1.00 41.42 H new ATOM 0 HB3 ALA A 119 -19.602 -12.348 -37.270 1.00 41.42 H new ATOM 1905 N ALA A 120 -22.740 -11.424 -39.326 1.00 51.31 N ATOM 1906 CA ALA A 120 -23.662 -10.298 -39.237 1.00 73.55 C ATOM 1907 C ALA A 120 -25.015 -10.648 -39.848 1.00 51.04 C ATOM 1908 O ALA A 120 -25.590 -9.860 -40.600 1.00 2.03 O ATOM 1909 CB ALA A 120 -23.071 -9.076 -39.924 1.00 20.10 C ATOM 0 H ALA A 120 -22.600 -11.781 -40.271 1.00 51.31 H new ATOM 0 HA ALA A 120 -23.816 -10.069 -38.183 1.00 73.55 H new ATOM 0 HB1 ALA A 120 -23.770 -8.243 -39.850 1.00 20.10 H new ATOM 0 HB2 ALA A 120 -22.132 -8.806 -39.441 1.00 20.10 H new ATOM 0 HB3 ALA A 120 -22.887 -9.303 -40.974 1.00 20.10 H new ATOM 1915 N ASP A 121 -25.518 -11.833 -39.522 1.00 63.50 N ATOM 1916 CA ASP A 121 -26.804 -12.287 -40.039 1.00 23.33 C ATOM 1917 C ASP A 121 -27.616 -12.976 -38.946 1.00 62.13 C ATOM 1918 O ASP A 121 -28.420 -13.867 -39.223 1.00 12.41 O ATOM 1919 CB ASP A 121 -26.597 -13.242 -41.216 1.00 4.52 C ATOM 1920 CG ASP A 121 -27.803 -13.302 -42.132 1.00 13.24 C ATOM 1921 OD1 ASP A 121 -28.119 -12.273 -42.766 1.00 35.05 O ATOM 1922 OD2 ASP A 121 -28.431 -14.378 -42.215 1.00 50.10 O ATOM 0 H ASP A 121 -25.055 -12.497 -38.902 1.00 63.50 H new ATOM 0 HA ASP A 121 -27.358 -11.414 -40.383 1.00 23.33 H new ATOM 0 HB2 ASP A 121 -25.725 -12.925 -41.788 1.00 4.52 H new ATOM 0 HB3 ASP A 121 -26.383 -14.241 -40.836 1.00 4.52 H new ATOM 1927 N THR A 122 -27.399 -12.559 -37.703 1.00 12.23 N ATOM 1928 CA THR A 122 -28.109 -13.137 -36.568 1.00 44.52 C ATOM 1929 C THR A 122 -28.524 -12.059 -35.573 1.00 74.12 C ATOM 1930 O THR A 122 -27.993 -10.949 -35.587 1.00 75.40 O ATOM 1931 CB THR A 122 -27.246 -14.185 -35.841 1.00 60.32 C ATOM 1932 OG1 THR A 122 -27.954 -14.702 -34.709 1.00 21.21 O ATOM 1933 CG2 THR A 122 -25.926 -13.580 -35.387 1.00 72.04 C ATOM 0 H THR A 122 -26.737 -11.823 -37.456 1.00 12.23 H new ATOM 0 HA THR A 122 -29.000 -13.623 -36.966 1.00 44.52 H new ATOM 0 HB THR A 122 -27.034 -14.996 -36.538 1.00 60.32 H new ATOM 0 HG1 THR A 122 -27.399 -15.369 -34.253 1.00 21.21 H new ATOM 0 HG21 THR A 122 -25.334 -14.340 -34.876 1.00 72.04 H new ATOM 0 HG22 THR A 122 -25.376 -13.214 -36.254 1.00 72.04 H new ATOM 0 HG23 THR A 122 -26.121 -12.752 -34.705 1.00 72.04 H new ATOM 1941 N GLY A 123 -29.478 -12.394 -34.709 1.00 21.10 N ATOM 1942 CA GLY A 123 -29.948 -11.444 -33.718 1.00 52.32 C ATOM 1943 C GLY A 123 -28.945 -11.224 -32.603 1.00 61.32 C ATOM 1944 O GLY A 123 -28.089 -12.072 -32.354 1.00 32.23 O ATOM 0 H GLY A 123 -29.933 -13.306 -34.678 1.00 21.10 H new ATOM 0 HA2 GLY A 123 -30.160 -10.492 -34.204 1.00 52.32 H new ATOM 0 HA3 GLY A 123 -30.886 -11.801 -33.293 1.00 52.32 H new ATOM 1948 N ASN A 124 -29.049 -10.082 -31.932 1.00 31.01 N ATOM 1949 CA ASN A 124 -28.142 -9.753 -30.839 1.00 2.54 C ATOM 1950 C ASN A 124 -28.905 -9.161 -29.658 1.00 13.24 C ATOM 1951 O ASN A 124 -29.053 -7.945 -29.548 1.00 2.53 O ATOM 1952 CB ASN A 124 -27.073 -8.767 -31.315 1.00 1.22 C ATOM 1953 CG ASN A 124 -25.805 -8.844 -30.486 1.00 52.21 C ATOM 1954 OD1 ASN A 124 -25.126 -9.871 -30.464 1.00 14.44 O ATOM 1955 ND2 ASN A 124 -25.480 -7.755 -29.799 1.00 54.44 N ATOM 0 H ASN A 124 -29.752 -9.369 -32.126 1.00 31.01 H new ATOM 0 HA ASN A 124 -27.659 -10.674 -30.512 1.00 2.54 H new ATOM 0 HB2 ASN A 124 -26.834 -8.970 -32.359 1.00 1.22 H new ATOM 0 HB3 ASN A 124 -27.472 -7.754 -31.271 1.00 1.22 H new ATOM 0 HD21 ASN A 124 -24.638 -7.747 -29.223 1.00 54.44 H new ATOM 0 HD22 ASN A 124 -26.072 -6.926 -29.847 1.00 54.44 H new ATOM 1962 N ASN A 125 -29.388 -10.031 -28.776 1.00 41.23 N ATOM 1963 CA ASN A 125 -30.136 -9.595 -27.603 1.00 12.30 C ATOM 1964 C ASN A 125 -29.236 -8.830 -26.637 1.00 54.33 C ATOM 1965 O ASN A 125 -28.044 -9.116 -26.524 1.00 55.24 O ATOM 1966 CB ASN A 125 -30.759 -10.799 -26.893 1.00 4.52 C ATOM 1967 CG ASN A 125 -29.713 -11.752 -26.348 1.00 31.40 C ATOM 1968 OD1 ASN A 125 -29.081 -11.481 -25.327 1.00 35.33 O ATOM 1969 ND2 ASN A 125 -29.526 -12.877 -27.029 1.00 42.35 N ATOM 0 H ASN A 125 -29.274 -11.042 -28.852 1.00 41.23 H new ATOM 0 HA ASN A 125 -30.930 -8.928 -27.937 1.00 12.30 H new ATOM 0 HB2 ASN A 125 -31.389 -10.449 -26.075 1.00 4.52 H new ATOM 0 HB3 ASN A 125 -31.406 -11.333 -27.589 1.00 4.52 H new ATOM 0 HD21 ASN A 125 -28.836 -13.557 -26.710 1.00 42.35 H new ATOM 0 HD22 ASN A 125 -30.072 -13.061 -27.870 1.00 42.35 H new ATOM 1976 N SER A 126 -29.816 -7.856 -25.942 1.00 62.03 N ATOM 1977 CA SER A 126 -29.066 -7.047 -24.988 1.00 71.32 C ATOM 1978 C SER A 126 -29.300 -7.534 -23.561 1.00 70.34 C ATOM 1979 O SER A 126 -30.409 -7.931 -23.204 1.00 62.13 O ATOM 1980 CB SER A 126 -29.467 -5.576 -25.109 1.00 42.31 C ATOM 1981 OG SER A 126 -30.865 -5.442 -25.299 1.00 3.34 O ATOM 0 H SER A 126 -30.802 -7.608 -26.022 1.00 62.03 H new ATOM 0 HA SER A 126 -28.005 -7.147 -25.218 1.00 71.32 H new ATOM 0 HB2 SER A 126 -29.166 -5.039 -24.210 1.00 42.31 H new ATOM 0 HB3 SER A 126 -28.938 -5.119 -25.945 1.00 42.31 H new ATOM 0 HG SER A 126 -31.096 -4.492 -25.372 1.00 3.34 H new ATOM 1987 N GLN A 127 -28.247 -7.500 -22.751 1.00 61.42 N ATOM 1988 CA GLN A 127 -28.337 -7.939 -21.364 1.00 1.15 C ATOM 1989 C GLN A 127 -28.530 -6.750 -20.428 1.00 55.24 C ATOM 1990 O GLN A 127 -27.800 -5.762 -20.504 1.00 53.55 O ATOM 1991 CB GLN A 127 -27.078 -8.714 -20.969 1.00 15.32 C ATOM 1992 CG GLN A 127 -27.294 -10.215 -20.870 1.00 74.21 C ATOM 1993 CD GLN A 127 -27.252 -10.901 -22.222 1.00 11.15 C ATOM 1994 OE1 GLN A 127 -27.531 -10.286 -23.251 1.00 63.25 O ATOM 1995 NE2 GLN A 127 -26.902 -12.182 -22.225 1.00 13.10 N ATOM 0 H GLN A 127 -27.322 -7.173 -23.031 1.00 61.42 H new ATOM 0 HA GLN A 127 -29.203 -8.595 -21.273 1.00 1.15 H new ATOM 0 HB2 GLN A 127 -26.295 -8.515 -21.701 1.00 15.32 H new ATOM 0 HB3 GLN A 127 -26.719 -8.343 -20.009 1.00 15.32 H new ATOM 0 HG2 GLN A 127 -26.529 -10.646 -20.224 1.00 74.21 H new ATOM 0 HG3 GLN A 127 -28.257 -10.409 -20.398 1.00 74.21 H new ATOM 0 HE21 GLN A 127 -26.679 -12.652 -21.348 1.00 13.10 H new ATOM 0 HE22 GLN A 127 -26.856 -12.696 -23.105 1.00 13.10 H new ATOM 2004 N VAL A 128 -29.520 -6.852 -19.546 1.00 44.21 N ATOM 2005 CA VAL A 128 -29.809 -5.785 -18.595 1.00 70.13 C ATOM 2006 C VAL A 128 -29.256 -6.116 -17.213 1.00 54.35 C ATOM 2007 O VAL A 128 -28.962 -7.272 -16.912 1.00 21.32 O ATOM 2008 CB VAL A 128 -31.324 -5.529 -18.483 1.00 23.33 C ATOM 2009 CG1 VAL A 128 -31.899 -5.128 -19.832 1.00 75.23 C ATOM 2010 CG2 VAL A 128 -32.032 -6.759 -17.936 1.00 31.41 C ATOM 0 H VAL A 128 -30.135 -7.662 -19.471 1.00 44.21 H new ATOM 0 HA VAL A 128 -29.323 -4.885 -18.971 1.00 70.13 H new ATOM 0 HB VAL A 128 -31.486 -4.705 -17.788 1.00 23.33 H new ATOM 0 HG11 VAL A 128 -32.970 -4.951 -19.733 1.00 75.23 H new ATOM 0 HG12 VAL A 128 -31.412 -4.217 -20.179 1.00 75.23 H new ATOM 0 HG13 VAL A 128 -31.728 -5.928 -20.553 1.00 75.23 H new ATOM 0 HG21 VAL A 128 -33.101 -6.561 -17.863 1.00 31.41 H new ATOM 0 HG22 VAL A 128 -31.864 -7.603 -18.605 1.00 31.41 H new ATOM 0 HG23 VAL A 128 -31.639 -6.996 -16.947 1.00 31.41 H new ATOM 2020 N SER A 129 -29.119 -5.092 -16.377 1.00 24.12 N ATOM 2021 CA SER A 129 -28.598 -5.273 -15.027 1.00 20.12 C ATOM 2022 C SER A 129 -29.710 -5.129 -13.992 1.00 22.30 C ATOM 2023 O SER A 129 -30.365 -4.091 -13.911 1.00 10.24 O ATOM 2024 CB SER A 129 -27.489 -4.258 -14.745 1.00 2.22 C ATOM 2025 OG SER A 129 -26.763 -4.606 -13.578 1.00 54.22 O ATOM 0 H SER A 129 -29.361 -4.129 -16.610 1.00 24.12 H new ATOM 0 HA SER A 129 -28.186 -6.280 -14.955 1.00 20.12 H new ATOM 0 HB2 SER A 129 -26.811 -4.209 -15.597 1.00 2.22 H new ATOM 0 HB3 SER A 129 -27.922 -3.265 -14.625 1.00 2.22 H new ATOM 0 HG SER A 129 -26.059 -3.942 -13.421 1.00 54.22 H new ATOM 2031 N GLN A 130 -29.916 -6.180 -13.204 1.00 5.41 N ATOM 2032 CA GLN A 130 -30.948 -6.171 -12.175 1.00 33.04 C ATOM 2033 C GLN A 130 -30.350 -5.866 -10.805 1.00 42.04 C ATOM 2034 O GLN A 130 -30.716 -4.883 -10.162 1.00 62.15 O ATOM 2035 CB GLN A 130 -31.674 -7.517 -12.139 1.00 25.41 C ATOM 2036 CG GLN A 130 -32.682 -7.695 -13.262 1.00 62.35 C ATOM 2037 CD GLN A 130 -33.903 -8.484 -12.831 1.00 41.45 C ATOM 2038 OE1 GLN A 130 -33.948 -9.706 -12.971 1.00 21.21 O ATOM 2039 NE2 GLN A 130 -34.902 -7.786 -12.304 1.00 32.12 N ATOM 0 H GLN A 130 -29.382 -7.047 -13.259 1.00 5.41 H new ATOM 0 HA GLN A 130 -31.663 -5.386 -12.421 1.00 33.04 H new ATOM 0 HB2 GLN A 130 -30.938 -8.319 -12.193 1.00 25.41 H new ATOM 0 HB3 GLN A 130 -32.187 -7.618 -11.182 1.00 25.41 H new ATOM 0 HG2 GLN A 130 -32.996 -6.715 -13.622 1.00 62.35 H new ATOM 0 HG3 GLN A 130 -32.202 -8.203 -14.098 1.00 62.35 H new ATOM 0 HE21 GLN A 130 -34.821 -6.774 -12.207 1.00 32.12 H new ATOM 0 HE22 GLN A 130 -35.750 -8.262 -11.996 1.00 32.12 H new ATOM 2048 N ASN A 131 -29.427 -6.716 -10.366 1.00 15.14 N ATOM 2049 CA ASN A 131 -28.779 -6.537 -9.072 1.00 23.43 C ATOM 2050 C ASN A 131 -27.516 -5.691 -9.208 1.00 74.42 C ATOM 2051 O ASN A 131 -27.201 -5.198 -10.291 1.00 54.23 O ATOM 2052 CB ASN A 131 -28.432 -7.896 -8.460 1.00 23.20 C ATOM 2053 CG ASN A 131 -29.598 -8.865 -8.504 1.00 43.14 C ATOM 2054 OD1 ASN A 131 -30.725 -8.514 -8.155 1.00 43.41 O ATOM 2055 ND2 ASN A 131 -29.331 -10.092 -8.935 1.00 62.34 N ATOM 0 H ASN A 131 -29.112 -7.534 -10.887 1.00 15.14 H new ATOM 0 HA ASN A 131 -29.475 -6.016 -8.414 1.00 23.43 H new ATOM 0 HB2 ASN A 131 -27.585 -8.326 -8.994 1.00 23.20 H new ATOM 0 HB3 ASN A 131 -28.118 -7.756 -7.426 1.00 23.20 H new ATOM 0 HD21 ASN A 131 -30.075 -10.788 -8.987 1.00 62.34 H new ATOM 0 HD22 ASN A 131 -28.382 -10.339 -9.214 1.00 62.34 H new ATOM 2062 N TYR A 132 -26.798 -5.529 -8.103 1.00 44.10 N ATOM 2063 CA TYR A 132 -25.571 -4.741 -8.098 1.00 65.43 C ATOM 2064 C TYR A 132 -24.443 -5.493 -7.397 1.00 35.04 C ATOM 2065 O TYR A 132 -24.710 -6.485 -6.720 1.00 65.32 O ATOM 2066 CB TYR A 132 -25.806 -3.395 -7.411 1.00 32.41 C ATOM 2067 CG TYR A 132 -26.673 -2.450 -8.212 1.00 21.03 C ATOM 2068 CD1 TYR A 132 -28.056 -2.579 -8.216 1.00 72.10 C ATOM 2069 CD2 TYR A 132 -26.108 -1.427 -8.963 1.00 51.14 C ATOM 2070 CE1 TYR A 132 -28.852 -1.718 -8.947 1.00 24.11 C ATOM 2071 CE2 TYR A 132 -26.896 -0.560 -9.696 1.00 61.21 C ATOM 2072 CZ TYR A 132 -28.267 -0.710 -9.685 1.00 61.21 C ATOM 2073 OH TYR A 132 -29.056 0.150 -10.413 1.00 40.43 O ATOM 0 H TYR A 132 -27.044 -5.933 -7.199 1.00 44.10 H new ATOM 0 HA TYR A 132 -25.278 -4.566 -9.133 1.00 65.43 H new ATOM 0 HB2 TYR A 132 -26.272 -3.568 -6.441 1.00 32.41 H new ATOM 0 HB3 TYR A 132 -24.843 -2.920 -7.222 1.00 32.41 H new ATOM 0 HD1 TYR A 132 -28.517 -3.366 -7.638 1.00 72.10 H new ATOM 0 HD2 TYR A 132 -25.035 -1.307 -8.974 1.00 51.14 H new ATOM 0 HE1 TYR A 132 -29.926 -1.834 -8.941 1.00 24.11 H new ATOM 0 HE2 TYR A 132 -26.441 0.231 -10.274 1.00 61.21 H new ATOM 0 HH TYR A 132 -28.489 0.802 -10.875 1.00 40.43 H new TER 2083 TYR A 132 HETATM 2084 C1 MYR A 1 3.726 6.528 -9.969 1.00 65.41 C HETATM 2085 O1 MYR A 1 4.097 5.362 -10.104 1.00 52.22 O HETATM 2086 C2 MYR A 1 2.231 6.831 -10.069 1.00 52.34 C HETATM 2087 C3 MYR A 1 1.575 7.276 -8.742 1.00 1.15 C HETATM 2088 C4 MYR A 1 0.236 6.559 -8.488 1.00 11.41 C HETATM 2089 C5 MYR A 1 -0.665 7.339 -7.511 1.00 44.44 C HETATM 2090 C6 MYR A 1 -0.590 6.781 -6.078 1.00 24.23 C HETATM 2091 C7 MYR A 1 -1.970 6.348 -5.549 1.00 30.42 C HETATM 2092 C8 MYR A 1 -1.944 4.930 -4.946 1.00 14.44 C HETATM 2093 C9 MYR A 1 -1.588 4.942 -3.447 1.00 12.01 C HETATM 2094 C10 MYR A 1 -0.088 4.676 -3.201 1.00 15.34 C HETATM 2095 C11 MYR A 1 0.227 4.039 -1.831 1.00 2.31 C HETATM 2096 C12 MYR A 1 0.405 2.507 -1.869 1.00 15.05 C HETATM 2097 C13 MYR A 1 0.892 1.944 -0.522 1.00 33.10 C HETATM 2098 C14 MYR A 1 0.892 0.409 -0.512 1.00 14.12 C HETATM 0 H143 MYR A 1 -0.120 0.044 -0.689 1.00 14.12 H new HETATM 0 H142 MYR A 1 1.553 0.040 -1.296 1.00 14.12 H new HETATM 0 H141 MYR A 1 1.242 0.051 0.456 1.00 14.12 H new HETATM 0 H132 MYR A 1 1.899 2.309 -0.318 1.00 33.10 H new HETATM 0 H131 MYR A 1 0.251 2.313 0.279 1.00 33.10 H new HETATM 0 H122 MYR A 1 -0.543 2.039 -2.135 1.00 15.05 H new HETATM 0 H121 MYR A 1 1.119 2.245 -2.650 1.00 15.05 H new HETATM 0 H112 MYR A 1 1.137 4.489 -1.435 1.00 2.31 H new HETATM 0 H111 MYR A 1 -0.577 4.282 -1.137 1.00 2.31 H new HETATM 0 H102 MYR A 1 0.287 4.021 -3.988 1.00 15.34 H new HETATM 0 H101 MYR A 1 0.455 5.618 -3.284 1.00 15.34 H new HETATM 0 H92 MYR A 1 -1.859 5.907 -3.019 1.00 12.01 H new HETATM 0 H91 MYR A 1 -2.179 4.186 -2.929 1.00 12.01 H new HETATM 0 H82 MYR A 1 -2.918 4.461 -5.083 1.00 14.44 H new HETATM 0 H81 MYR A 1 -1.219 4.321 -5.485 1.00 14.44 H new HETATM 0 H72 MYR A 1 -2.306 7.057 -4.792 1.00 30.42 H new HETATM 0 H71 MYR A 1 -2.696 6.382 -6.362 1.00 30.42 H new HETATM 0 H62 MYR A 1 0.089 5.929 -6.057 1.00 24.23 H new HETATM 0 H61 MYR A 1 -0.171 7.539 -5.416 1.00 24.23 H new HETATM 0 H52 MYR A 1 -0.370 8.388 -7.506 1.00 44.44 H new HETATM 0 H51 MYR A 1 -1.697 7.300 -7.861 1.00 44.44 H new HETATM 0 H42 MYR A 1 -0.288 6.425 -9.434 1.00 11.41 H new HETATM 0 H41 MYR A 1 0.429 5.564 -8.087 1.00 11.41 H new HETATM 0 H32 MYR A 1 2.256 7.074 -7.916 1.00 1.15 H new HETATM 0 H31 MYR A 1 1.410 8.353 -8.763 1.00 1.15 H new HETATM 0 H22 MYR A 1 2.081 7.613 -10.813 1.00 52.34 H new HETATM 0 H21 MYR A 1 1.717 5.942 -10.433 1.00 52.34 H new HETATM 2126 P1 PBU A 300 -6.394 -22.639 -14.306 1.00 51.32 P HETATM 2127 P4 PBU A 300 -14.636 -20.818 -16.724 1.00 11.42 P HETATM 2128 P5 PBU A 300 -11.512 -22.143 -19.400 1.00 14.40 P HETATM 2129 C3' PBU A 300 -4.922 -21.949 -16.219 1.00 73.10 C HETATM 2130 C2' PBU A 300 -4.550 -20.502 -15.813 1.00 54.52 C HETATM 2131 O2' PBU A 300 -4.267 -19.762 -16.989 1.00 63.13 O HETATM 2132 C1' PBU A 300 -3.314 -20.460 -14.882 1.00 34.30 C HETATM 2133 O1' PBU A 300 -2.455 -21.535 -15.202 1.00 60.00 O HETATM 2134 C1 PBU A 300 -8.959 -21.729 -15.400 1.00 51.21 C HETATM 2135 O1 PBU A 300 -7.638 -22.510 -15.414 1.00 53.03 O HETATM 2136 C2 PBU A 300 -10.044 -22.261 -14.403 1.00 24.14 C HETATM 2137 O2 PBU A 300 -10.362 -23.635 -14.605 1.00 14.33 O HETATM 2138 C3 PBU A 300 -11.338 -21.423 -14.509 1.00 4.11 C HETATM 2139 O3 PBU A 300 -12.287 -21.963 -13.579 1.00 74.21 O HETATM 2140 C4 PBU A 300 -11.896 -21.414 -15.984 1.00 63.35 C HETATM 2141 O4 PBU A 300 -13.136 -20.541 -16.051 1.00 54.21 O HETATM 2142 C5 PBU A 300 -10.770 -20.866 -16.949 1.00 55.41 C HETATM 2143 O5 PBU A 300 -11.268 -20.916 -18.326 1.00 33.14 O HETATM 2144 C6 PBU A 300 -9.458 -21.683 -16.857 1.00 23.14 C HETATM 2145 O6 PBU A 300 -8.403 -21.112 -17.645 1.00 71.44 O HETATM 2146 C7 PBU A 300 -5.359 -19.162 -17.663 1.00 21.41 C HETATM 2147 O7 PBU A 300 -5.709 -19.569 -18.749 1.00 5.11 O HETATM 2148 C8 PBU A 300 -6.117 -17.998 -17.002 1.00 42.23 C HETATM 2149 C9 PBU A 300 -6.477 -16.932 -18.054 1.00 53.04 C HETATM 2150 C10 PBU A 300 -7.339 -15.837 -17.400 1.00 74.12 C HETATM 2151 C11 PBU A 300 -1.797 -22.287 -14.208 1.00 13.13 C HETATM 2152 O11 PBU A 300 -1.887 -22.078 -13.013 1.00 2.51 O HETATM 2153 C12 PBU A 300 -0.863 -23.413 -14.732 1.00 44.54 C HETATM 2154 C13 PBU A 300 -1.599 -24.729 -15.031 1.00 22.31 C HETATM 2155 C14 PBU A 300 -0.791 -25.942 -14.535 1.00 40.13 C HETATM 2156 O41 PBU A 300 -15.503 -20.323 -15.569 1.00 24.14 O HETATM 2157 O42 PBU A 300 -14.689 -19.958 -17.958 1.00 25.51 O HETATM 2158 O43 PBU A 300 -14.783 -22.290 -17.071 1.00 43.13 O HETATM 2159 O51 PBU A 300 -12.883 -21.771 -19.930 1.00 31.32 O HETATM 2160 O52 PBU A 300 -10.333 -22.017 -20.351 1.00 11.04 O HETATM 2161 O53 PBU A 300 -11.497 -23.375 -18.526 1.00 62.53 O HETATM 2162 OP1 PBU A 300 -5.120 -22.771 -15.088 1.00 13.24 O HETATM 2163 OP2 PBU A 300 -6.501 -21.332 -13.517 1.00 12.25 O HETATM 2164 OP3 PBU A 300 -6.692 -23.917 -13.567 1.00 2.35 O HETATM 0 H3'2 PBU A 300 -5.829 -21.936 -16.824 1.00 73.10 H new HETATM 0 H3'1 PBU A 300 -4.131 -22.368 -16.840 1.00 73.10 H new HETATM 0 H143 PBU A 300 0.177 -25.963 -15.035 1.00 40.13 H new HETATM 0 H142 PBU A 300 -0.641 -25.864 -13.458 1.00 40.13 H new HETATM 0 H141 PBU A 300 -1.336 -26.859 -14.760 1.00 40.13 H new HETATM 0 H132 PBU A 300 -2.577 -24.719 -14.551 1.00 22.31 H new HETATM 0 H131 PBU A 300 -1.771 -24.817 -16.104 1.00 22.31 H new HETATM 0 H122 PBU A 300 -0.366 -23.069 -15.639 1.00 44.54 H new HETATM 0 H121 PBU A 300 -0.084 -23.601 -13.993 1.00 44.54 H new HETATM 0 H1'2 PBU A 300 -2.789 -19.512 -14.998 1.00 34.30 H new HETATM 0 H1'1 PBU A 300 -3.626 -20.526 -13.840 1.00 34.30 H new HETATM 0 H92 PBU A 300 -5.569 -16.495 -18.470 1.00 53.04 H new HETATM 0 H91 PBU A 300 -7.019 -17.390 -18.881 1.00 53.04 H new HETATM 0 H82 PBU A 300 -7.024 -18.369 -16.525 1.00 42.23 H new HETATM 0 H81 PBU A 300 -5.504 -17.553 -16.218 1.00 42.23 H new HETATM 0 H6 PBU A 300 -9.693 -22.679 -17.232 1.00 23.14 H new HETATM 0 H5 PBU A 300 -10.540 -19.845 -16.645 1.00 55.41 H new HETATM 0 H4 PBU A 300 -12.170 -22.423 -16.293 1.00 63.35 H new HETATM 0 H3 PBU A 300 -11.135 -20.381 -14.260 1.00 4.11 H new HETATM 0 H2' PBU A 300 -5.392 -20.074 -15.269 1.00 54.52 H new HETATM 0 H2 PBU A 300 -9.611 -22.164 -13.407 1.00 24.14 H new HETATM 0 H13 PBU A 300 -8.253 -16.281 -17.005 1.00 74.12 H new HETATM 0 H12 PBU A 300 -6.781 -15.372 -16.587 1.00 74.12 H new HETATM 0 H11 PBU A 300 -7.594 -15.082 -18.144 1.00 74.12 H new HETATM 0 H1 PBU A 300 -8.769 -20.729 -15.011 1.00 51.21 H new HETATM 0 H06 PBU A 300 -8.683 -21.067 -18.583 1.00 71.44 H new HETATM 0 H03 PBU A 300 -13.119 -21.448 -13.625 1.00 74.21 H new HETATM 0 H02 PBU A 300 -11.265 -23.814 -14.270 1.00 14.33 H new