USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 963 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 CYS SG : rot 180:sc= -0.914 USER MOD Set 1.2: A 51 GLN : amide:sc= -0.425 X(o=-5,f=-4.9) USER MOD Set 1.3: A 53 CYS SG : rot -29:sc= -3.61! USER MOD Set 2.1: A 21 THR OG1 : rot 97:sc= 0.988 USER MOD Set 2.2: A 47 LYS NZ :NH3+ -147:sc= 1.15 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.909 (180deg=0.258) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= -0.374 (180deg=-0.827) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -87:sc= 0.074 USER MOD Single : A 23 TYR OH : rot 120:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= 0.541 (180deg=0.303) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.055 (180deg=-0.191) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0.598 (180deg=0.545) USER MOD Single : A 50 LYS NZ :NH3+ 128:sc= 0.694 (180deg=-0.304) USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0352) USER MOD Single : A 57 LYS NZ :NH3+ -124:sc= 0.601 (180deg=-0.206) USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= 0.776 (180deg=0.402) USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= -0.782 (180deg=-1.55!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.665 K(o=0.66,f=-0.033) USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 0.532 (180deg=0.474) USER MOD Single : A 86 ASN : amide:sc= 0.156 X(o=0.16,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0417 X(o=-0.042,f=-0.028) USER MOD Single : A 93 SER OG : rot 100:sc= -2.95! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 96 THR OG1 : rot -0:sc= -0.724 USER MOD Single : A 97 THR OG1 : rot 89:sc= 0.0829 USER MOD Single : A 101 THR OG1 : rot 77:sc= 0.441 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 113 HIS : no HE2:sc= -0.201 K(o=-0.2,f=-1.8) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.252 -23.210 6.496 1.00 12.23 N ATOM 2 CA MET A 1 4.384 -22.097 6.032 1.00 63.00 C ATOM 3 C MET A 1 4.825 -21.615 4.631 1.00 74.33 C ATOM 4 O MET A 1 4.561 -20.465 4.248 1.00 23.01 O ATOM 5 CB MET A 1 4.412 -20.928 7.066 1.00 73.01 C ATOM 6 CG MET A 1 3.868 -21.286 8.464 1.00 44.11 C ATOM 7 SD MET A 1 4.824 -22.597 9.274 1.00 2.12 S ATOM 8 CE MET A 1 4.034 -22.700 10.886 1.00 25.54 C ATOM 0 H1 MET A 1 5.221 -23.265 7.534 1.00 12.23 H new ATOM 0 H2 MET A 1 4.913 -24.106 6.092 1.00 12.23 H new ATOM 0 H3 MET A 1 6.230 -23.039 6.188 1.00 12.23 H new ATOM 0 HA MET A 1 3.358 -22.457 5.953 1.00 63.00 H new ATOM 0 HB2 MET A 1 5.439 -20.579 7.170 1.00 73.01 H new ATOM 0 HB3 MET A 1 3.831 -20.096 6.668 1.00 73.01 H new ATOM 0 HG2 MET A 1 3.877 -20.395 9.092 1.00 44.11 H new ATOM 0 HG3 MET A 1 2.829 -21.602 8.375 1.00 44.11 H new ATOM 0 HE1 MET A 1 4.525 -23.468 11.484 1.00 25.54 H new ATOM 0 HE2 MET A 1 4.115 -21.739 11.393 1.00 25.54 H new ATOM 0 HE3 MET A 1 2.982 -22.956 10.760 1.00 25.54 H new ATOM 20 N ALA A 2 5.479 -22.521 3.862 1.00 10.32 N ATOM 21 CA ALA A 2 5.952 -22.235 2.495 1.00 22.22 C ATOM 22 C ALA A 2 4.759 -22.203 1.518 1.00 30.13 C ATOM 23 O ALA A 2 4.405 -23.228 0.914 1.00 71.40 O ATOM 24 CB ALA A 2 7.015 -23.270 2.056 1.00 73.32 C ATOM 0 H ALA A 2 5.690 -23.468 4.177 1.00 10.32 H new ATOM 0 HA ALA A 2 6.427 -21.254 2.483 1.00 22.22 H new ATOM 0 HB1 ALA A 2 7.350 -23.040 1.045 1.00 73.32 H new ATOM 0 HB2 ALA A 2 7.865 -23.231 2.738 1.00 73.32 H new ATOM 0 HB3 ALA A 2 6.580 -24.269 2.076 1.00 73.32 H new ATOM 30 N GLY A 3 4.109 -21.027 1.428 1.00 4.23 N ATOM 31 CA GLY A 3 2.946 -20.831 0.563 1.00 4.34 C ATOM 32 C GLY A 3 3.340 -20.754 -0.897 1.00 4.30 C ATOM 33 O GLY A 3 3.374 -21.779 -1.589 1.00 23.21 O ATOM 0 H GLY A 3 4.379 -20.195 1.952 1.00 4.23 H new ATOM 0 HA2 GLY A 3 2.243 -21.651 0.707 1.00 4.34 H new ATOM 0 HA3 GLY A 3 2.430 -19.915 0.849 1.00 4.34 H new ATOM 37 N LYS A 4 3.669 -19.538 -1.343 1.00 3.24 N ATOM 38 CA LYS A 4 4.171 -19.264 -2.701 1.00 52.20 C ATOM 39 C LYS A 4 4.624 -17.791 -2.785 1.00 53.13 C ATOM 40 O LYS A 4 4.376 -17.000 -1.857 1.00 10.44 O ATOM 41 CB LYS A 4 3.085 -19.579 -3.791 1.00 21.43 C ATOM 42 CG LYS A 4 3.633 -19.675 -5.236 1.00 20.21 C ATOM 43 CD LYS A 4 2.535 -19.936 -6.293 1.00 43.00 C ATOM 44 CE LYS A 4 3.105 -20.068 -7.713 1.00 2.25 C ATOM 45 NZ LYS A 4 2.044 -20.410 -8.703 1.00 51.30 N ATOM 0 H LYS A 4 3.594 -18.701 -0.765 1.00 3.24 H new ATOM 0 HA LYS A 4 5.021 -19.917 -2.900 1.00 52.20 H new ATOM 0 HB2 LYS A 4 2.597 -20.520 -3.538 1.00 21.43 H new ATOM 0 HB3 LYS A 4 2.319 -18.804 -3.757 1.00 21.43 H new ATOM 0 HG2 LYS A 4 4.151 -18.748 -5.482 1.00 20.21 H new ATOM 0 HG3 LYS A 4 4.371 -20.476 -5.284 1.00 20.21 H new ATOM 0 HD2 LYS A 4 1.996 -20.848 -6.035 1.00 43.00 H new ATOM 0 HD3 LYS A 4 1.812 -19.121 -6.270 1.00 43.00 H new ATOM 0 HE2 LYS A 4 3.584 -19.132 -8.001 1.00 2.25 H new ATOM 0 HE3 LYS A 4 3.876 -20.838 -7.725 1.00 2.25 H new ATOM 0 HZ1 LYS A 4 2.466 -20.491 -9.650 1.00 51.30 H new ATOM 0 HZ2 LYS A 4 1.604 -21.315 -8.442 1.00 51.30 H new ATOM 0 HZ3 LYS A 4 1.321 -19.663 -8.709 1.00 51.30 H new ATOM 59 N GLU A 5 5.304 -17.434 -3.888 1.00 53.04 N ATOM 60 CA GLU A 5 5.694 -16.053 -4.169 1.00 12.33 C ATOM 61 C GLU A 5 4.486 -15.230 -4.674 1.00 74.23 C ATOM 62 O GLU A 5 4.234 -15.146 -5.887 1.00 63.23 O ATOM 63 CB GLU A 5 6.865 -16.006 -5.194 1.00 53.45 C ATOM 64 CG GLU A 5 8.154 -16.707 -4.725 1.00 63.12 C ATOM 65 CD GLU A 5 9.367 -16.411 -5.628 1.00 41.20 C ATOM 66 OE1 GLU A 5 9.553 -17.108 -6.654 1.00 34.45 O ATOM 67 OE2 GLU A 5 10.139 -15.475 -5.313 1.00 10.24 O ATOM 0 H GLU A 5 5.596 -18.098 -4.605 1.00 53.04 H new ATOM 0 HA GLU A 5 6.041 -15.604 -3.238 1.00 12.33 H new ATOM 0 HB2 GLU A 5 6.535 -16.466 -6.125 1.00 53.45 H new ATOM 0 HB3 GLU A 5 7.094 -14.964 -5.417 1.00 53.45 H new ATOM 0 HG2 GLU A 5 8.382 -16.392 -3.707 1.00 63.12 H new ATOM 0 HG3 GLU A 5 7.985 -17.783 -4.696 1.00 63.12 H new ATOM 74 N LEU A 6 3.710 -14.674 -3.722 1.00 2.52 N ATOM 75 CA LEU A 6 2.666 -13.680 -4.019 1.00 23.24 C ATOM 76 C LEU A 6 3.368 -12.329 -4.259 1.00 12.34 C ATOM 77 O LEU A 6 3.764 -11.643 -3.302 1.00 70.52 O ATOM 78 CB LEU A 6 1.618 -13.588 -2.861 1.00 63.04 C ATOM 79 CG LEU A 6 0.561 -14.752 -2.759 1.00 20.51 C ATOM 80 CD1 LEU A 6 1.197 -16.112 -2.399 1.00 45.34 C ATOM 81 CD2 LEU A 6 -0.568 -14.381 -1.768 1.00 72.34 C ATOM 0 H LEU A 6 3.791 -14.902 -2.731 1.00 2.52 H new ATOM 0 HA LEU A 6 2.107 -13.974 -4.907 1.00 23.24 H new ATOM 0 HB2 LEU A 6 2.160 -13.539 -1.917 1.00 63.04 H new ATOM 0 HB3 LEU A 6 1.077 -12.648 -2.967 1.00 63.04 H new ATOM 0 HG LEU A 6 0.127 -14.872 -3.752 1.00 20.51 H new ATOM 0 HD11 LEU A 6 0.419 -16.874 -2.343 1.00 45.34 H new ATOM 0 HD12 LEU A 6 1.922 -16.389 -3.165 1.00 45.34 H new ATOM 0 HD13 LEU A 6 1.699 -16.035 -1.435 1.00 45.34 H new ATOM 0 HD21 LEU A 6 -1.287 -15.198 -1.713 1.00 72.34 H new ATOM 0 HD22 LEU A 6 -0.142 -14.205 -0.780 1.00 72.34 H new ATOM 0 HD23 LEU A 6 -1.072 -13.478 -2.112 1.00 72.34 H new ATOM 93 N ARG A 7 3.557 -11.985 -5.546 1.00 51.40 N ATOM 94 CA ARG A 7 4.343 -10.815 -5.964 1.00 44.33 C ATOM 95 C ARG A 7 3.511 -9.528 -5.893 1.00 33.22 C ATOM 96 O ARG A 7 2.479 -9.414 -6.553 1.00 64.54 O ATOM 97 CB ARG A 7 4.935 -11.029 -7.397 1.00 55.20 C ATOM 98 CG ARG A 7 6.070 -12.078 -7.449 1.00 61.04 C ATOM 99 CD ARG A 7 6.846 -12.110 -8.781 1.00 55.32 C ATOM 100 NE ARG A 7 8.095 -12.904 -8.654 1.00 70.40 N ATOM 101 CZ ARG A 7 8.667 -13.648 -9.621 1.00 74.50 C ATOM 102 NH1 ARG A 7 8.139 -13.725 -10.844 1.00 42.24 N ATOM 103 NH2 ARG A 7 9.785 -14.308 -9.354 1.00 14.15 N ATOM 0 H ARG A 7 3.167 -12.514 -6.326 1.00 51.40 H new ATOM 0 HA ARG A 7 5.174 -10.704 -5.268 1.00 44.33 H new ATOM 0 HB2 ARG A 7 4.135 -11.339 -8.069 1.00 55.20 H new ATOM 0 HB3 ARG A 7 5.314 -10.078 -7.770 1.00 55.20 H new ATOM 0 HG2 ARG A 7 6.771 -11.878 -6.639 1.00 61.04 H new ATOM 0 HG3 ARG A 7 5.645 -13.065 -7.266 1.00 61.04 H new ATOM 0 HD2 ARG A 7 6.217 -12.538 -9.561 1.00 55.32 H new ATOM 0 HD3 ARG A 7 7.088 -11.093 -9.089 1.00 55.32 H new ATOM 0 HE ARG A 7 8.564 -12.884 -7.749 1.00 70.40 H new ATOM 0 HH11 ARG A 7 7.284 -13.214 -11.063 1.00 42.24 H new ATOM 0 HH12 ARG A 7 8.590 -14.295 -11.559 1.00 42.24 H new ATOM 0 HH21 ARG A 7 10.202 -14.249 -8.425 1.00 14.15 H new ATOM 0 HH22 ARG A 7 10.228 -14.875 -10.077 1.00 14.15 H new ATOM 117 N VAL A 8 3.959 -8.572 -5.059 1.00 15.33 N ATOM 118 CA VAL A 8 3.353 -7.230 -4.964 1.00 3.13 C ATOM 119 C VAL A 8 4.216 -6.223 -5.753 1.00 41.30 C ATOM 120 O VAL A 8 5.455 -6.328 -5.766 1.00 52.45 O ATOM 121 CB VAL A 8 3.197 -6.724 -3.466 1.00 25.23 C ATOM 122 CG1 VAL A 8 2.535 -7.789 -2.563 1.00 72.34 C ATOM 123 CG2 VAL A 8 4.533 -6.240 -2.858 1.00 41.02 C ATOM 0 H VAL A 8 4.752 -8.708 -4.431 1.00 15.33 H new ATOM 0 HA VAL A 8 2.351 -7.301 -5.386 1.00 3.13 H new ATOM 0 HB VAL A 8 2.533 -5.861 -3.509 1.00 25.23 H new ATOM 0 HG11 VAL A 8 2.448 -7.402 -1.548 1.00 72.34 H new ATOM 0 HG12 VAL A 8 1.543 -8.026 -2.947 1.00 72.34 H new ATOM 0 HG13 VAL A 8 3.147 -8.691 -2.556 1.00 72.34 H new ATOM 0 HG21 VAL A 8 4.367 -5.906 -1.834 1.00 41.02 H new ATOM 0 HG22 VAL A 8 5.252 -7.059 -2.860 1.00 41.02 H new ATOM 0 HG23 VAL A 8 4.924 -5.413 -3.451 1.00 41.02 H new ATOM 133 N GLU A 9 3.577 -5.284 -6.448 1.00 10.40 N ATOM 134 CA GLU A 9 4.255 -4.097 -6.973 1.00 23.24 C ATOM 135 C GLU A 9 3.612 -2.879 -6.308 1.00 64.20 C ATOM 136 O GLU A 9 2.579 -2.388 -6.778 1.00 34.43 O ATOM 137 CB GLU A 9 4.127 -4.011 -8.521 1.00 43.12 C ATOM 138 CG GLU A 9 4.917 -2.839 -9.143 1.00 2.42 C ATOM 139 CD GLU A 9 4.471 -2.482 -10.563 1.00 2.11 C ATOM 140 OE1 GLU A 9 5.000 -3.057 -11.537 1.00 31.14 O ATOM 141 OE2 GLU A 9 3.584 -1.615 -10.710 1.00 64.22 O ATOM 0 H GLU A 9 2.581 -5.322 -6.663 1.00 10.40 H new ATOM 0 HA GLU A 9 5.321 -4.142 -6.750 1.00 23.24 H new ATOM 0 HB2 GLU A 9 4.476 -4.946 -8.958 1.00 43.12 H new ATOM 0 HB3 GLU A 9 3.074 -3.909 -8.785 1.00 43.12 H new ATOM 0 HG2 GLU A 9 4.809 -1.961 -8.506 1.00 2.42 H new ATOM 0 HG3 GLU A 9 5.977 -3.094 -9.158 1.00 2.42 H new ATOM 148 N ILE A 10 4.184 -2.399 -5.196 1.00 74.12 N ATOM 149 CA ILE A 10 3.672 -1.189 -4.548 1.00 21.44 C ATOM 150 C ILE A 10 4.520 -0.029 -5.094 1.00 53.45 C ATOM 151 O ILE A 10 5.687 0.086 -4.747 1.00 32.24 O ATOM 152 CB ILE A 10 3.770 -1.265 -2.968 1.00 42.13 C ATOM 153 CG1 ILE A 10 3.300 -2.655 -2.412 1.00 64.55 C ATOM 154 CG2 ILE A 10 2.976 -0.104 -2.323 1.00 45.44 C ATOM 155 CD1 ILE A 10 1.867 -3.040 -2.733 1.00 15.11 C ATOM 0 H ILE A 10 4.988 -2.823 -4.734 1.00 74.12 H new ATOM 0 HA ILE A 10 2.612 -1.058 -4.767 1.00 21.44 H new ATOM 0 HB ILE A 10 4.820 -1.160 -2.697 1.00 42.13 H new ATOM 0 HG12 ILE A 10 3.961 -3.426 -2.807 1.00 64.55 H new ATOM 0 HG13 ILE A 10 3.423 -2.653 -1.329 1.00 64.55 H new ATOM 0 HG21 ILE A 10 3.053 -0.170 -1.238 1.00 45.44 H new ATOM 0 HG22 ILE A 10 3.386 0.848 -2.659 1.00 45.44 H new ATOM 0 HG23 ILE A 10 1.929 -0.172 -2.617 1.00 45.44 H new ATOM 0 HD11 ILE A 10 1.647 -4.017 -2.302 1.00 15.11 H new ATOM 0 HD12 ILE A 10 1.188 -2.297 -2.314 1.00 15.11 H new ATOM 0 HD13 ILE A 10 1.735 -3.083 -3.814 1.00 15.11 H new ATOM 167 N LYS A 11 3.934 0.817 -5.939 1.00 34.22 N ATOM 168 CA LYS A 11 4.660 1.852 -6.702 1.00 51.20 C ATOM 169 C LYS A 11 4.234 3.247 -6.219 1.00 51.24 C ATOM 170 O LYS A 11 3.054 3.567 -6.222 1.00 43.11 O ATOM 171 CB LYS A 11 4.374 1.657 -8.234 1.00 64.42 C ATOM 172 CG LYS A 11 5.302 2.446 -9.209 1.00 14.01 C ATOM 173 CD LYS A 11 4.908 3.934 -9.423 1.00 2.01 C ATOM 174 CE LYS A 11 5.938 4.700 -10.278 1.00 51.31 C ATOM 175 NZ LYS A 11 5.602 6.148 -10.410 1.00 74.33 N ATOM 0 H LYS A 11 2.930 0.810 -6.121 1.00 34.22 H new ATOM 0 HA LYS A 11 5.734 1.758 -6.539 1.00 51.20 H new ATOM 0 HB2 LYS A 11 4.455 0.595 -8.466 1.00 64.42 H new ATOM 0 HB3 LYS A 11 3.342 1.948 -8.431 1.00 64.42 H new ATOM 0 HG2 LYS A 11 6.323 2.406 -8.829 1.00 14.01 H new ATOM 0 HG3 LYS A 11 5.302 1.942 -10.176 1.00 14.01 H new ATOM 0 HD2 LYS A 11 3.932 3.982 -9.906 1.00 2.01 H new ATOM 0 HD3 LYS A 11 4.809 4.423 -8.454 1.00 2.01 H new ATOM 0 HE2 LYS A 11 6.926 4.598 -9.829 1.00 51.31 H new ATOM 0 HE3 LYS A 11 5.990 4.250 -11.269 1.00 51.31 H new ATOM 0 HZ1 LYS A 11 6.474 6.712 -10.363 1.00 74.33 H new ATOM 0 HZ2 LYS A 11 5.132 6.313 -11.323 1.00 74.33 H new ATOM 0 HZ3 LYS A 11 4.966 6.429 -9.637 1.00 74.33 H new ATOM 189 N ILE A 12 5.203 4.084 -5.806 1.00 33.04 N ATOM 190 CA ILE A 12 4.943 5.481 -5.417 1.00 62.24 C ATOM 191 C ILE A 12 5.225 6.394 -6.611 1.00 21.44 C ATOM 192 O ILE A 12 6.240 6.226 -7.309 1.00 2.43 O ATOM 193 CB ILE A 12 5.821 5.945 -4.191 1.00 62.11 C ATOM 194 CG1 ILE A 12 5.725 4.924 -3.015 1.00 24.03 C ATOM 195 CG2 ILE A 12 5.408 7.366 -3.727 1.00 73.01 C ATOM 196 CD1 ILE A 12 4.321 4.681 -2.511 1.00 63.11 C ATOM 0 H ILE A 12 6.183 3.812 -5.733 1.00 33.04 H new ATOM 0 HA ILE A 12 3.899 5.546 -5.112 1.00 62.24 H new ATOM 0 HB ILE A 12 6.861 5.983 -4.515 1.00 62.11 H new ATOM 0 HG12 ILE A 12 6.151 3.974 -3.339 1.00 24.03 H new ATOM 0 HG13 ILE A 12 6.338 5.283 -2.188 1.00 24.03 H new ATOM 0 HG21 ILE A 12 6.026 7.666 -2.881 1.00 73.01 H new ATOM 0 HG22 ILE A 12 5.547 8.071 -4.546 1.00 73.01 H new ATOM 0 HG23 ILE A 12 4.360 7.361 -3.427 1.00 73.01 H new ATOM 0 HD11 ILE A 12 4.347 3.959 -1.695 1.00 63.11 H new ATOM 0 HD12 ILE A 12 3.896 5.618 -2.153 1.00 63.11 H new ATOM 0 HD13 ILE A 12 3.706 4.290 -3.322 1.00 63.11 H new ATOM 208 N ASP A 13 4.326 7.351 -6.848 1.00 64.40 N ATOM 209 CA ASP A 13 4.462 8.329 -7.920 1.00 14.13 C ATOM 210 C ASP A 13 4.595 9.734 -7.312 1.00 63.23 C ATOM 211 O ASP A 13 3.712 10.189 -6.578 1.00 72.45 O ATOM 212 CB ASP A 13 3.248 8.224 -8.863 1.00 53.45 C ATOM 213 CG ASP A 13 3.367 9.166 -10.060 1.00 24.41 C ATOM 214 OD1 ASP A 13 3.975 8.776 -11.075 1.00 50.13 O ATOM 215 OD2 ASP A 13 2.853 10.299 -9.998 1.00 51.54 O ATOM 0 H ASP A 13 3.477 7.467 -6.295 1.00 64.40 H new ATOM 0 HA ASP A 13 5.359 8.131 -8.506 1.00 14.13 H new ATOM 0 HB2 ASP A 13 3.153 7.198 -9.218 1.00 53.45 H new ATOM 0 HB3 ASP A 13 2.338 8.455 -8.309 1.00 53.45 H new ATOM 220 N CYS A 14 5.715 10.406 -7.599 1.00 72.45 N ATOM 221 CA CYS A 14 6.009 11.745 -7.062 1.00 34.01 C ATOM 222 C CYS A 14 5.902 12.802 -8.169 1.00 43.45 C ATOM 223 O CYS A 14 6.014 12.479 -9.361 1.00 11.14 O ATOM 224 CB CYS A 14 7.412 11.768 -6.427 1.00 12.22 C ATOM 225 SG CYS A 14 7.818 13.319 -5.582 1.00 22.52 S ATOM 0 H CYS A 14 6.445 10.040 -8.210 1.00 72.45 H new ATOM 0 HA CYS A 14 5.275 11.980 -6.291 1.00 34.01 H new ATOM 0 HB2 CYS A 14 7.489 10.947 -5.714 1.00 12.22 H new ATOM 0 HB3 CYS A 14 8.154 11.586 -7.205 1.00 12.22 H new ATOM 0 HG CYS A 14 9.015 13.240 -5.080 1.00 22.52 H new ATOM 231 N GLY A 15 5.678 14.067 -7.756 1.00 5.45 N ATOM 232 CA GLY A 15 5.596 15.196 -8.680 1.00 14.11 C ATOM 233 C GLY A 15 6.969 15.632 -9.170 1.00 62.11 C ATOM 234 O GLY A 15 7.697 16.302 -8.434 1.00 2.42 O ATOM 0 H GLY A 15 5.551 14.324 -6.777 1.00 5.45 H new ATOM 0 HA2 GLY A 15 4.977 14.921 -9.534 1.00 14.11 H new ATOM 0 HA3 GLY A 15 5.104 16.034 -8.186 1.00 14.11 H new ATOM 238 N ASN A 16 7.341 15.183 -10.385 1.00 51.43 N ATOM 239 CA ASN A 16 8.586 15.582 -11.098 1.00 14.40 C ATOM 240 C ASN A 16 9.879 15.052 -10.454 1.00 20.40 C ATOM 241 O ASN A 16 10.973 15.317 -10.970 1.00 40.43 O ATOM 242 CB ASN A 16 8.682 17.124 -11.314 1.00 71.41 C ATOM 243 CG ASN A 16 7.545 17.704 -12.166 1.00 22.01 C ATOM 244 OD1 ASN A 16 6.542 18.203 -11.650 1.00 3.13 O ATOM 245 ND2 ASN A 16 7.699 17.646 -13.480 1.00 51.32 N ATOM 0 H ASN A 16 6.777 14.519 -10.915 1.00 51.43 H new ATOM 0 HA ASN A 16 8.502 15.099 -12.072 1.00 14.40 H new ATOM 0 HB2 ASN A 16 8.683 17.618 -10.342 1.00 71.41 H new ATOM 0 HB3 ASN A 16 9.635 17.356 -11.790 1.00 71.41 H new ATOM 0 HD21 ASN A 16 6.977 18.020 -14.095 1.00 51.32 H new ATOM 0 HD22 ASN A 16 8.540 17.227 -13.877 1.00 51.32 H new ATOM 252 N ASP A 17 9.772 14.297 -9.348 1.00 42.54 N ATOM 253 CA ASP A 17 10.933 13.641 -8.732 1.00 1.10 C ATOM 254 C ASP A 17 11.158 12.317 -9.471 1.00 1.13 C ATOM 255 O ASP A 17 10.609 11.271 -9.092 1.00 1.33 O ATOM 256 CB ASP A 17 10.727 13.443 -7.206 1.00 44.30 C ATOM 257 CG ASP A 17 12.001 12.954 -6.491 1.00 52.52 C ATOM 258 OD1 ASP A 17 13.010 13.689 -6.507 1.00 20.04 O ATOM 259 OD2 ASP A 17 12.002 11.858 -5.880 1.00 64.03 O ATOM 0 H ASP A 17 8.891 14.127 -8.863 1.00 42.54 H new ATOM 0 HA ASP A 17 11.822 14.265 -8.825 1.00 1.10 H new ATOM 0 HB2 ASP A 17 10.405 14.385 -6.762 1.00 44.30 H new ATOM 0 HB3 ASP A 17 9.925 12.723 -7.042 1.00 44.30 H new ATOM 264 N ASP A 18 11.878 12.433 -10.604 1.00 34.55 N ATOM 265 CA ASP A 18 12.053 11.360 -11.602 1.00 1.11 C ATOM 266 C ASP A 18 12.838 10.154 -11.062 1.00 24.42 C ATOM 267 O ASP A 18 14.057 10.038 -11.265 1.00 54.40 O ATOM 268 CB ASP A 18 12.714 11.928 -12.889 1.00 44.24 C ATOM 269 CG ASP A 18 11.854 13.012 -13.558 1.00 13.23 C ATOM 270 OD1 ASP A 18 10.746 12.687 -14.039 1.00 51.30 O ATOM 271 OD2 ASP A 18 12.262 14.194 -13.579 1.00 14.32 O ATOM 0 H ASP A 18 12.364 13.293 -10.856 1.00 34.55 H new ATOM 0 HA ASP A 18 11.059 10.986 -11.845 1.00 1.11 H new ATOM 0 HB2 ASP A 18 13.690 12.344 -12.640 1.00 44.24 H new ATOM 0 HB3 ASP A 18 12.885 11.116 -13.596 1.00 44.24 H new ATOM 276 N LYS A 19 12.113 9.280 -10.355 1.00 33.33 N ATOM 277 CA LYS A 19 12.603 7.993 -9.876 1.00 10.22 C ATOM 278 C LYS A 19 11.398 7.219 -9.349 1.00 73.54 C ATOM 279 O LYS A 19 10.705 7.698 -8.444 1.00 41.42 O ATOM 280 CB LYS A 19 13.689 8.131 -8.757 1.00 50.23 C ATOM 281 CG LYS A 19 14.335 6.785 -8.344 1.00 70.22 C ATOM 282 CD LYS A 19 15.475 6.945 -7.310 1.00 73.43 C ATOM 283 CE LYS A 19 16.164 5.609 -6.995 1.00 73.30 C ATOM 284 NZ LYS A 19 17.284 5.770 -6.030 1.00 61.12 N ATOM 0 H LYS A 19 11.143 9.458 -10.096 1.00 33.33 H new ATOM 0 HA LYS A 19 13.089 7.471 -10.700 1.00 10.22 H new ATOM 0 HB2 LYS A 19 14.470 8.807 -9.103 1.00 50.23 H new ATOM 0 HB3 LYS A 19 13.236 8.591 -7.879 1.00 50.23 H new ATOM 0 HG2 LYS A 19 13.566 6.133 -7.929 1.00 70.22 H new ATOM 0 HG3 LYS A 19 14.727 6.290 -9.233 1.00 70.22 H new ATOM 0 HD2 LYS A 19 16.213 7.651 -7.691 1.00 73.43 H new ATOM 0 HD3 LYS A 19 15.072 7.370 -6.391 1.00 73.43 H new ATOM 0 HE2 LYS A 19 15.432 4.912 -6.587 1.00 73.30 H new ATOM 0 HE3 LYS A 19 16.542 5.170 -7.918 1.00 73.30 H new ATOM 0 HZ1 LYS A 19 17.720 4.844 -5.846 1.00 61.12 H new ATOM 0 HZ2 LYS A 19 17.996 6.415 -6.429 1.00 61.12 H new ATOM 0 HZ3 LYS A 19 16.920 6.164 -5.139 1.00 61.12 H new ATOM 298 N GLU A 20 11.121 6.053 -9.942 1.00 30.51 N ATOM 299 CA GLU A 20 10.047 5.167 -9.478 1.00 12.14 C ATOM 300 C GLU A 20 10.483 4.462 -8.179 1.00 73.11 C ATOM 301 O GLU A 20 11.683 4.244 -7.958 1.00 31.21 O ATOM 302 CB GLU A 20 9.630 4.170 -10.609 1.00 62.22 C ATOM 303 CG GLU A 20 10.748 3.281 -11.221 1.00 3.14 C ATOM 304 CD GLU A 20 11.223 2.130 -10.312 1.00 75.30 C ATOM 305 OE1 GLU A 20 10.366 1.359 -9.812 1.00 22.25 O ATOM 306 OE2 GLU A 20 12.441 2.004 -10.058 1.00 75.04 O ATOM 0 H GLU A 20 11.630 5.698 -10.751 1.00 30.51 H new ATOM 0 HA GLU A 20 9.157 5.751 -9.245 1.00 12.14 H new ATOM 0 HB2 GLU A 20 8.856 3.513 -10.212 1.00 62.22 H new ATOM 0 HB3 GLU A 20 9.176 4.745 -11.416 1.00 62.22 H new ATOM 0 HG2 GLU A 20 10.386 2.860 -12.159 1.00 3.14 H new ATOM 0 HG3 GLU A 20 11.603 3.912 -11.463 1.00 3.14 H new ATOM 313 N THR A 21 9.527 4.151 -7.301 1.00 71.34 N ATOM 314 CA THR A 21 9.801 3.429 -6.053 1.00 34.23 C ATOM 315 C THR A 21 8.803 2.280 -5.910 1.00 43.42 C ATOM 316 O THR A 21 7.637 2.501 -5.594 1.00 63.22 O ATOM 317 CB THR A 21 9.724 4.402 -4.828 1.00 1.31 C ATOM 318 OG1 THR A 21 10.688 5.458 -5.005 1.00 14.44 O ATOM 319 CG2 THR A 21 9.984 3.685 -3.486 1.00 3.23 C ATOM 0 H THR A 21 8.544 4.391 -7.433 1.00 71.34 H new ATOM 0 HA THR A 21 10.810 3.018 -6.082 1.00 34.23 H new ATOM 0 HB THR A 21 8.712 4.805 -4.787 1.00 1.31 H new ATOM 0 HG1 THR A 21 10.245 6.244 -5.387 1.00 14.44 H new ATOM 0 HG21 THR A 21 9.919 4.405 -2.670 1.00 3.23 H new ATOM 0 HG22 THR A 21 9.238 2.903 -3.341 1.00 3.23 H new ATOM 0 HG23 THR A 21 10.979 3.240 -3.498 1.00 3.23 H new ATOM 327 N THR A 22 9.277 1.054 -6.164 1.00 13.32 N ATOM 328 CA THR A 22 8.487 -0.173 -6.022 1.00 74.14 C ATOM 329 C THR A 22 8.989 -0.967 -4.813 1.00 22.23 C ATOM 330 O THR A 22 10.199 -1.075 -4.598 1.00 71.15 O ATOM 331 CB THR A 22 8.542 -1.043 -7.327 1.00 53.40 C ATOM 332 OG1 THR A 22 9.890 -1.134 -7.814 1.00 21.15 O ATOM 333 CG2 THR A 22 7.648 -0.467 -8.427 1.00 45.24 C ATOM 0 H THR A 22 10.233 0.885 -6.478 1.00 13.32 H new ATOM 0 HA THR A 22 7.444 0.100 -5.862 1.00 74.14 H new ATOM 0 HB THR A 22 8.176 -2.037 -7.068 1.00 53.40 H new ATOM 0 HG1 THR A 22 10.078 -0.372 -8.402 1.00 21.15 H new ATOM 0 HG21 THR A 22 7.712 -1.096 -9.315 1.00 45.24 H new ATOM 0 HG22 THR A 22 6.616 -0.436 -8.078 1.00 45.24 H new ATOM 0 HG23 THR A 22 7.978 0.542 -8.673 1.00 45.24 H new ATOM 341 N TYR A 23 8.054 -1.515 -4.015 1.00 44.05 N ATOM 342 CA TYR A 23 8.386 -2.294 -2.811 1.00 22.53 C ATOM 343 C TYR A 23 8.183 -3.777 -3.122 1.00 71.44 C ATOM 344 O TYR A 23 7.100 -4.185 -3.562 1.00 50.41 O ATOM 345 CB TYR A 23 7.483 -1.869 -1.613 1.00 3.02 C ATOM 346 CG TYR A 23 7.579 -0.376 -1.250 1.00 74.41 C ATOM 347 CD1 TYR A 23 8.526 0.095 -0.344 1.00 11.44 C ATOM 348 CD2 TYR A 23 6.729 0.560 -1.833 1.00 42.44 C ATOM 349 CE1 TYR A 23 8.612 1.438 -0.041 1.00 13.42 C ATOM 350 CE2 TYR A 23 6.814 1.892 -1.535 1.00 62.24 C ATOM 351 CZ TYR A 23 7.753 2.332 -0.643 1.00 71.11 C ATOM 352 OH TYR A 23 7.836 3.673 -0.352 1.00 15.14 O ATOM 0 H TYR A 23 7.052 -1.430 -4.187 1.00 44.05 H new ATOM 0 HA TYR A 23 9.423 -2.108 -2.531 1.00 22.53 H new ATOM 0 HB2 TYR A 23 6.446 -2.108 -1.851 1.00 3.02 H new ATOM 0 HB3 TYR A 23 7.754 -2.462 -0.740 1.00 3.02 H new ATOM 0 HD1 TYR A 23 9.203 -0.601 0.128 1.00 11.44 H new ATOM 0 HD2 TYR A 23 5.983 0.225 -2.539 1.00 42.44 H new ATOM 0 HE1 TYR A 23 9.350 1.788 0.666 1.00 13.42 H new ATOM 0 HE2 TYR A 23 6.141 2.595 -2.003 1.00 62.24 H new ATOM 0 HH TYR A 23 8.029 4.174 -1.172 1.00 15.14 H new ATOM 362 N ASP A 24 9.238 -4.564 -2.897 1.00 42.02 N ATOM 363 CA ASP A 24 9.243 -6.013 -3.110 1.00 13.33 C ATOM 364 C ASP A 24 9.019 -6.700 -1.767 1.00 11.32 C ATOM 365 O ASP A 24 9.852 -6.579 -0.863 1.00 23.11 O ATOM 366 CB ASP A 24 10.600 -6.454 -3.720 1.00 70.43 C ATOM 367 CG ASP A 24 10.724 -7.981 -3.922 1.00 33.35 C ATOM 368 OD1 ASP A 24 10.238 -8.495 -4.950 1.00 40.42 O ATOM 369 OD2 ASP A 24 11.320 -8.667 -3.058 1.00 53.04 O ATOM 0 H ASP A 24 10.129 -4.205 -2.555 1.00 42.02 H new ATOM 0 HA ASP A 24 8.450 -6.292 -3.803 1.00 13.33 H new ATOM 0 HB2 ASP A 24 10.735 -5.957 -4.681 1.00 70.43 H new ATOM 0 HB3 ASP A 24 11.407 -6.116 -3.070 1.00 70.43 H new ATOM 374 N LEU A 25 7.878 -7.379 -1.631 1.00 2.33 N ATOM 375 CA LEU A 25 7.560 -8.179 -0.447 1.00 52.33 C ATOM 376 C LEU A 25 6.638 -9.324 -0.834 1.00 73.12 C ATOM 377 O LEU A 25 6.003 -9.319 -1.902 1.00 74.02 O ATOM 378 CB LEU A 25 6.957 -7.304 0.691 1.00 43.13 C ATOM 379 CG LEU A 25 5.517 -6.696 0.472 1.00 73.32 C ATOM 380 CD1 LEU A 25 4.388 -7.574 1.073 1.00 35.23 C ATOM 381 CD2 LEU A 25 5.421 -5.253 0.998 1.00 13.32 C ATOM 0 H LEU A 25 7.146 -7.389 -2.342 1.00 2.33 H new ATOM 0 HA LEU A 25 8.484 -8.602 -0.052 1.00 52.33 H new ATOM 0 HB2 LEU A 25 6.931 -7.907 1.598 1.00 43.13 H new ATOM 0 HB3 LEU A 25 7.644 -6.478 0.877 1.00 43.13 H new ATOM 0 HG LEU A 25 5.365 -6.679 -0.607 1.00 73.32 H new ATOM 0 HD11 LEU A 25 3.423 -7.102 0.889 1.00 35.23 H new ATOM 0 HD12 LEU A 25 4.405 -8.559 0.606 1.00 35.23 H new ATOM 0 HD13 LEU A 25 4.542 -7.679 2.147 1.00 35.23 H new ATOM 0 HD21 LEU A 25 4.415 -4.870 0.829 1.00 13.32 H new ATOM 0 HD22 LEU A 25 5.639 -5.240 2.066 1.00 13.32 H new ATOM 0 HD23 LEU A 25 6.141 -4.626 0.473 1.00 13.32 H new ATOM 393 N TYR A 26 6.577 -10.300 0.064 1.00 1.44 N ATOM 394 CA TYR A 26 5.905 -11.569 -0.147 1.00 74.44 C ATOM 395 C TYR A 26 5.112 -11.940 1.101 1.00 71.23 C ATOM 396 O TYR A 26 5.676 -12.054 2.200 1.00 24.42 O ATOM 397 CB TYR A 26 6.955 -12.662 -0.485 1.00 53.55 C ATOM 398 CG TYR A 26 7.595 -12.461 -1.861 1.00 53.41 C ATOM 399 CD1 TYR A 26 6.914 -12.830 -3.008 1.00 34.35 C ATOM 400 CD2 TYR A 26 8.844 -11.845 -2.015 1.00 45.13 C ATOM 401 CE1 TYR A 26 7.443 -12.609 -4.253 1.00 62.40 C ATOM 402 CE2 TYR A 26 9.383 -11.631 -3.272 1.00 73.44 C ATOM 403 CZ TYR A 26 8.671 -12.010 -4.387 1.00 33.53 C ATOM 404 OH TYR A 26 9.167 -11.763 -5.649 1.00 21.33 O ATOM 0 H TYR A 26 7.008 -10.224 0.985 1.00 1.44 H new ATOM 0 HA TYR A 26 5.211 -11.487 -0.984 1.00 74.44 H new ATOM 0 HB2 TYR A 26 7.734 -12.660 0.277 1.00 53.55 H new ATOM 0 HB3 TYR A 26 6.478 -13.641 -0.450 1.00 53.55 H new ATOM 0 HD1 TYR A 26 5.946 -13.302 -2.920 1.00 34.35 H new ATOM 0 HD2 TYR A 26 9.394 -11.532 -1.140 1.00 45.13 H new ATOM 0 HE1 TYR A 26 6.891 -12.907 -5.132 1.00 62.40 H new ATOM 0 HE2 TYR A 26 10.354 -11.170 -3.377 1.00 73.44 H new ATOM 0 HH TYR A 26 10.045 -11.334 -5.577 1.00 21.33 H new ATOM 414 N PHE A 27 3.797 -12.087 0.915 1.00 35.33 N ATOM 415 CA PHE A 27 2.899 -12.640 1.923 1.00 2.31 C ATOM 416 C PHE A 27 3.226 -14.137 2.103 1.00 23.23 C ATOM 417 O PHE A 27 2.797 -14.971 1.308 1.00 40.43 O ATOM 418 CB PHE A 27 1.415 -12.397 1.496 1.00 41.23 C ATOM 419 CG PHE A 27 0.352 -13.090 2.367 1.00 75.01 C ATOM 420 CD1 PHE A 27 -0.051 -12.537 3.579 1.00 51.40 C ATOM 421 CD2 PHE A 27 -0.236 -14.298 1.976 1.00 72.34 C ATOM 422 CE1 PHE A 27 -0.998 -13.161 4.368 1.00 3.01 C ATOM 423 CE2 PHE A 27 -1.180 -14.922 2.768 1.00 71.25 C ATOM 424 CZ PHE A 27 -1.560 -14.353 3.963 1.00 32.24 C ATOM 0 H PHE A 27 3.325 -11.822 0.051 1.00 35.33 H new ATOM 0 HA PHE A 27 3.037 -12.146 2.885 1.00 2.31 H new ATOM 0 HB2 PHE A 27 1.224 -11.324 1.505 1.00 41.23 H new ATOM 0 HB3 PHE A 27 1.292 -12.734 0.467 1.00 41.23 H new ATOM 0 HD1 PHE A 27 0.384 -11.605 3.908 1.00 51.40 H new ATOM 0 HD2 PHE A 27 0.053 -14.750 1.039 1.00 72.34 H new ATOM 0 HE1 PHE A 27 -1.299 -12.714 5.304 1.00 3.01 H new ATOM 0 HE2 PHE A 27 -1.620 -15.856 2.450 1.00 71.25 H new ATOM 0 HZ PHE A 27 -2.298 -14.840 4.583 1.00 32.24 H new ATOM 434 N SER A 28 4.098 -14.427 3.081 1.00 1.13 N ATOM 435 CA SER A 28 4.404 -15.806 3.523 1.00 4.43 C ATOM 436 C SER A 28 3.369 -16.271 4.565 1.00 41.32 C ATOM 437 O SER A 28 2.992 -17.451 4.616 1.00 2.12 O ATOM 438 CB SER A 28 5.837 -15.855 4.111 1.00 12.01 C ATOM 439 OG SER A 28 6.788 -15.412 3.155 1.00 23.33 O ATOM 0 H SER A 28 4.615 -13.712 3.593 1.00 1.13 H new ATOM 0 HA SER A 28 4.352 -16.481 2.669 1.00 4.43 H new ATOM 0 HB2 SER A 28 5.891 -15.229 5.002 1.00 12.01 H new ATOM 0 HB3 SER A 28 6.073 -16.873 4.421 1.00 12.01 H new ATOM 0 HG SER A 28 7.686 -15.449 3.546 1.00 23.33 H new ATOM 445 N LYS A 29 2.907 -15.298 5.365 1.00 73.12 N ATOM 446 CA LYS A 29 1.952 -15.502 6.462 1.00 70.40 C ATOM 447 C LYS A 29 1.403 -14.119 6.890 1.00 74.21 C ATOM 448 O LYS A 29 2.028 -13.091 6.590 1.00 33.51 O ATOM 449 CB LYS A 29 2.667 -16.235 7.640 1.00 24.33 C ATOM 450 CG LYS A 29 1.748 -16.729 8.779 1.00 73.40 C ATOM 451 CD LYS A 29 2.515 -17.494 9.885 1.00 73.41 C ATOM 452 CE LYS A 29 3.548 -16.620 10.601 1.00 72.22 C ATOM 453 NZ LYS A 29 4.316 -17.395 11.617 1.00 60.34 N ATOM 0 H LYS A 29 3.195 -14.325 5.264 1.00 73.12 H new ATOM 0 HA LYS A 29 1.116 -16.126 6.147 1.00 70.40 H new ATOM 0 HB2 LYS A 29 3.207 -17.092 7.236 1.00 24.33 H new ATOM 0 HB3 LYS A 29 3.411 -15.561 8.065 1.00 24.33 H new ATOM 0 HG2 LYS A 29 1.237 -15.875 9.223 1.00 73.40 H new ATOM 0 HG3 LYS A 29 0.979 -17.379 8.362 1.00 73.40 H new ATOM 0 HD2 LYS A 29 1.803 -17.879 10.615 1.00 73.41 H new ATOM 0 HD3 LYS A 29 3.017 -18.355 9.444 1.00 73.41 H new ATOM 0 HE2 LYS A 29 4.236 -16.197 9.869 1.00 72.22 H new ATOM 0 HE3 LYS A 29 3.044 -15.784 11.086 1.00 72.22 H new ATOM 0 HZ1 LYS A 29 5.006 -16.770 12.081 1.00 60.34 H new ATOM 0 HZ2 LYS A 29 3.662 -17.778 12.329 1.00 60.34 H new ATOM 0 HZ3 LYS A 29 4.817 -18.178 11.151 1.00 60.34 H new ATOM 467 N ALA A 30 0.243 -14.097 7.582 1.00 1.21 N ATOM 468 CA ALA A 30 -0.459 -12.847 7.974 1.00 0.33 C ATOM 469 C ALA A 30 0.368 -11.975 8.939 1.00 51.22 C ATOM 470 O ALA A 30 0.306 -10.741 8.873 1.00 33.25 O ATOM 471 CB ALA A 30 -1.835 -13.183 8.572 1.00 44.52 C ATOM 0 H ALA A 30 -0.236 -14.944 7.887 1.00 1.21 H new ATOM 0 HA ALA A 30 -0.596 -12.253 7.070 1.00 0.33 H new ATOM 0 HB1 ALA A 30 -2.343 -12.262 8.857 1.00 44.52 H new ATOM 0 HB2 ALA A 30 -2.434 -13.714 7.832 1.00 44.52 H new ATOM 0 HB3 ALA A 30 -1.705 -13.813 9.452 1.00 44.52 H new ATOM 477 N GLU A 31 1.148 -12.632 9.819 1.00 32.25 N ATOM 478 CA GLU A 31 2.037 -11.937 10.773 1.00 35.51 C ATOM 479 C GLU A 31 3.210 -11.261 10.044 1.00 45.32 C ATOM 480 O GLU A 31 3.647 -10.177 10.441 1.00 24.14 O ATOM 481 CB GLU A 31 2.559 -12.918 11.856 1.00 42.12 C ATOM 482 CG GLU A 31 1.454 -13.577 12.708 1.00 21.53 C ATOM 483 CD GLU A 31 0.549 -12.547 13.410 1.00 70.02 C ATOM 484 OE1 GLU A 31 0.952 -12.006 14.463 1.00 44.15 O ATOM 485 OE2 GLU A 31 -0.552 -12.245 12.896 1.00 0.14 O ATOM 0 H GLU A 31 1.181 -13.649 9.890 1.00 32.25 H new ATOM 0 HA GLU A 31 1.454 -11.160 11.267 1.00 35.51 H new ATOM 0 HB2 GLU A 31 3.140 -13.701 11.369 1.00 42.12 H new ATOM 0 HB3 GLU A 31 3.239 -12.381 12.518 1.00 42.12 H new ATOM 0 HG2 GLU A 31 0.843 -14.217 12.071 1.00 21.53 H new ATOM 0 HG3 GLU A 31 1.914 -14.220 13.458 1.00 21.53 H new ATOM 492 N GLU A 32 3.698 -11.906 8.966 1.00 21.04 N ATOM 493 CA GLU A 32 4.796 -11.361 8.146 1.00 22.24 C ATOM 494 C GLU A 32 4.298 -10.095 7.433 1.00 0.33 C ATOM 495 O GLU A 32 4.897 -9.028 7.564 1.00 51.40 O ATOM 496 CB GLU A 32 5.307 -12.414 7.112 1.00 34.34 C ATOM 497 CG GLU A 32 5.551 -13.830 7.689 1.00 32.31 C ATOM 498 CD GLU A 32 6.359 -13.862 9.009 1.00 22.21 C ATOM 499 OE1 GLU A 32 7.585 -13.624 8.980 1.00 15.11 O ATOM 500 OE2 GLU A 32 5.770 -14.143 10.079 1.00 50.03 O ATOM 0 H GLU A 32 3.347 -12.808 8.643 1.00 21.04 H new ATOM 0 HA GLU A 32 5.637 -11.112 8.793 1.00 22.24 H new ATOM 0 HB2 GLU A 32 4.581 -12.488 6.302 1.00 34.34 H new ATOM 0 HB3 GLU A 32 6.237 -12.051 6.675 1.00 34.34 H new ATOM 0 HG2 GLU A 32 4.587 -14.309 7.858 1.00 32.31 H new ATOM 0 HG3 GLU A 32 6.077 -14.426 6.943 1.00 32.31 H new ATOM 507 N ALA A 33 3.128 -10.233 6.764 1.00 41.03 N ATOM 508 CA ALA A 33 2.474 -9.144 6.012 1.00 12.15 C ATOM 509 C ALA A 33 2.226 -7.912 6.904 1.00 35.33 C ATOM 510 O ALA A 33 2.372 -6.788 6.453 1.00 22.31 O ATOM 511 CB ALA A 33 1.148 -9.637 5.409 1.00 51.25 C ATOM 0 H ALA A 33 2.611 -11.112 6.733 1.00 41.03 H new ATOM 0 HA ALA A 33 3.145 -8.845 5.207 1.00 12.15 H new ATOM 0 HB1 ALA A 33 0.675 -8.825 4.857 1.00 51.25 H new ATOM 0 HB2 ALA A 33 1.343 -10.470 4.733 1.00 51.25 H new ATOM 0 HB3 ALA A 33 0.485 -9.966 6.209 1.00 51.25 H new ATOM 517 N LYS A 34 1.892 -8.168 8.183 1.00 31.42 N ATOM 518 CA LYS A 34 1.613 -7.126 9.196 1.00 45.33 C ATOM 519 C LYS A 34 2.837 -6.201 9.419 1.00 22.53 C ATOM 520 O LYS A 34 2.687 -4.991 9.586 1.00 53.52 O ATOM 521 CB LYS A 34 1.206 -7.823 10.524 1.00 74.14 C ATOM 522 CG LYS A 34 0.853 -6.880 11.701 1.00 15.11 C ATOM 523 CD LYS A 34 0.667 -7.650 13.034 1.00 13.11 C ATOM 524 CE LYS A 34 -0.454 -8.703 12.976 1.00 4.21 C ATOM 525 NZ LYS A 34 -0.539 -9.498 14.238 1.00 71.42 N ATOM 0 H LYS A 34 1.807 -9.116 8.549 1.00 31.42 H new ATOM 0 HA LYS A 34 0.799 -6.494 8.839 1.00 45.33 H new ATOM 0 HB2 LYS A 34 0.347 -8.464 10.327 1.00 74.14 H new ATOM 0 HB3 LYS A 34 2.024 -8.473 10.837 1.00 74.14 H new ATOM 0 HG2 LYS A 34 1.643 -6.138 11.819 1.00 15.11 H new ATOM 0 HG3 LYS A 34 -0.062 -6.336 11.467 1.00 15.11 H new ATOM 0 HD2 LYS A 34 1.604 -8.141 13.296 1.00 13.11 H new ATOM 0 HD3 LYS A 34 0.447 -6.938 13.829 1.00 13.11 H new ATOM 0 HE2 LYS A 34 -1.408 -8.208 12.794 1.00 4.21 H new ATOM 0 HE3 LYS A 34 -0.278 -9.374 12.135 1.00 4.21 H new ATOM 0 HZ1 LYS A 34 -1.437 -10.023 14.258 1.00 71.42 H new ATOM 0 HZ2 LYS A 34 0.255 -10.169 14.280 1.00 71.42 H new ATOM 0 HZ3 LYS A 34 -0.494 -8.857 15.056 1.00 71.42 H new ATOM 539 N GLU A 35 4.042 -6.799 9.408 1.00 64.22 N ATOM 540 CA GLU A 35 5.313 -6.064 9.581 1.00 54.35 C ATOM 541 C GLU A 35 5.655 -5.271 8.299 1.00 24.23 C ATOM 542 O GLU A 35 6.104 -4.119 8.363 1.00 63.42 O ATOM 543 CB GLU A 35 6.449 -7.060 9.930 1.00 25.41 C ATOM 544 CG GLU A 35 7.809 -6.392 10.229 1.00 22.21 C ATOM 545 CD GLU A 35 8.941 -7.402 10.482 1.00 54.21 C ATOM 546 OE1 GLU A 35 9.062 -7.904 11.620 1.00 3.21 O ATOM 547 OE2 GLU A 35 9.715 -7.695 9.543 1.00 43.22 O ATOM 0 H GLU A 35 4.165 -7.803 9.279 1.00 64.22 H new ATOM 0 HA GLU A 35 5.206 -5.353 10.400 1.00 54.35 H new ATOM 0 HB2 GLU A 35 6.148 -7.648 10.797 1.00 25.41 H new ATOM 0 HB3 GLU A 35 6.574 -7.756 9.101 1.00 25.41 H new ATOM 0 HG2 GLU A 35 8.083 -5.752 9.391 1.00 22.21 H new ATOM 0 HG3 GLU A 35 7.705 -5.747 11.102 1.00 22.21 H new ATOM 554 N LEU A 36 5.425 -5.920 7.138 1.00 23.35 N ATOM 555 CA LEU A 36 5.614 -5.307 5.806 1.00 74.31 C ATOM 556 C LEU A 36 4.650 -4.117 5.587 1.00 4.42 C ATOM 557 O LEU A 36 4.986 -3.167 4.882 1.00 62.13 O ATOM 558 CB LEU A 36 5.444 -6.373 4.681 1.00 74.31 C ATOM 559 CG LEU A 36 6.688 -7.278 4.363 1.00 54.22 C ATOM 560 CD1 LEU A 36 7.950 -6.426 4.076 1.00 75.14 C ATOM 561 CD2 LEU A 36 6.959 -8.348 5.443 1.00 30.31 C ATOM 0 H LEU A 36 5.102 -6.887 7.098 1.00 23.35 H new ATOM 0 HA LEU A 36 6.631 -4.918 5.761 1.00 74.31 H new ATOM 0 HB2 LEU A 36 4.613 -7.023 4.953 1.00 74.31 H new ATOM 0 HB3 LEU A 36 5.158 -5.856 3.765 1.00 74.31 H new ATOM 0 HG LEU A 36 6.437 -7.827 3.455 1.00 54.22 H new ATOM 0 HD11 LEU A 36 8.792 -7.084 3.860 1.00 75.14 H new ATOM 0 HD12 LEU A 36 7.765 -5.780 3.218 1.00 75.14 H new ATOM 0 HD13 LEU A 36 8.182 -5.814 4.948 1.00 75.14 H new ATOM 0 HD21 LEU A 36 7.831 -8.937 5.160 1.00 30.31 H new ATOM 0 HD22 LEU A 36 7.145 -7.860 6.400 1.00 30.31 H new ATOM 0 HD23 LEU A 36 6.092 -9.003 5.532 1.00 30.31 H new ATOM 573 N LEU A 37 3.459 -4.206 6.204 1.00 24.22 N ATOM 574 CA LEU A 37 2.436 -3.134 6.205 1.00 23.41 C ATOM 575 C LEU A 37 3.019 -1.838 6.774 1.00 64.54 C ATOM 576 O LEU A 37 2.815 -0.761 6.216 1.00 51.11 O ATOM 577 CB LEU A 37 1.191 -3.617 7.028 1.00 14.52 C ATOM 578 CG LEU A 37 0.033 -2.582 7.346 1.00 61.24 C ATOM 579 CD1 LEU A 37 -1.357 -3.267 7.322 1.00 63.42 C ATOM 580 CD2 LEU A 37 0.254 -1.875 8.717 1.00 1.11 C ATOM 0 H LEU A 37 3.171 -5.035 6.725 1.00 24.22 H new ATOM 0 HA LEU A 37 2.119 -2.923 5.183 1.00 23.41 H new ATOM 0 HB2 LEU A 37 0.746 -4.454 6.491 1.00 14.52 H new ATOM 0 HB3 LEU A 37 1.555 -4.006 7.979 1.00 14.52 H new ATOM 0 HG LEU A 37 0.062 -1.825 6.562 1.00 61.24 H new ATOM 0 HD11 LEU A 37 -2.129 -2.531 7.544 1.00 63.42 H new ATOM 0 HD12 LEU A 37 -1.535 -3.694 6.335 1.00 63.42 H new ATOM 0 HD13 LEU A 37 -1.385 -4.059 8.070 1.00 63.42 H new ATOM 0 HD21 LEU A 37 -0.560 -1.173 8.900 1.00 1.11 H new ATOM 0 HD22 LEU A 37 0.276 -2.621 9.512 1.00 1.11 H new ATOM 0 HD23 LEU A 37 1.201 -1.336 8.700 1.00 1.11 H new ATOM 592 N LYS A 38 3.761 -1.982 7.886 1.00 41.33 N ATOM 593 CA LYS A 38 4.351 -0.850 8.616 1.00 32.12 C ATOM 594 C LYS A 38 5.533 -0.251 7.831 1.00 62.21 C ATOM 595 O LYS A 38 5.690 0.971 7.788 1.00 54.35 O ATOM 596 CB LYS A 38 4.800 -1.308 10.024 1.00 23.00 C ATOM 597 CG LYS A 38 3.688 -2.005 10.848 1.00 15.12 C ATOM 598 CD LYS A 38 4.114 -2.275 12.311 1.00 72.33 C ATOM 599 CE LYS A 38 4.359 -0.978 13.101 1.00 24.13 C ATOM 600 NZ LYS A 38 4.766 -1.238 14.510 1.00 53.20 N ATOM 0 H LYS A 38 3.968 -2.889 8.303 1.00 41.33 H new ATOM 0 HA LYS A 38 3.596 -0.072 8.726 1.00 32.12 H new ATOM 0 HB2 LYS A 38 5.643 -1.991 9.920 1.00 23.00 H new ATOM 0 HB3 LYS A 38 5.159 -0.441 10.579 1.00 23.00 H new ATOM 0 HG2 LYS A 38 2.793 -1.383 10.843 1.00 15.12 H new ATOM 0 HG3 LYS A 38 3.424 -2.948 10.370 1.00 15.12 H new ATOM 0 HD2 LYS A 38 3.341 -2.860 12.809 1.00 72.33 H new ATOM 0 HD3 LYS A 38 5.022 -2.877 12.316 1.00 72.33 H new ATOM 0 HE2 LYS A 38 5.134 -0.394 12.604 1.00 24.13 H new ATOM 0 HE3 LYS A 38 3.451 -0.375 13.094 1.00 24.13 H new ATOM 0 HZ1 LYS A 38 4.919 -0.333 15.000 1.00 53.20 H new ATOM 0 HZ2 LYS A 38 4.017 -1.772 14.995 1.00 53.20 H new ATOM 0 HZ3 LYS A 38 5.647 -1.791 14.521 1.00 53.20 H new ATOM 614 N LYS A 39 6.348 -1.144 7.209 1.00 32.22 N ATOM 615 CA LYS A 39 7.508 -0.747 6.379 1.00 72.24 C ATOM 616 C LYS A 39 7.064 0.108 5.179 1.00 13.35 C ATOM 617 O LYS A 39 7.609 1.186 4.943 1.00 72.55 O ATOM 618 CB LYS A 39 8.313 -1.989 5.886 1.00 65.54 C ATOM 619 CG LYS A 39 9.148 -2.698 6.984 1.00 3.21 C ATOM 620 CD LYS A 39 10.024 -3.834 6.398 1.00 42.04 C ATOM 621 CE LYS A 39 11.054 -4.398 7.395 1.00 21.34 C ATOM 622 NZ LYS A 39 10.419 -5.068 8.561 1.00 60.24 N ATOM 0 H LYS A 39 6.217 -2.154 7.271 1.00 32.22 H new ATOM 0 HA LYS A 39 8.164 -0.147 7.010 1.00 72.24 H new ATOM 0 HB2 LYS A 39 7.617 -2.709 5.457 1.00 65.54 H new ATOM 0 HB3 LYS A 39 8.983 -1.676 5.085 1.00 65.54 H new ATOM 0 HG2 LYS A 39 9.785 -1.968 7.484 1.00 3.21 H new ATOM 0 HG3 LYS A 39 8.479 -3.108 7.741 1.00 3.21 H new ATOM 0 HD2 LYS A 39 9.376 -4.643 6.061 1.00 42.04 H new ATOM 0 HD3 LYS A 39 10.549 -3.460 5.519 1.00 42.04 H new ATOM 0 HE2 LYS A 39 11.700 -5.109 6.880 1.00 21.34 H new ATOM 0 HE3 LYS A 39 11.691 -3.588 7.750 1.00 21.34 H new ATOM 0 HZ1 LYS A 39 11.137 -5.247 9.292 1.00 60.24 H new ATOM 0 HZ2 LYS A 39 9.674 -4.455 8.950 1.00 60.24 H new ATOM 0 HZ3 LYS A 39 10.002 -5.971 8.258 1.00 60.24 H new ATOM 636 N VAL A 40 6.055 -0.380 4.440 1.00 61.10 N ATOM 637 CA VAL A 40 5.522 0.324 3.259 1.00 44.02 C ATOM 638 C VAL A 40 4.850 1.646 3.673 1.00 31.31 C ATOM 639 O VAL A 40 5.042 2.659 3.006 1.00 62.24 O ATOM 640 CB VAL A 40 4.526 -0.587 2.442 1.00 21.43 C ATOM 641 CG1 VAL A 40 3.864 0.180 1.271 1.00 4.23 C ATOM 642 CG2 VAL A 40 5.253 -1.848 1.925 1.00 2.43 C ATOM 0 H VAL A 40 5.588 -1.265 4.640 1.00 61.10 H new ATOM 0 HA VAL A 40 6.361 0.557 2.603 1.00 44.02 H new ATOM 0 HB VAL A 40 3.728 -0.890 3.120 1.00 21.43 H new ATOM 0 HG11 VAL A 40 3.187 -0.486 0.737 1.00 4.23 H new ATOM 0 HG12 VAL A 40 3.304 1.029 1.663 1.00 4.23 H new ATOM 0 HG13 VAL A 40 4.635 0.538 0.588 1.00 4.23 H new ATOM 0 HG21 VAL A 40 4.553 -2.467 1.363 1.00 2.43 H new ATOM 0 HG22 VAL A 40 6.078 -1.552 1.276 1.00 2.43 H new ATOM 0 HG23 VAL A 40 5.642 -2.416 2.770 1.00 2.43 H new ATOM 652 N ALA A 41 4.121 1.626 4.805 1.00 22.43 N ATOM 653 CA ALA A 41 3.387 2.805 5.313 1.00 61.33 C ATOM 654 C ALA A 41 4.333 3.987 5.620 1.00 3.13 C ATOM 655 O ALA A 41 4.090 5.110 5.168 1.00 75.24 O ATOM 656 CB ALA A 41 2.554 2.436 6.556 1.00 72.31 C ATOM 0 H ALA A 41 4.023 0.798 5.392 1.00 22.43 H new ATOM 0 HA ALA A 41 2.709 3.129 4.523 1.00 61.33 H new ATOM 0 HB1 ALA A 41 2.022 3.318 6.913 1.00 72.31 H new ATOM 0 HB2 ALA A 41 1.835 1.660 6.295 1.00 72.31 H new ATOM 0 HB3 ALA A 41 3.215 2.069 7.341 1.00 72.31 H new ATOM 662 N GLU A 42 5.423 3.709 6.363 1.00 21.25 N ATOM 663 CA GLU A 42 6.392 4.747 6.780 1.00 64.50 C ATOM 664 C GLU A 42 7.231 5.259 5.585 1.00 72.31 C ATOM 665 O GLU A 42 7.500 6.457 5.486 1.00 72.33 O ATOM 666 CB GLU A 42 7.336 4.221 7.902 1.00 53.45 C ATOM 667 CG GLU A 42 8.193 3.007 7.494 1.00 31.52 C ATOM 668 CD GLU A 42 9.242 2.591 8.531 1.00 34.42 C ATOM 669 OE1 GLU A 42 8.866 2.199 9.648 1.00 43.44 O ATOM 670 OE2 GLU A 42 10.449 2.639 8.230 1.00 53.45 O ATOM 0 H GLU A 42 5.656 2.771 6.689 1.00 21.25 H new ATOM 0 HA GLU A 42 5.811 5.581 7.173 1.00 64.50 H new ATOM 0 HB2 GLU A 42 7.998 5.030 8.212 1.00 53.45 H new ATOM 0 HB3 GLU A 42 6.734 3.951 8.770 1.00 53.45 H new ATOM 0 HG2 GLU A 42 7.533 2.160 7.304 1.00 31.52 H new ATOM 0 HG3 GLU A 42 8.699 3.234 6.556 1.00 31.52 H new ATOM 677 N LYS A 43 7.638 4.337 4.686 1.00 53.20 N ATOM 678 CA LYS A 43 8.531 4.660 3.553 1.00 12.31 C ATOM 679 C LYS A 43 7.771 5.373 2.419 1.00 51.12 C ATOM 680 O LYS A 43 8.357 6.192 1.714 1.00 11.32 O ATOM 681 CB LYS A 43 9.265 3.388 3.035 1.00 34.03 C ATOM 682 CG LYS A 43 10.294 2.796 4.032 1.00 24.03 C ATOM 683 CD LYS A 43 11.097 1.593 3.454 1.00 35.44 C ATOM 684 CE LYS A 43 10.218 0.370 3.134 1.00 63.33 C ATOM 685 NZ LYS A 43 11.027 -0.783 2.625 1.00 62.45 N ATOM 0 H LYS A 43 7.360 3.356 4.724 1.00 53.20 H new ATOM 0 HA LYS A 43 9.289 5.353 3.919 1.00 12.31 H new ATOM 0 HB2 LYS A 43 8.523 2.625 2.800 1.00 34.03 H new ATOM 0 HB3 LYS A 43 9.777 3.632 2.104 1.00 34.03 H new ATOM 0 HG2 LYS A 43 10.992 3.579 4.330 1.00 24.03 H new ATOM 0 HG3 LYS A 43 9.772 2.475 4.933 1.00 24.03 H new ATOM 0 HD2 LYS A 43 11.610 1.910 2.546 1.00 35.44 H new ATOM 0 HD3 LYS A 43 11.866 1.302 4.169 1.00 35.44 H new ATOM 0 HE2 LYS A 43 9.678 0.066 4.031 1.00 63.33 H new ATOM 0 HE3 LYS A 43 9.470 0.645 2.390 1.00 63.33 H new ATOM 0 HZ1 LYS A 43 10.398 -1.586 2.422 1.00 62.45 H new ATOM 0 HZ2 LYS A 43 11.522 -0.502 1.755 1.00 62.45 H new ATOM 0 HZ3 LYS A 43 11.724 -1.063 3.345 1.00 62.45 H new ATOM 699 N ALA A 44 6.469 5.066 2.264 1.00 71.41 N ATOM 700 CA ALA A 44 5.591 5.726 1.272 1.00 14.21 C ATOM 701 C ALA A 44 5.224 7.135 1.750 1.00 20.20 C ATOM 702 O ALA A 44 5.114 8.071 0.948 1.00 55.02 O ATOM 703 CB ALA A 44 4.332 4.887 1.033 1.00 72.25 C ATOM 0 H ALA A 44 5.994 4.355 2.821 1.00 71.41 H new ATOM 0 HA ALA A 44 6.127 5.811 0.327 1.00 14.21 H new ATOM 0 HB1 ALA A 44 3.696 5.385 0.301 1.00 72.25 H new ATOM 0 HB2 ALA A 44 4.616 3.904 0.658 1.00 72.25 H new ATOM 0 HB3 ALA A 44 3.787 4.774 1.970 1.00 72.25 H new ATOM 709 N ALA A 45 5.036 7.261 3.075 1.00 4.42 N ATOM 710 CA ALA A 45 4.864 8.561 3.739 1.00 44.13 C ATOM 711 C ALA A 45 6.167 9.384 3.669 1.00 32.25 C ATOM 712 O ALA A 45 6.123 10.615 3.626 1.00 2.32 O ATOM 713 CB ALA A 45 4.419 8.366 5.198 1.00 53.45 C ATOM 0 H ALA A 45 4.999 6.466 3.713 1.00 4.42 H new ATOM 0 HA ALA A 45 4.085 9.115 3.215 1.00 44.13 H new ATOM 0 HB1 ALA A 45 4.297 9.339 5.674 1.00 53.45 H new ATOM 0 HB2 ALA A 45 3.471 7.829 5.220 1.00 53.45 H new ATOM 0 HB3 ALA A 45 5.174 7.792 5.735 1.00 53.45 H new ATOM 719 N ASP A 46 7.322 8.667 3.633 1.00 53.31 N ATOM 720 CA ASP A 46 8.674 9.269 3.603 1.00 70.43 C ATOM 721 C ASP A 46 8.924 9.935 2.249 1.00 4.15 C ATOM 722 O ASP A 46 9.591 10.980 2.162 1.00 44.10 O ATOM 723 CB ASP A 46 9.765 8.202 3.918 1.00 53.51 C ATOM 724 CG ASP A 46 11.178 8.795 4.080 1.00 44.53 C ATOM 725 OD1 ASP A 46 11.509 9.269 5.187 1.00 24.33 O ATOM 726 OD2 ASP A 46 11.964 8.793 3.104 1.00 54.24 O ATOM 0 H ASP A 46 7.336 7.647 3.624 1.00 53.31 H new ATOM 0 HA ASP A 46 8.732 10.035 4.377 1.00 70.43 H new ATOM 0 HB2 ASP A 46 9.494 7.676 4.833 1.00 53.51 H new ATOM 0 HB3 ASP A 46 9.780 7.462 3.118 1.00 53.51 H new ATOM 731 N LYS A 47 8.357 9.324 1.200 1.00 0.22 N ATOM 732 CA LYS A 47 8.360 9.877 -0.159 1.00 50.41 C ATOM 733 C LYS A 47 7.682 11.257 -0.178 1.00 50.10 C ATOM 734 O LYS A 47 8.169 12.195 -0.801 1.00 32.12 O ATOM 735 CB LYS A 47 7.610 8.922 -1.123 1.00 3.34 C ATOM 736 CG LYS A 47 8.122 7.466 -1.151 1.00 64.22 C ATOM 737 CD LYS A 47 9.596 7.338 -1.575 1.00 51.13 C ATOM 738 CE LYS A 47 9.862 7.939 -2.959 1.00 20.22 C ATOM 739 NZ LYS A 47 11.251 7.682 -3.410 1.00 34.52 N ATOM 0 H LYS A 47 7.880 8.425 1.272 1.00 0.22 H new ATOM 0 HA LYS A 47 9.395 9.984 -0.485 1.00 50.41 H new ATOM 0 HB2 LYS A 47 6.555 8.912 -0.848 1.00 3.34 H new ATOM 0 HB3 LYS A 47 7.673 9.330 -2.132 1.00 3.34 H new ATOM 0 HG2 LYS A 47 7.998 7.027 -0.161 1.00 64.22 H new ATOM 0 HG3 LYS A 47 7.504 6.886 -1.836 1.00 64.22 H new ATOM 0 HD2 LYS A 47 10.227 7.836 -0.839 1.00 51.13 H new ATOM 0 HD3 LYS A 47 9.880 6.286 -1.579 1.00 51.13 H new ATOM 0 HE2 LYS A 47 9.161 7.517 -3.680 1.00 20.22 H new ATOM 0 HE3 LYS A 47 9.682 9.014 -2.930 1.00 20.22 H new ATOM 0 HZ1 LYS A 47 11.582 8.481 -3.987 1.00 34.52 H new ATOM 0 HZ2 LYS A 47 11.870 7.573 -2.582 1.00 34.52 H new ATOM 0 HZ3 LYS A 47 11.276 6.811 -3.978 1.00 34.52 H new ATOM 753 N ILE A 48 6.547 11.348 0.523 1.00 74.42 N ATOM 754 CA ILE A 48 5.744 12.574 0.625 1.00 13.10 C ATOM 755 C ILE A 48 6.433 13.606 1.560 1.00 13.13 C ATOM 756 O ILE A 48 6.312 14.811 1.346 1.00 35.22 O ATOM 757 CB ILE A 48 4.269 12.225 1.066 1.00 34.44 C ATOM 758 CG1 ILE A 48 3.695 11.121 0.108 1.00 45.32 C ATOM 759 CG2 ILE A 48 3.361 13.479 1.078 1.00 50.42 C ATOM 760 CD1 ILE A 48 2.256 10.690 0.336 1.00 45.14 C ATOM 0 H ILE A 48 6.154 10.563 1.043 1.00 74.42 H new ATOM 0 HA ILE A 48 5.677 13.046 -0.355 1.00 13.10 H new ATOM 0 HB ILE A 48 4.289 11.845 2.087 1.00 34.44 H new ATOM 0 HG12 ILE A 48 3.782 11.483 -0.916 1.00 45.32 H new ATOM 0 HG13 ILE A 48 4.330 10.239 0.189 1.00 45.32 H new ATOM 0 HG21 ILE A 48 2.355 13.197 1.387 1.00 50.42 H new ATOM 0 HG22 ILE A 48 3.763 14.212 1.777 1.00 50.42 H new ATOM 0 HG23 ILE A 48 3.326 13.912 0.078 1.00 50.42 H new ATOM 0 HD11 ILE A 48 1.986 9.925 -0.392 1.00 45.14 H new ATOM 0 HD12 ILE A 48 2.152 10.286 1.343 1.00 45.14 H new ATOM 0 HD13 ILE A 48 1.596 11.550 0.220 1.00 45.14 H new ATOM 772 N LYS A 49 7.181 13.110 2.575 1.00 31.13 N ATOM 773 CA LYS A 49 7.954 13.955 3.530 1.00 32.11 C ATOM 774 C LYS A 49 8.979 14.878 2.818 1.00 62.32 C ATOM 775 O LYS A 49 9.177 16.021 3.246 1.00 35.40 O ATOM 776 CB LYS A 49 8.692 13.060 4.571 1.00 20.15 C ATOM 777 CG LYS A 49 7.802 12.473 5.697 1.00 13.40 C ATOM 778 CD LYS A 49 8.537 11.382 6.520 1.00 72.45 C ATOM 779 CE LYS A 49 9.872 11.850 7.126 1.00 63.25 C ATOM 780 NZ LYS A 49 10.662 10.709 7.675 1.00 11.14 N ATOM 0 H LYS A 49 7.268 12.110 2.759 1.00 31.13 H new ATOM 0 HA LYS A 49 7.232 14.596 4.036 1.00 32.11 H new ATOM 0 HB2 LYS A 49 9.169 12.235 4.042 1.00 20.15 H new ATOM 0 HB3 LYS A 49 9.488 13.647 5.030 1.00 20.15 H new ATOM 0 HG2 LYS A 49 7.486 13.276 6.363 1.00 13.40 H new ATOM 0 HG3 LYS A 49 6.899 12.048 5.259 1.00 13.40 H new ATOM 0 HD2 LYS A 49 7.883 11.045 7.324 1.00 72.45 H new ATOM 0 HD3 LYS A 49 8.723 10.521 5.878 1.00 72.45 H new ATOM 0 HE2 LYS A 49 10.457 12.363 6.363 1.00 63.25 H new ATOM 0 HE3 LYS A 49 9.678 12.572 7.919 1.00 63.25 H new ATOM 0 HZ1 LYS A 49 11.468 11.075 8.221 1.00 11.14 H new ATOM 0 HZ2 LYS A 49 10.056 10.134 8.295 1.00 11.14 H new ATOM 0 HZ3 LYS A 49 11.013 10.121 6.892 1.00 11.14 H new ATOM 794 N LYS A 50 9.638 14.374 1.749 1.00 65.30 N ATOM 795 CA LYS A 50 10.640 15.178 0.992 1.00 50.41 C ATOM 796 C LYS A 50 9.938 16.182 0.055 1.00 33.52 C ATOM 797 O LYS A 50 10.394 17.322 -0.119 1.00 5.42 O ATOM 798 CB LYS A 50 11.617 14.274 0.180 1.00 1.03 C ATOM 799 CG LYS A 50 10.961 13.426 -0.943 1.00 4.10 C ATOM 800 CD LYS A 50 11.968 12.823 -1.951 1.00 72.23 C ATOM 801 CE LYS A 50 12.697 13.908 -2.765 1.00 64.13 C ATOM 802 NZ LYS A 50 13.667 13.325 -3.730 1.00 51.14 N ATOM 0 H LYS A 50 9.501 13.429 1.391 1.00 65.30 H new ATOM 0 HA LYS A 50 11.230 15.730 1.724 1.00 50.41 H new ATOM 0 HB2 LYS A 50 12.384 14.907 -0.267 1.00 1.03 H new ATOM 0 HB3 LYS A 50 12.122 13.601 0.872 1.00 1.03 H new ATOM 0 HG2 LYS A 50 10.392 12.616 -0.486 1.00 4.10 H new ATOM 0 HG3 LYS A 50 10.250 14.049 -1.485 1.00 4.10 H new ATOM 0 HD2 LYS A 50 12.701 12.221 -1.414 1.00 72.23 H new ATOM 0 HD3 LYS A 50 11.442 12.153 -2.631 1.00 72.23 H new ATOM 0 HE2 LYS A 50 11.965 14.509 -3.305 1.00 64.13 H new ATOM 0 HE3 LYS A 50 13.221 14.580 -2.085 1.00 64.13 H new ATOM 0 HZ1 LYS A 50 13.488 13.712 -4.679 1.00 51.14 H new ATOM 0 HZ2 LYS A 50 14.636 13.563 -3.435 1.00 51.14 H new ATOM 0 HZ3 LYS A 50 13.556 12.291 -3.752 1.00 51.14 H new ATOM 816 N GLN A 51 8.820 15.722 -0.524 1.00 74.34 N ATOM 817 CA GLN A 51 8.036 16.447 -1.528 1.00 52.41 C ATOM 818 C GLN A 51 6.760 15.634 -1.792 1.00 35.24 C ATOM 819 O GLN A 51 6.849 14.411 -1.951 1.00 22.31 O ATOM 820 CB GLN A 51 8.861 16.628 -2.838 1.00 53.21 C ATOM 821 CG GLN A 51 8.169 17.456 -3.935 1.00 13.42 C ATOM 822 CD GLN A 51 9.068 17.679 -5.156 1.00 43.35 C ATOM 823 OE1 GLN A 51 9.793 18.676 -5.241 1.00 21.30 O ATOM 824 NE2 GLN A 51 9.058 16.740 -6.094 1.00 1.42 N ATOM 0 H GLN A 51 8.427 14.808 -0.299 1.00 74.34 H new ATOM 0 HA GLN A 51 7.780 17.444 -1.169 1.00 52.41 H new ATOM 0 HB2 GLN A 51 9.810 17.104 -2.589 1.00 53.21 H new ATOM 0 HB3 GLN A 51 9.095 15.643 -3.241 1.00 53.21 H new ATOM 0 HG2 GLN A 51 7.256 16.949 -4.248 1.00 13.42 H new ATOM 0 HG3 GLN A 51 7.873 18.421 -3.525 1.00 13.42 H new ATOM 0 HE21 GLN A 51 8.449 15.928 -5.996 1.00 1.42 H new ATOM 0 HE22 GLN A 51 9.660 16.830 -6.913 1.00 1.42 H new ATOM 833 N GLY A 52 5.604 16.318 -1.836 1.00 51.52 N ATOM 834 CA GLY A 52 4.287 15.672 -1.892 1.00 1.15 C ATOM 835 C GLY A 52 4.104 14.688 -3.051 1.00 32.53 C ATOM 836 O GLY A 52 3.749 15.089 -4.170 1.00 13.13 O ATOM 0 H GLY A 52 5.560 17.337 -1.834 1.00 51.52 H new ATOM 0 HA2 GLY A 52 4.117 15.143 -0.954 1.00 1.15 H new ATOM 0 HA3 GLY A 52 3.522 16.445 -1.965 1.00 1.15 H new ATOM 840 N CYS A 53 4.381 13.391 -2.782 1.00 41.41 N ATOM 841 CA CYS A 53 4.070 12.286 -3.707 1.00 43.10 C ATOM 842 C CYS A 53 2.563 11.979 -3.599 1.00 62.15 C ATOM 843 O CYS A 53 2.142 10.969 -3.019 1.00 44.35 O ATOM 844 CB CYS A 53 4.927 11.041 -3.370 1.00 1.21 C ATOM 845 SG CYS A 53 6.701 11.367 -3.296 1.00 11.24 S ATOM 0 H CYS A 53 4.826 13.085 -1.917 1.00 41.41 H new ATOM 0 HA CYS A 53 4.309 12.570 -4.732 1.00 43.10 H new ATOM 0 HB2 CYS A 53 4.602 10.638 -2.411 1.00 1.21 H new ATOM 0 HB3 CYS A 53 4.741 10.271 -4.119 1.00 1.21 H new ATOM 0 HG CYS A 53 6.995 12.349 -4.095 1.00 11.24 H new ATOM 851 N LYS A 54 1.759 12.902 -4.151 1.00 23.23 N ATOM 852 CA LYS A 54 0.307 12.965 -3.914 1.00 43.03 C ATOM 853 C LYS A 54 -0.505 11.988 -4.803 1.00 63.33 C ATOM 854 O LYS A 54 -1.741 12.076 -4.874 1.00 71.43 O ATOM 855 CB LYS A 54 -0.168 14.451 -4.023 1.00 43.24 C ATOM 856 CG LYS A 54 0.177 15.208 -5.328 1.00 24.01 C ATOM 857 CD LYS A 54 -0.257 16.696 -5.241 1.00 43.14 C ATOM 858 CE LYS A 54 0.061 17.507 -6.510 1.00 70.20 C ATOM 859 NZ LYS A 54 -0.581 16.935 -7.728 1.00 71.31 N ATOM 0 H LYS A 54 2.100 13.630 -4.778 1.00 23.23 H new ATOM 0 HA LYS A 54 0.107 12.616 -2.901 1.00 43.03 H new ATOM 0 HB2 LYS A 54 -1.251 14.470 -3.897 1.00 43.24 H new ATOM 0 HB3 LYS A 54 0.260 15.005 -3.187 1.00 43.24 H new ATOM 0 HG2 LYS A 54 1.249 15.149 -5.514 1.00 24.01 H new ATOM 0 HG3 LYS A 54 -0.320 14.730 -6.172 1.00 24.01 H new ATOM 0 HD2 LYS A 54 -1.329 16.742 -5.050 1.00 43.14 H new ATOM 0 HD3 LYS A 54 0.239 17.161 -4.389 1.00 43.14 H new ATOM 0 HE2 LYS A 54 -0.275 18.535 -6.374 1.00 70.20 H new ATOM 0 HE3 LYS A 54 1.141 17.541 -6.654 1.00 70.20 H new ATOM 0 HZ1 LYS A 54 -0.407 17.562 -8.539 1.00 71.31 H new ATOM 0 HZ2 LYS A 54 -0.179 15.996 -7.924 1.00 71.31 H new ATOM 0 HZ3 LYS A 54 -1.605 16.847 -7.572 1.00 71.31 H new ATOM 873 N ARG A 55 0.201 11.030 -5.437 1.00 5.30 N ATOM 874 CA ARG A 55 -0.404 9.854 -6.079 1.00 54.05 C ATOM 875 C ARG A 55 0.424 8.609 -5.707 1.00 50.01 C ATOM 876 O ARG A 55 1.607 8.516 -6.023 1.00 51.53 O ATOM 877 CB ARG A 55 -0.499 10.028 -7.628 1.00 45.51 C ATOM 878 CG ARG A 55 -1.059 8.785 -8.377 1.00 61.11 C ATOM 879 CD ARG A 55 -1.265 9.015 -9.889 1.00 65.23 C ATOM 880 NE ARG A 55 -0.023 9.388 -10.584 1.00 34.53 N ATOM 881 CZ ARG A 55 0.141 9.423 -11.927 1.00 4.01 C ATOM 882 NH1 ARG A 55 -0.843 9.097 -12.762 1.00 73.53 N ATOM 883 NH2 ARG A 55 1.301 9.799 -12.434 1.00 31.01 N ATOM 0 H ARG A 55 1.218 11.055 -5.516 1.00 5.30 H new ATOM 0 HA ARG A 55 -1.426 9.735 -5.718 1.00 54.05 H new ATOM 0 HB2 ARG A 55 -1.134 10.887 -7.847 1.00 45.51 H new ATOM 0 HB3 ARG A 55 0.493 10.257 -8.018 1.00 45.51 H new ATOM 0 HG2 ARG A 55 -0.376 7.948 -8.235 1.00 61.11 H new ATOM 0 HG3 ARG A 55 -2.011 8.499 -7.929 1.00 61.11 H new ATOM 0 HD2 ARG A 55 -1.669 8.108 -10.338 1.00 65.23 H new ATOM 0 HD3 ARG A 55 -2.007 9.800 -10.035 1.00 65.23 H new ATOM 0 HE ARG A 55 0.779 9.641 -10.007 1.00 34.53 H new ATOM 0 HH11 ARG A 55 -1.750 8.811 -12.394 1.00 73.53 H new ATOM 0 HH12 ARG A 55 -0.690 9.133 -13.770 1.00 73.53 H new ATOM 0 HH21 ARG A 55 2.068 10.061 -11.814 1.00 31.01 H new ATOM 0 HH22 ARG A 55 1.430 9.827 -13.445 1.00 31.01 H new ATOM 897 N VAL A 56 -0.210 7.669 -5.011 1.00 0.43 N ATOM 898 CA VAL A 56 0.356 6.348 -4.702 1.00 31.40 C ATOM 899 C VAL A 56 -0.421 5.312 -5.525 1.00 62.41 C ATOM 900 O VAL A 56 -1.618 5.473 -5.767 1.00 34.23 O ATOM 901 CB VAL A 56 0.259 6.014 -3.160 1.00 2.13 C ATOM 902 CG1 VAL A 56 0.676 4.552 -2.841 1.00 42.25 C ATOM 903 CG2 VAL A 56 1.074 7.027 -2.316 1.00 75.14 C ATOM 0 H VAL A 56 -1.150 7.801 -4.637 1.00 0.43 H new ATOM 0 HA VAL A 56 1.416 6.334 -4.957 1.00 31.40 H new ATOM 0 HB VAL A 56 -0.791 6.108 -2.883 1.00 2.13 H new ATOM 0 HG11 VAL A 56 0.591 4.375 -1.769 1.00 42.25 H new ATOM 0 HG12 VAL A 56 0.022 3.862 -3.375 1.00 42.25 H new ATOM 0 HG13 VAL A 56 1.707 4.391 -3.155 1.00 42.25 H new ATOM 0 HG21 VAL A 56 0.989 6.772 -1.260 1.00 75.14 H new ATOM 0 HG22 VAL A 56 2.122 6.990 -2.615 1.00 75.14 H new ATOM 0 HG23 VAL A 56 0.686 8.032 -2.479 1.00 75.14 H new ATOM 913 N LYS A 57 0.281 4.278 -5.987 1.00 30.34 N ATOM 914 CA LYS A 57 -0.296 3.172 -6.759 1.00 23.53 C ATOM 915 C LYS A 57 0.049 1.860 -6.041 1.00 11.31 C ATOM 916 O LYS A 57 1.212 1.503 -5.942 1.00 72.13 O ATOM 917 CB LYS A 57 0.300 3.167 -8.198 1.00 25.03 C ATOM 918 CG LYS A 57 0.138 4.496 -8.975 1.00 25.24 C ATOM 919 CD LYS A 57 0.804 4.455 -10.366 1.00 63.21 C ATOM 920 CE LYS A 57 0.212 3.379 -11.292 1.00 33.01 C ATOM 921 NZ LYS A 57 -1.229 3.607 -11.577 1.00 71.25 N ATOM 0 H LYS A 57 1.285 4.181 -5.834 1.00 30.34 H new ATOM 0 HA LYS A 57 -1.378 3.284 -6.835 1.00 23.53 H new ATOM 0 HB2 LYS A 57 1.361 2.927 -8.135 1.00 25.03 H new ATOM 0 HB3 LYS A 57 -0.174 2.369 -8.769 1.00 25.03 H new ATOM 0 HG2 LYS A 57 -0.923 4.718 -9.091 1.00 25.24 H new ATOM 0 HG3 LYS A 57 0.572 5.309 -8.392 1.00 25.24 H new ATOM 0 HD2 LYS A 57 0.699 5.431 -10.840 1.00 63.21 H new ATOM 0 HD3 LYS A 57 1.872 4.273 -10.245 1.00 63.21 H new ATOM 0 HE2 LYS A 57 0.767 3.365 -12.230 1.00 33.01 H new ATOM 0 HE3 LYS A 57 0.338 2.399 -10.832 1.00 33.01 H new ATOM 0 HZ1 LYS A 57 -1.774 2.763 -11.309 1.00 71.25 H new ATOM 0 HZ2 LYS A 57 -1.566 4.425 -11.030 1.00 71.25 H new ATOM 0 HZ3 LYS A 57 -1.357 3.794 -12.592 1.00 71.25 H new ATOM 935 N ILE A 58 -0.950 1.157 -5.523 1.00 23.24 N ATOM 936 CA ILE A 58 -0.769 -0.181 -4.935 1.00 54.45 C ATOM 937 C ILE A 58 -1.250 -1.205 -5.967 1.00 42.45 C ATOM 938 O ILE A 58 -2.401 -1.160 -6.393 1.00 30.42 O ATOM 939 CB ILE A 58 -1.571 -0.345 -3.583 1.00 72.55 C ATOM 940 CG1 ILE A 58 -1.041 0.650 -2.494 1.00 34.33 C ATOM 941 CG2 ILE A 58 -1.543 -1.807 -3.083 1.00 22.44 C ATOM 942 CD1 ILE A 58 -1.806 0.626 -1.175 1.00 1.10 C ATOM 0 H ILE A 58 -1.913 1.491 -5.495 1.00 23.24 H new ATOM 0 HA ILE A 58 0.283 -0.333 -4.692 1.00 54.45 H new ATOM 0 HB ILE A 58 -2.613 -0.095 -3.780 1.00 72.55 H new ATOM 0 HG12 ILE A 58 0.006 0.423 -2.294 1.00 34.33 H new ATOM 0 HG13 ILE A 58 -1.076 1.661 -2.899 1.00 34.33 H new ATOM 0 HG21 ILE A 58 -2.104 -1.884 -2.152 1.00 22.44 H new ATOM 0 HG22 ILE A 58 -1.994 -2.457 -3.833 1.00 22.44 H new ATOM 0 HG23 ILE A 58 -0.511 -2.113 -2.911 1.00 22.44 H new ATOM 0 HD11 ILE A 58 -1.366 1.347 -0.486 1.00 1.10 H new ATOM 0 HD12 ILE A 58 -2.849 0.886 -1.355 1.00 1.10 H new ATOM 0 HD13 ILE A 58 -1.750 -0.372 -0.740 1.00 1.10 H new ATOM 954 N ARG A 59 -0.346 -2.083 -6.410 1.00 51.35 N ATOM 955 CA ARG A 59 -0.666 -3.170 -7.352 1.00 2.44 C ATOM 956 C ARG A 59 -0.217 -4.503 -6.746 1.00 75.52 C ATOM 957 O ARG A 59 0.719 -4.548 -5.934 1.00 4.34 O ATOM 958 CB ARG A 59 0.018 -2.924 -8.731 1.00 1.24 C ATOM 959 CG ARG A 59 -0.389 -1.594 -9.420 1.00 50.40 C ATOM 960 CD ARG A 59 0.208 -1.454 -10.832 1.00 22.43 C ATOM 961 NE ARG A 59 -0.231 -2.544 -11.723 1.00 22.04 N ATOM 962 CZ ARG A 59 0.555 -3.276 -12.532 1.00 52.12 C ATOM 963 NH1 ARG A 59 1.870 -3.064 -12.603 1.00 13.54 N ATOM 964 NH2 ARG A 59 0.010 -4.222 -13.279 1.00 54.50 N ATOM 0 H ARG A 59 0.634 -2.064 -6.127 1.00 51.35 H new ATOM 0 HA ARG A 59 -1.742 -3.199 -7.522 1.00 2.44 H new ATOM 0 HB2 ARG A 59 1.099 -2.932 -8.593 1.00 1.24 H new ATOM 0 HB3 ARG A 59 -0.224 -3.753 -9.396 1.00 1.24 H new ATOM 0 HG2 ARG A 59 -1.476 -1.538 -9.482 1.00 50.40 H new ATOM 0 HG3 ARG A 59 -0.061 -0.755 -8.806 1.00 50.40 H new ATOM 0 HD2 ARG A 59 -0.087 -0.495 -11.258 1.00 22.43 H new ATOM 0 HD3 ARG A 59 1.296 -1.453 -10.768 1.00 22.43 H new ATOM 0 HE ARG A 59 -1.227 -2.764 -11.726 1.00 22.04 H new ATOM 0 HH11 ARG A 59 2.300 -2.333 -12.036 1.00 13.54 H new ATOM 0 HH12 ARG A 59 2.445 -3.633 -13.224 1.00 13.54 H new ATOM 0 HH21 ARG A 59 -0.995 -4.389 -13.237 1.00 54.50 H new ATOM 0 HH22 ARG A 59 0.595 -4.784 -13.897 1.00 54.50 H new ATOM 978 N PHE A 60 -0.893 -5.579 -7.143 1.00 43.32 N ATOM 979 CA PHE A 60 -0.651 -6.921 -6.612 1.00 55.31 C ATOM 980 C PHE A 60 -1.058 -7.978 -7.647 1.00 4.01 C ATOM 981 O PHE A 60 -2.117 -7.873 -8.291 1.00 42.51 O ATOM 982 CB PHE A 60 -1.418 -7.098 -5.271 1.00 2.24 C ATOM 983 CG PHE A 60 -1.402 -8.514 -4.683 1.00 33.12 C ATOM 984 CD1 PHE A 60 -0.202 -9.158 -4.386 1.00 1.23 C ATOM 985 CD2 PHE A 60 -2.592 -9.206 -4.443 1.00 33.25 C ATOM 986 CE1 PHE A 60 -0.190 -10.438 -3.863 1.00 15.35 C ATOM 987 CE2 PHE A 60 -2.577 -10.485 -3.920 1.00 30.23 C ATOM 988 CZ PHE A 60 -1.379 -11.102 -3.632 1.00 35.32 C ATOM 0 H PHE A 60 -1.630 -5.545 -7.847 1.00 43.32 H new ATOM 0 HA PHE A 60 0.412 -7.053 -6.411 1.00 55.31 H new ATOM 0 HB2 PHE A 60 -0.993 -6.414 -4.537 1.00 2.24 H new ATOM 0 HB3 PHE A 60 -2.455 -6.798 -5.423 1.00 2.24 H new ATOM 0 HD1 PHE A 60 0.733 -8.649 -4.567 1.00 1.23 H new ATOM 0 HD2 PHE A 60 -3.537 -8.735 -4.669 1.00 33.25 H new ATOM 0 HE1 PHE A 60 0.750 -10.919 -3.635 1.00 15.35 H new ATOM 0 HE2 PHE A 60 -3.507 -11.003 -3.736 1.00 30.23 H new ATOM 0 HZ PHE A 60 -1.370 -12.103 -3.226 1.00 35.32 H new ATOM 998 N GLU A 61 -0.210 -9.007 -7.761 1.00 34.14 N ATOM 999 CA GLU A 61 -0.350 -10.089 -8.733 1.00 60.44 C ATOM 1000 C GLU A 61 -1.090 -11.276 -8.099 1.00 0.25 C ATOM 1001 O GLU A 61 -0.608 -11.875 -7.125 1.00 71.14 O ATOM 1002 CB GLU A 61 1.048 -10.534 -9.223 1.00 62.15 C ATOM 1003 CG GLU A 61 1.041 -11.657 -10.276 1.00 14.24 C ATOM 1004 CD GLU A 61 2.447 -12.182 -10.595 1.00 44.21 C ATOM 1005 OE1 GLU A 61 3.372 -11.367 -10.772 1.00 60.34 O ATOM 1006 OE2 GLU A 61 2.627 -13.414 -10.712 1.00 43.34 O ATOM 0 H GLU A 61 0.611 -9.109 -7.164 1.00 34.14 H new ATOM 0 HA GLU A 61 -0.929 -9.731 -9.584 1.00 60.44 H new ATOM 0 HB2 GLU A 61 1.563 -9.668 -9.640 1.00 62.15 H new ATOM 0 HB3 GLU A 61 1.629 -10.867 -8.363 1.00 62.15 H new ATOM 0 HG2 GLU A 61 0.423 -12.481 -9.918 1.00 14.24 H new ATOM 0 HG3 GLU A 61 0.580 -11.287 -11.192 1.00 14.24 H new ATOM 1013 N LYS A 62 -2.261 -11.591 -8.664 1.00 40.33 N ATOM 1014 CA LYS A 62 -3.098 -12.729 -8.263 1.00 71.42 C ATOM 1015 C LYS A 62 -4.170 -12.958 -9.344 1.00 74.51 C ATOM 1016 O LYS A 62 -4.486 -12.039 -10.118 1.00 51.32 O ATOM 1017 CB LYS A 62 -3.751 -12.475 -6.862 1.00 12.15 C ATOM 1018 CG LYS A 62 -4.744 -11.271 -6.805 1.00 3.44 C ATOM 1019 CD LYS A 62 -6.241 -11.678 -7.001 1.00 34.15 C ATOM 1020 CE LYS A 62 -7.049 -10.613 -7.746 1.00 0.32 C ATOM 1021 NZ LYS A 62 -6.637 -10.504 -9.175 1.00 20.33 N ATOM 0 H LYS A 62 -2.663 -11.050 -9.430 1.00 40.33 H new ATOM 0 HA LYS A 62 -2.482 -13.623 -8.171 1.00 71.42 H new ATOM 0 HB2 LYS A 62 -4.280 -13.377 -6.555 1.00 12.15 H new ATOM 0 HB3 LYS A 62 -2.958 -12.307 -6.133 1.00 12.15 H new ATOM 0 HG2 LYS A 62 -4.637 -10.769 -5.844 1.00 3.44 H new ATOM 0 HG3 LYS A 62 -4.470 -10.549 -7.574 1.00 3.44 H new ATOM 0 HD2 LYS A 62 -6.289 -12.617 -7.553 1.00 34.15 H new ATOM 0 HD3 LYS A 62 -6.695 -11.857 -6.027 1.00 34.15 H new ATOM 0 HE2 LYS A 62 -8.110 -10.857 -7.691 1.00 0.32 H new ATOM 0 HE3 LYS A 62 -6.918 -9.648 -7.255 1.00 0.32 H new ATOM 0 HZ1 LYS A 62 -7.421 -10.109 -9.733 1.00 20.33 H new ATOM 0 HZ2 LYS A 62 -5.809 -9.880 -9.251 1.00 20.33 H new ATOM 0 HZ3 LYS A 62 -6.394 -11.447 -9.539 1.00 20.33 H new ATOM 1035 N LYS A 63 -4.747 -14.161 -9.361 1.00 22.04 N ATOM 1036 CA LYS A 63 -5.843 -14.532 -10.274 1.00 52.52 C ATOM 1037 C LYS A 63 -6.650 -15.648 -9.604 1.00 52.03 C ATOM 1038 O LYS A 63 -7.856 -15.508 -9.357 1.00 63.22 O ATOM 1039 CB LYS A 63 -5.268 -14.969 -11.669 1.00 45.34 C ATOM 1040 CG LYS A 63 -6.299 -15.054 -12.836 1.00 55.33 C ATOM 1041 CD LYS A 63 -7.161 -16.351 -12.876 1.00 31.01 C ATOM 1042 CE LYS A 63 -6.443 -17.565 -13.504 1.00 54.41 C ATOM 1043 NZ LYS A 63 -5.244 -18.014 -12.743 1.00 53.50 N ATOM 0 H LYS A 63 -4.467 -14.917 -8.736 1.00 22.04 H new ATOM 0 HA LYS A 63 -6.499 -13.682 -10.464 1.00 52.52 H new ATOM 0 HB2 LYS A 63 -4.484 -14.267 -11.953 1.00 45.34 H new ATOM 0 HB3 LYS A 63 -4.796 -15.945 -11.556 1.00 45.34 H new ATOM 0 HG2 LYS A 63 -6.968 -14.196 -12.770 1.00 55.33 H new ATOM 0 HG3 LYS A 63 -5.761 -14.967 -13.780 1.00 55.33 H new ATOM 0 HD2 LYS A 63 -7.462 -16.606 -11.860 1.00 31.01 H new ATOM 0 HD3 LYS A 63 -8.073 -16.151 -13.438 1.00 31.01 H new ATOM 0 HE2 LYS A 63 -7.147 -18.394 -13.577 1.00 54.41 H new ATOM 0 HE3 LYS A 63 -6.143 -17.312 -14.521 1.00 54.41 H new ATOM 0 HZ1 LYS A 63 -5.056 -19.015 -12.951 1.00 53.50 H new ATOM 0 HZ2 LYS A 63 -4.421 -17.442 -13.022 1.00 53.50 H new ATOM 0 HZ3 LYS A 63 -5.416 -17.898 -11.724 1.00 53.50 H new ATOM 1057 N GLY A 64 -5.946 -16.745 -9.306 1.00 74.44 N ATOM 1058 CA GLY A 64 -6.508 -17.899 -8.623 1.00 73.02 C ATOM 1059 C GLY A 64 -5.662 -18.243 -7.411 1.00 75.13 C ATOM 1060 O GLY A 64 -4.583 -18.833 -7.555 1.00 13.22 O ATOM 0 H GLY A 64 -4.958 -16.851 -9.538 1.00 74.44 H new ATOM 0 HA2 GLY A 64 -7.532 -17.687 -8.315 1.00 73.02 H new ATOM 0 HA3 GLY A 64 -6.549 -18.750 -9.302 1.00 73.02 H new ATOM 1064 N LEU A 65 -6.117 -17.815 -6.224 1.00 34.45 N ATOM 1065 CA LEU A 65 -5.447 -18.096 -4.940 1.00 41.24 C ATOM 1066 C LEU A 65 -6.484 -18.498 -3.892 1.00 64.34 C ATOM 1067 O LEU A 65 -7.696 -18.349 -4.109 1.00 13.14 O ATOM 1068 CB LEU A 65 -4.587 -16.886 -4.429 1.00 51.30 C ATOM 1069 CG LEU A 65 -5.317 -15.556 -3.991 1.00 71.52 C ATOM 1070 CD1 LEU A 65 -4.290 -14.509 -3.480 1.00 51.54 C ATOM 1071 CD2 LEU A 65 -6.196 -14.946 -5.108 1.00 3.02 C ATOM 0 H LEU A 65 -6.967 -17.260 -6.125 1.00 34.45 H new ATOM 0 HA LEU A 65 -4.755 -18.922 -5.107 1.00 41.24 H new ATOM 0 HB2 LEU A 65 -4.002 -17.235 -3.578 1.00 51.30 H new ATOM 0 HB3 LEU A 65 -3.880 -16.629 -5.218 1.00 51.30 H new ATOM 0 HG LEU A 65 -5.990 -15.830 -3.178 1.00 71.52 H new ATOM 0 HD11 LEU A 65 -4.814 -13.600 -3.183 1.00 51.54 H new ATOM 0 HD12 LEU A 65 -3.753 -14.915 -2.623 1.00 51.54 H new ATOM 0 HD13 LEU A 65 -3.581 -14.276 -4.275 1.00 51.54 H new ATOM 0 HD21 LEU A 65 -6.669 -14.035 -4.742 1.00 3.02 H new ATOM 0 HD22 LEU A 65 -5.575 -14.711 -5.972 1.00 3.02 H new ATOM 0 HD23 LEU A 65 -6.965 -15.662 -5.398 1.00 3.02 H new ATOM 1083 N ASP A 66 -5.985 -19.003 -2.759 1.00 74.02 N ATOM 1084 CA ASP A 66 -6.802 -19.415 -1.609 1.00 53.32 C ATOM 1085 C ASP A 66 -7.557 -18.205 -1.018 1.00 23.52 C ATOM 1086 O ASP A 66 -7.040 -17.079 -1.037 1.00 24.45 O ATOM 1087 CB ASP A 66 -5.882 -20.072 -0.550 1.00 53.21 C ATOM 1088 CG ASP A 66 -6.590 -20.484 0.754 1.00 44.34 C ATOM 1089 OD1 ASP A 66 -7.267 -21.533 0.778 1.00 45.01 O ATOM 1090 OD2 ASP A 66 -6.465 -19.759 1.761 1.00 14.15 O ATOM 0 H ASP A 66 -4.985 -19.140 -2.611 1.00 74.02 H new ATOM 0 HA ASP A 66 -7.550 -20.140 -1.930 1.00 53.32 H new ATOM 0 HB2 ASP A 66 -5.418 -20.955 -0.990 1.00 53.21 H new ATOM 0 HB3 ASP A 66 -5.078 -19.377 -0.307 1.00 53.21 H new ATOM 1095 N ASP A 67 -8.770 -18.478 -0.498 1.00 24.21 N ATOM 1096 CA ASP A 67 -9.696 -17.466 0.065 1.00 23.34 C ATOM 1097 C ASP A 67 -9.018 -16.551 1.105 1.00 24.21 C ATOM 1098 O ASP A 67 -9.274 -15.339 1.137 1.00 32.25 O ATOM 1099 CB ASP A 67 -10.927 -18.177 0.705 1.00 52.44 C ATOM 1100 CG ASP A 67 -11.885 -17.215 1.448 1.00 2.15 C ATOM 1101 OD1 ASP A 67 -12.778 -16.638 0.801 1.00 21.52 O ATOM 1102 OD2 ASP A 67 -11.743 -17.028 2.680 1.00 64.22 O ATOM 0 H ASP A 67 -9.144 -19.426 -0.455 1.00 24.21 H new ATOM 0 HA ASP A 67 -10.017 -16.829 -0.759 1.00 23.34 H new ATOM 0 HB2 ASP A 67 -11.482 -18.696 -0.076 1.00 52.44 H new ATOM 0 HB3 ASP A 67 -10.574 -18.936 1.404 1.00 52.44 H new ATOM 1107 N ASP A 68 -8.141 -17.149 1.931 1.00 41.03 N ATOM 1108 CA ASP A 68 -7.502 -16.457 3.064 1.00 30.12 C ATOM 1109 C ASP A 68 -6.430 -15.508 2.535 1.00 63.41 C ATOM 1110 O ASP A 68 -6.421 -14.338 2.897 1.00 1.20 O ATOM 1111 CB ASP A 68 -6.890 -17.457 4.085 1.00 71.30 C ATOM 1112 CG ASP A 68 -6.226 -16.745 5.286 1.00 74.03 C ATOM 1113 OD1 ASP A 68 -6.963 -16.317 6.202 1.00 44.21 O ATOM 1114 OD2 ASP A 68 -4.972 -16.619 5.322 1.00 34.31 O ATOM 0 H ASP A 68 -7.856 -18.123 1.832 1.00 41.03 H new ATOM 0 HA ASP A 68 -8.267 -15.890 3.594 1.00 30.12 H new ATOM 0 HB2 ASP A 68 -7.672 -18.124 4.449 1.00 71.30 H new ATOM 0 HB3 ASP A 68 -6.150 -18.079 3.581 1.00 71.30 H new ATOM 1119 N ALA A 69 -5.563 -16.027 1.643 1.00 64.03 N ATOM 1120 CA ALA A 69 -4.485 -15.240 1.005 1.00 34.23 C ATOM 1121 C ALA A 69 -5.043 -14.017 0.242 1.00 54.40 C ATOM 1122 O ALA A 69 -4.422 -12.948 0.218 1.00 43.20 O ATOM 1123 CB ALA A 69 -3.675 -16.135 0.056 1.00 43.13 C ATOM 0 H ALA A 69 -5.589 -17.002 1.344 1.00 64.03 H new ATOM 0 HA ALA A 69 -3.833 -14.865 1.794 1.00 34.23 H new ATOM 0 HB1 ALA A 69 -2.883 -15.548 -0.410 1.00 43.13 H new ATOM 0 HB2 ALA A 69 -3.234 -16.957 0.619 1.00 43.13 H new ATOM 0 HB3 ALA A 69 -4.332 -16.535 -0.716 1.00 43.13 H new ATOM 1129 N ARG A 70 -6.228 -14.211 -0.369 1.00 23.42 N ATOM 1130 CA ARG A 70 -6.973 -13.157 -1.082 1.00 61.02 C ATOM 1131 C ARG A 70 -7.473 -12.088 -0.092 1.00 74.51 C ATOM 1132 O ARG A 70 -7.239 -10.896 -0.288 1.00 40.34 O ATOM 1133 CB ARG A 70 -8.171 -13.792 -1.845 1.00 74.44 C ATOM 1134 CG ARG A 70 -9.100 -12.787 -2.564 1.00 72.31 C ATOM 1135 CD ARG A 70 -10.263 -13.480 -3.288 1.00 11.44 C ATOM 1136 NE ARG A 70 -11.096 -14.298 -2.382 1.00 1.53 N ATOM 1137 CZ ARG A 70 -12.209 -14.956 -2.759 1.00 33.00 C ATOM 1138 NH1 ARG A 70 -12.648 -14.900 -4.020 1.00 1.21 N ATOM 1139 NH2 ARG A 70 -12.883 -15.674 -1.876 1.00 73.20 N ATOM 0 H ARG A 70 -6.700 -15.115 -0.381 1.00 23.42 H new ATOM 0 HA ARG A 70 -6.309 -12.674 -1.798 1.00 61.02 H new ATOM 0 HB2 ARG A 70 -7.781 -14.493 -2.582 1.00 74.44 H new ATOM 0 HB3 ARG A 70 -8.766 -14.371 -1.138 1.00 74.44 H new ATOM 0 HG2 ARG A 70 -9.498 -12.080 -1.836 1.00 72.31 H new ATOM 0 HG3 ARG A 70 -8.519 -12.210 -3.284 1.00 72.31 H new ATOM 0 HD2 ARG A 70 -10.888 -12.726 -3.767 1.00 11.44 H new ATOM 0 HD3 ARG A 70 -9.865 -14.114 -4.080 1.00 11.44 H new ATOM 0 HE ARG A 70 -10.809 -14.369 -1.406 1.00 1.53 H new ATOM 0 HH11 ARG A 70 -12.138 -14.353 -4.714 1.00 1.21 H new ATOM 0 HH12 ARG A 70 -13.493 -15.404 -4.289 1.00 1.21 H new ATOM 0 HH21 ARG A 70 -12.560 -15.729 -0.910 1.00 73.20 H new ATOM 0 HH22 ARG A 70 -13.726 -16.173 -2.161 1.00 73.20 H new ATOM 1153 N LYS A 71 -8.134 -12.562 0.980 1.00 33.13 N ATOM 1154 CA LYS A 71 -8.764 -11.719 2.021 1.00 52.43 C ATOM 1155 C LYS A 71 -7.719 -10.841 2.742 1.00 25.23 C ATOM 1156 O LYS A 71 -7.950 -9.639 2.949 1.00 10.32 O ATOM 1157 CB LYS A 71 -9.524 -12.643 3.021 1.00 70.34 C ATOM 1158 CG LYS A 71 -10.119 -11.952 4.273 1.00 20.11 C ATOM 1159 CD LYS A 71 -10.988 -12.912 5.132 1.00 0.33 C ATOM 1160 CE LYS A 71 -10.247 -14.201 5.552 1.00 2.04 C ATOM 1161 NZ LYS A 71 -11.141 -15.133 6.307 1.00 55.13 N ATOM 0 H LYS A 71 -8.249 -13.561 1.153 1.00 33.13 H new ATOM 0 HA LYS A 71 -9.473 -11.035 1.554 1.00 52.43 H new ATOM 0 HB2 LYS A 71 -10.334 -13.136 2.484 1.00 70.34 H new ATOM 0 HB3 LYS A 71 -8.840 -13.424 3.353 1.00 70.34 H new ATOM 0 HG2 LYS A 71 -9.308 -11.557 4.885 1.00 20.11 H new ATOM 0 HG3 LYS A 71 -10.725 -11.102 3.960 1.00 20.11 H new ATOM 0 HD2 LYS A 71 -11.321 -12.386 6.026 1.00 0.33 H new ATOM 0 HD3 LYS A 71 -11.882 -13.182 4.569 1.00 0.33 H new ATOM 0 HE2 LYS A 71 -9.862 -14.705 4.665 1.00 2.04 H new ATOM 0 HE3 LYS A 71 -9.387 -13.942 6.170 1.00 2.04 H new ATOM 0 HZ1 LYS A 71 -10.609 -15.986 6.572 1.00 55.13 H new ATOM 0 HZ2 LYS A 71 -11.488 -14.661 7.166 1.00 55.13 H new ATOM 0 HZ3 LYS A 71 -11.948 -15.401 5.709 1.00 55.13 H new ATOM 1175 N LYS A 72 -6.563 -11.450 3.070 1.00 41.44 N ATOM 1176 CA LYS A 72 -5.474 -10.780 3.801 1.00 23.35 C ATOM 1177 C LYS A 72 -4.867 -9.657 2.950 1.00 33.15 C ATOM 1178 O LYS A 72 -4.835 -8.513 3.385 1.00 75.33 O ATOM 1179 CB LYS A 72 -4.365 -11.799 4.182 1.00 11.43 C ATOM 1180 CG LYS A 72 -4.787 -12.916 5.161 1.00 15.12 C ATOM 1181 CD LYS A 72 -5.165 -12.404 6.567 1.00 54.04 C ATOM 1182 CE LYS A 72 -5.505 -13.560 7.521 1.00 54.33 C ATOM 1183 NZ LYS A 72 -5.897 -13.074 8.871 1.00 32.11 N ATOM 0 H LYS A 72 -6.359 -12.421 2.835 1.00 41.44 H new ATOM 0 HA LYS A 72 -5.892 -10.352 4.712 1.00 23.35 H new ATOM 0 HB2 LYS A 72 -3.995 -12.264 3.268 1.00 11.43 H new ATOM 0 HB3 LYS A 72 -3.531 -11.252 4.622 1.00 11.43 H new ATOM 0 HG2 LYS A 72 -5.637 -13.453 4.740 1.00 15.12 H new ATOM 0 HG3 LYS A 72 -3.971 -13.633 5.253 1.00 15.12 H new ATOM 0 HD2 LYS A 72 -4.338 -11.825 6.978 1.00 54.04 H new ATOM 0 HD3 LYS A 72 -6.019 -11.731 6.492 1.00 54.04 H new ATOM 0 HE2 LYS A 72 -6.318 -14.151 7.099 1.00 54.33 H new ATOM 0 HE3 LYS A 72 -4.643 -14.221 7.610 1.00 54.33 H new ATOM 0 HZ1 LYS A 72 -6.118 -13.886 9.482 1.00 32.11 H new ATOM 0 HZ2 LYS A 72 -5.113 -12.532 9.286 1.00 32.11 H new ATOM 0 HZ3 LYS A 72 -6.735 -12.464 8.790 1.00 32.11 H new ATOM 1197 N ALA A 73 -4.457 -10.009 1.715 1.00 0.23 N ATOM 1198 CA ALA A 73 -3.744 -9.096 0.795 1.00 31.01 C ATOM 1199 C ALA A 73 -4.645 -7.939 0.318 1.00 55.20 C ATOM 1200 O ALA A 73 -4.162 -6.823 0.070 1.00 70.25 O ATOM 1201 CB ALA A 73 -3.207 -9.886 -0.407 1.00 54.53 C ATOM 0 H ALA A 73 -4.611 -10.939 1.325 1.00 0.23 H new ATOM 0 HA ALA A 73 -2.911 -8.653 1.341 1.00 31.01 H new ATOM 0 HB1 ALA A 73 -2.683 -9.210 -1.082 1.00 54.53 H new ATOM 0 HB2 ALA A 73 -2.519 -10.656 -0.058 1.00 54.53 H new ATOM 0 HB3 ALA A 73 -4.038 -10.354 -0.935 1.00 54.53 H new ATOM 1207 N LYS A 74 -5.956 -8.233 0.202 1.00 42.45 N ATOM 1208 CA LYS A 74 -6.974 -7.259 -0.229 1.00 21.12 C ATOM 1209 C LYS A 74 -7.127 -6.138 0.817 1.00 4.45 C ATOM 1210 O LYS A 74 -6.997 -4.951 0.492 1.00 23.21 O ATOM 1211 CB LYS A 74 -8.338 -7.963 -0.479 1.00 33.00 C ATOM 1212 CG LYS A 74 -9.462 -7.040 -1.010 1.00 22.21 C ATOM 1213 CD LYS A 74 -10.794 -7.791 -1.262 1.00 32.21 C ATOM 1214 CE LYS A 74 -11.375 -8.429 0.014 1.00 10.34 C ATOM 1215 NZ LYS A 74 -12.719 -9.030 -0.232 1.00 2.14 N ATOM 0 H LYS A 74 -6.338 -9.157 0.406 1.00 42.45 H new ATOM 0 HA LYS A 74 -6.644 -6.812 -1.167 1.00 21.12 H new ATOM 0 HB2 LYS A 74 -8.186 -8.773 -1.192 1.00 33.00 H new ATOM 0 HB3 LYS A 74 -8.672 -8.418 0.454 1.00 33.00 H new ATOM 0 HG2 LYS A 74 -9.634 -6.237 -0.293 1.00 22.21 H new ATOM 0 HG3 LYS A 74 -9.133 -6.573 -1.939 1.00 22.21 H new ATOM 0 HD2 LYS A 74 -11.523 -7.096 -1.679 1.00 32.21 H new ATOM 0 HD3 LYS A 74 -10.631 -8.568 -2.009 1.00 32.21 H new ATOM 0 HE2 LYS A 74 -10.694 -9.198 0.379 1.00 10.34 H new ATOM 0 HE3 LYS A 74 -11.452 -7.674 0.796 1.00 10.34 H new ATOM 0 HZ1 LYS A 74 -13.078 -9.450 0.649 1.00 2.14 H new ATOM 0 HZ2 LYS A 74 -13.375 -8.291 -0.556 1.00 2.14 H new ATOM 0 HZ3 LYS A 74 -12.641 -9.768 -0.960 1.00 2.14 H new ATOM 1229 N LYS A 75 -7.372 -6.538 2.083 1.00 41.21 N ATOM 1230 CA LYS A 75 -7.600 -5.587 3.192 1.00 35.24 C ATOM 1231 C LYS A 75 -6.283 -4.896 3.606 1.00 51.04 C ATOM 1232 O LYS A 75 -6.302 -3.748 4.047 1.00 54.22 O ATOM 1233 CB LYS A 75 -8.229 -6.297 4.424 1.00 5.34 C ATOM 1234 CG LYS A 75 -8.747 -5.314 5.509 1.00 4.23 C ATOM 1235 CD LYS A 75 -9.095 -5.993 6.852 1.00 33.43 C ATOM 1236 CE LYS A 75 -7.867 -6.618 7.522 1.00 4.42 C ATOM 1237 NZ LYS A 75 -8.182 -7.137 8.874 1.00 1.41 N ATOM 0 H LYS A 75 -7.417 -7.518 2.363 1.00 41.21 H new ATOM 0 HA LYS A 75 -8.298 -4.831 2.832 1.00 35.24 H new ATOM 0 HB2 LYS A 75 -9.055 -6.924 4.089 1.00 5.34 H new ATOM 0 HB3 LYS A 75 -7.487 -6.959 4.870 1.00 5.34 H new ATOM 0 HG2 LYS A 75 -7.990 -4.550 5.685 1.00 4.23 H new ATOM 0 HG3 LYS A 75 -9.633 -4.804 5.130 1.00 4.23 H new ATOM 0 HD2 LYS A 75 -9.538 -5.258 7.524 1.00 33.43 H new ATOM 0 HD3 LYS A 75 -9.846 -6.765 6.683 1.00 33.43 H new ATOM 0 HE2 LYS A 75 -7.487 -7.429 6.901 1.00 4.42 H new ATOM 0 HE3 LYS A 75 -7.074 -5.874 7.594 1.00 4.42 H new ATOM 0 HZ1 LYS A 75 -7.326 -7.552 9.295 1.00 1.41 H new ATOM 0 HZ2 LYS A 75 -8.520 -6.358 9.475 1.00 1.41 H new ATOM 0 HZ3 LYS A 75 -8.921 -7.865 8.803 1.00 1.41 H new ATOM 1251 N TRP A 76 -5.161 -5.628 3.445 1.00 64.23 N ATOM 1252 CA TRP A 76 -3.791 -5.159 3.766 1.00 11.12 C ATOM 1253 C TRP A 76 -3.498 -3.823 3.069 1.00 54.44 C ATOM 1254 O TRP A 76 -3.121 -2.847 3.715 1.00 73.14 O ATOM 1255 CB TRP A 76 -2.765 -6.240 3.316 1.00 12.13 C ATOM 1256 CG TRP A 76 -1.311 -5.891 3.540 1.00 15.05 C ATOM 1257 CD1 TRP A 76 -0.595 -6.057 4.689 1.00 50.10 C ATOM 1258 CD2 TRP A 76 -0.394 -5.320 2.579 1.00 32.12 C ATOM 1259 NE1 TRP A 76 0.689 -5.625 4.503 1.00 51.34 N ATOM 1260 CE2 TRP A 76 0.837 -5.164 3.230 1.00 34.33 C ATOM 1261 CE3 TRP A 76 -0.503 -4.916 1.244 1.00 0.40 C ATOM 1262 CZ2 TRP A 76 1.956 -4.637 2.602 1.00 24.40 C ATOM 1263 CZ3 TRP A 76 0.608 -4.389 0.613 1.00 52.42 C ATOM 1264 CH2 TRP A 76 1.826 -4.250 1.295 1.00 60.30 C ATOM 0 H TRP A 76 -5.179 -6.581 3.081 1.00 64.23 H new ATOM 0 HA TRP A 76 -3.708 -5.002 4.841 1.00 11.12 H new ATOM 0 HB2 TRP A 76 -2.984 -7.167 3.846 1.00 12.13 H new ATOM 0 HB3 TRP A 76 -2.914 -6.437 2.254 1.00 12.13 H new ATOM 0 HD1 TRP A 76 -0.984 -6.468 5.609 1.00 50.10 H new ATOM 0 HE1 TRP A 76 1.424 -5.645 5.210 1.00 51.34 H new ATOM 0 HE3 TRP A 76 -1.440 -5.014 0.715 1.00 0.40 H new ATOM 0 HZ2 TRP A 76 2.896 -4.536 3.125 1.00 24.40 H new ATOM 0 HZ3 TRP A 76 0.537 -4.080 -0.419 1.00 52.42 H new ATOM 0 HH2 TRP A 76 2.677 -3.830 0.780 1.00 60.30 H new ATOM 1275 N ALA A 77 -3.716 -3.820 1.743 1.00 13.40 N ATOM 1276 CA ALA A 77 -3.477 -2.663 0.865 1.00 63.13 C ATOM 1277 C ALA A 77 -4.289 -1.432 1.305 1.00 73.11 C ATOM 1278 O ALA A 77 -3.801 -0.301 1.259 1.00 21.05 O ATOM 1279 CB ALA A 77 -3.837 -3.046 -0.570 1.00 25.44 C ATOM 0 H ALA A 77 -4.069 -4.636 1.243 1.00 13.40 H new ATOM 0 HA ALA A 77 -2.423 -2.393 0.929 1.00 63.13 H new ATOM 0 HB1 ALA A 77 -3.663 -2.195 -1.228 1.00 25.44 H new ATOM 0 HB2 ALA A 77 -3.217 -3.884 -0.889 1.00 25.44 H new ATOM 0 HB3 ALA A 77 -4.888 -3.333 -0.617 1.00 25.44 H new ATOM 1285 N LEU A 78 -5.530 -1.697 1.739 1.00 35.22 N ATOM 1286 CA LEU A 78 -6.470 -0.666 2.207 1.00 72.51 C ATOM 1287 C LEU A 78 -5.982 -0.056 3.541 1.00 62.51 C ATOM 1288 O LEU A 78 -6.003 1.162 3.713 1.00 51.31 O ATOM 1289 CB LEU A 78 -7.883 -1.297 2.358 1.00 33.34 C ATOM 1290 CG LEU A 78 -8.468 -1.968 1.068 1.00 11.22 C ATOM 1291 CD1 LEU A 78 -9.763 -2.753 1.371 1.00 2.33 C ATOM 1292 CD2 LEU A 78 -8.686 -0.931 -0.052 1.00 74.22 C ATOM 0 H LEU A 78 -5.914 -2.641 1.776 1.00 35.22 H new ATOM 0 HA LEU A 78 -6.522 0.142 1.478 1.00 72.51 H new ATOM 0 HB2 LEU A 78 -7.844 -2.046 3.149 1.00 33.34 H new ATOM 0 HB3 LEU A 78 -8.574 -0.521 2.687 1.00 33.34 H new ATOM 0 HG LEU A 78 -7.731 -2.688 0.712 1.00 11.22 H new ATOM 0 HD11 LEU A 78 -10.139 -3.204 0.452 1.00 2.33 H new ATOM 0 HD12 LEU A 78 -9.552 -3.536 2.099 1.00 2.33 H new ATOM 0 HD13 LEU A 78 -10.514 -2.074 1.775 1.00 2.33 H new ATOM 0 HD21 LEU A 78 -9.092 -1.427 -0.933 1.00 74.22 H new ATOM 0 HD22 LEU A 78 -9.385 -0.168 0.290 1.00 74.22 H new ATOM 0 HD23 LEU A 78 -7.734 -0.464 -0.305 1.00 74.22 H new ATOM 1304 N GLU A 79 -5.502 -0.924 4.457 1.00 71.43 N ATOM 1305 CA GLU A 79 -4.983 -0.509 5.783 1.00 14.02 C ATOM 1306 C GLU A 79 -3.719 0.364 5.644 1.00 65.50 C ATOM 1307 O GLU A 79 -3.588 1.371 6.343 1.00 13.12 O ATOM 1308 CB GLU A 79 -4.674 -1.738 6.671 1.00 13.13 C ATOM 1309 CG GLU A 79 -5.894 -2.599 7.052 1.00 24.31 C ATOM 1310 CD GLU A 79 -5.501 -3.759 7.982 1.00 34.23 C ATOM 1311 OE1 GLU A 79 -5.003 -4.790 7.481 1.00 51.22 O ATOM 1312 OE2 GLU A 79 -5.648 -3.627 9.219 1.00 52.41 O ATOM 0 H GLU A 79 -5.462 -1.931 4.301 1.00 71.43 H new ATOM 0 HA GLU A 79 -5.763 0.083 6.261 1.00 14.02 H new ATOM 0 HB2 GLU A 79 -3.953 -2.369 6.151 1.00 13.13 H new ATOM 0 HB3 GLU A 79 -4.194 -1.393 7.586 1.00 13.13 H new ATOM 0 HG2 GLU A 79 -6.641 -1.975 7.543 1.00 24.31 H new ATOM 0 HG3 GLU A 79 -6.356 -2.997 6.148 1.00 24.31 H new ATOM 1319 N VAL A 80 -2.810 -0.043 4.731 1.00 63.04 N ATOM 1320 CA VAL A 80 -1.583 0.715 4.395 1.00 1.41 C ATOM 1321 C VAL A 80 -1.963 2.125 3.900 1.00 71.33 C ATOM 1322 O VAL A 80 -1.437 3.126 4.387 1.00 73.31 O ATOM 1323 CB VAL A 80 -0.722 -0.030 3.289 1.00 11.11 C ATOM 1324 CG1 VAL A 80 0.500 0.811 2.845 1.00 4.35 C ATOM 1325 CG2 VAL A 80 -0.272 -1.428 3.772 1.00 13.04 C ATOM 0 H VAL A 80 -2.907 -0.911 4.204 1.00 63.04 H new ATOM 0 HA VAL A 80 -0.976 0.791 5.297 1.00 1.41 H new ATOM 0 HB VAL A 80 -1.368 -0.160 2.421 1.00 11.11 H new ATOM 0 HG11 VAL A 80 1.062 0.265 2.088 1.00 4.35 H new ATOM 0 HG12 VAL A 80 0.158 1.759 2.430 1.00 4.35 H new ATOM 0 HG13 VAL A 80 1.142 1.002 3.705 1.00 4.35 H new ATOM 0 HG21 VAL A 80 0.315 -1.911 2.991 1.00 13.04 H new ATOM 0 HG22 VAL A 80 0.335 -1.324 4.671 1.00 13.04 H new ATOM 0 HG23 VAL A 80 -1.149 -2.036 3.995 1.00 13.04 H new ATOM 1335 N ALA A 81 -2.935 2.155 2.974 1.00 40.45 N ATOM 1336 CA ALA A 81 -3.431 3.376 2.319 1.00 44.13 C ATOM 1337 C ALA A 81 -3.933 4.427 3.337 1.00 3.23 C ATOM 1338 O ALA A 81 -3.517 5.595 3.303 1.00 65.22 O ATOM 1339 CB ALA A 81 -4.552 2.986 1.346 1.00 43.41 C ATOM 0 H ALA A 81 -3.409 1.311 2.653 1.00 40.45 H new ATOM 0 HA ALA A 81 -2.606 3.841 1.780 1.00 44.13 H new ATOM 0 HB1 ALA A 81 -4.932 3.880 0.851 1.00 43.41 H new ATOM 0 HB2 ALA A 81 -4.161 2.296 0.598 1.00 43.41 H new ATOM 0 HB3 ALA A 81 -5.361 2.505 1.896 1.00 43.41 H new ATOM 1345 N ASN A 82 -4.808 3.977 4.255 1.00 43.22 N ATOM 1346 CA ASN A 82 -5.413 4.839 5.293 1.00 32.10 C ATOM 1347 C ASN A 82 -4.393 5.223 6.387 1.00 25.13 C ATOM 1348 O ASN A 82 -4.529 6.282 7.015 1.00 71.20 O ATOM 1349 CB ASN A 82 -6.667 4.158 5.920 1.00 52.11 C ATOM 1350 CG ASN A 82 -7.836 4.024 4.931 1.00 14.24 C ATOM 1351 OD1 ASN A 82 -8.566 4.983 4.679 1.00 32.14 O ATOM 1352 ND2 ASN A 82 -8.066 2.834 4.410 1.00 45.33 N ATOM 0 H ASN A 82 -5.117 3.006 4.300 1.00 43.22 H new ATOM 0 HA ASN A 82 -5.730 5.761 4.805 1.00 32.10 H new ATOM 0 HB2 ASN A 82 -6.392 3.168 6.285 1.00 52.11 H new ATOM 0 HB3 ASN A 82 -6.994 4.737 6.784 1.00 52.11 H new ATOM 0 HD21 ASN A 82 -8.861 2.696 3.786 1.00 45.33 H new ATOM 0 HD22 ASN A 82 -7.449 2.052 4.631 1.00 45.33 H new ATOM 1359 N LYS A 83 -3.385 4.350 6.613 1.00 53.53 N ATOM 1360 CA LYS A 83 -2.307 4.579 7.613 1.00 15.01 C ATOM 1361 C LYS A 83 -1.499 5.841 7.215 1.00 51.12 C ATOM 1362 O LYS A 83 -1.303 6.752 8.026 1.00 54.51 O ATOM 1363 CB LYS A 83 -1.374 3.309 7.721 1.00 64.24 C ATOM 1364 CG LYS A 83 -0.758 3.030 9.125 1.00 33.13 C ATOM 1365 CD LYS A 83 0.170 4.151 9.655 1.00 63.23 C ATOM 1366 CE LYS A 83 0.695 3.864 11.073 1.00 2.21 C ATOM 1367 NZ LYS A 83 1.523 4.993 11.592 1.00 4.34 N ATOM 0 H LYS A 83 -3.292 3.467 6.110 1.00 53.53 H new ATOM 0 HA LYS A 83 -2.749 4.743 8.596 1.00 15.01 H new ATOM 0 HB2 LYS A 83 -1.949 2.434 7.418 1.00 64.24 H new ATOM 0 HB3 LYS A 83 -0.560 3.419 7.005 1.00 64.24 H new ATOM 0 HG2 LYS A 83 -1.567 2.878 9.839 1.00 33.13 H new ATOM 0 HG3 LYS A 83 -0.193 2.099 9.081 1.00 33.13 H new ATOM 0 HD2 LYS A 83 1.014 4.270 8.976 1.00 63.23 H new ATOM 0 HD3 LYS A 83 -0.373 5.096 9.657 1.00 63.23 H new ATOM 0 HE2 LYS A 83 -0.146 3.690 11.745 1.00 2.21 H new ATOM 0 HE3 LYS A 83 1.290 2.950 11.063 1.00 2.21 H new ATOM 0 HZ1 LYS A 83 1.902 4.744 12.528 1.00 4.34 H new ATOM 0 HZ2 LYS A 83 2.310 5.176 10.937 1.00 4.34 H new ATOM 0 HZ3 LYS A 83 0.935 5.847 11.673 1.00 4.34 H new ATOM 1381 N ILE A 84 -1.094 5.878 5.931 1.00 2.31 N ATOM 1382 CA ILE A 84 -0.318 6.991 5.333 1.00 74.24 C ATOM 1383 C ILE A 84 -1.162 8.290 5.337 1.00 24.32 C ATOM 1384 O ILE A 84 -0.664 9.369 5.681 1.00 3.24 O ATOM 1385 CB ILE A 84 0.118 6.625 3.856 1.00 50.00 C ATOM 1386 CG1 ILE A 84 0.848 5.241 3.814 1.00 33.42 C ATOM 1387 CG2 ILE A 84 1.008 7.730 3.233 1.00 5.04 C ATOM 1388 CD1 ILE A 84 1.033 4.663 2.419 1.00 42.13 C ATOM 0 H ILE A 84 -1.297 5.129 5.269 1.00 2.31 H new ATOM 0 HA ILE A 84 0.580 7.153 5.930 1.00 74.24 H new ATOM 0 HB ILE A 84 -0.790 6.554 3.258 1.00 50.00 H new ATOM 0 HG12 ILE A 84 1.827 5.347 4.281 1.00 33.42 H new ATOM 0 HG13 ILE A 84 0.283 4.529 4.416 1.00 33.42 H new ATOM 0 HG21 ILE A 84 1.288 7.443 2.219 1.00 5.04 H new ATOM 0 HG22 ILE A 84 0.456 8.669 3.205 1.00 5.04 H new ATOM 0 HG23 ILE A 84 1.908 7.855 3.836 1.00 5.04 H new ATOM 0 HD11 ILE A 84 1.547 3.704 2.488 1.00 42.13 H new ATOM 0 HD12 ILE A 84 0.058 4.519 1.952 1.00 42.13 H new ATOM 0 HD13 ILE A 84 1.626 5.351 1.816 1.00 42.13 H new ATOM 1400 N ALA A 85 -2.464 8.139 4.996 1.00 31.45 N ATOM 1401 CA ALA A 85 -3.447 9.247 4.979 1.00 71.24 C ATOM 1402 C ALA A 85 -3.641 9.872 6.383 1.00 3.34 C ATOM 1403 O ALA A 85 -3.894 11.075 6.507 1.00 3.44 O ATOM 1404 CB ALA A 85 -4.792 8.742 4.428 1.00 43.22 C ATOM 0 H ALA A 85 -2.863 7.241 4.724 1.00 31.45 H new ATOM 0 HA ALA A 85 -3.057 10.029 4.328 1.00 71.24 H new ATOM 0 HB1 ALA A 85 -5.511 9.561 4.418 1.00 43.22 H new ATOM 0 HB2 ALA A 85 -4.652 8.369 3.413 1.00 43.22 H new ATOM 0 HB3 ALA A 85 -5.166 7.938 5.062 1.00 43.22 H new ATOM 1410 N ASN A 86 -3.496 9.029 7.425 1.00 65.31 N ATOM 1411 CA ASN A 86 -3.651 9.433 8.844 1.00 30.24 C ATOM 1412 C ASN A 86 -2.470 10.302 9.272 1.00 30.43 C ATOM 1413 O ASN A 86 -2.651 11.328 9.931 1.00 71.15 O ATOM 1414 CB ASN A 86 -3.748 8.178 9.765 1.00 72.41 C ATOM 1415 CG ASN A 86 -3.756 8.509 11.271 1.00 44.44 C ATOM 1416 OD1 ASN A 86 -4.809 8.743 11.867 1.00 40.41 O ATOM 1417 ND2 ASN A 86 -2.583 8.512 11.903 1.00 30.14 N ATOM 0 H ASN A 86 -3.267 8.042 7.309 1.00 65.31 H new ATOM 0 HA ASN A 86 -4.572 10.007 8.941 1.00 30.24 H new ATOM 0 HB2 ASN A 86 -4.656 7.628 9.519 1.00 72.41 H new ATOM 0 HB3 ASN A 86 -2.908 7.517 9.552 1.00 72.41 H new ATOM 0 HD21 ASN A 86 -2.543 8.711 12.903 1.00 30.14 H new ATOM 0 HD22 ASN A 86 -1.725 8.315 11.387 1.00 30.14 H new ATOM 1424 N GLU A 87 -1.268 9.864 8.876 1.00 63.43 N ATOM 1425 CA GLU A 87 0.001 10.502 9.253 1.00 14.43 C ATOM 1426 C GLU A 87 0.124 11.925 8.686 1.00 50.42 C ATOM 1427 O GLU A 87 0.533 12.856 9.385 1.00 33.02 O ATOM 1428 CB GLU A 87 1.192 9.640 8.753 1.00 12.41 C ATOM 1429 CG GLU A 87 1.279 8.231 9.372 1.00 64.33 C ATOM 1430 CD GLU A 87 1.317 8.248 10.911 1.00 62.40 C ATOM 1431 OE1 GLU A 87 2.312 8.752 11.483 1.00 12.03 O ATOM 1432 OE2 GLU A 87 0.368 7.745 11.556 1.00 54.43 O ATOM 0 H GLU A 87 -1.147 9.047 8.278 1.00 63.43 H new ATOM 0 HA GLU A 87 0.020 10.575 10.340 1.00 14.43 H new ATOM 0 HB2 GLU A 87 1.120 9.541 7.670 1.00 12.41 H new ATOM 0 HB3 GLU A 87 2.120 10.171 8.964 1.00 12.41 H new ATOM 0 HG2 GLU A 87 0.423 7.642 9.042 1.00 64.33 H new ATOM 0 HG3 GLU A 87 2.172 7.731 8.998 1.00 64.33 H new ATOM 1439 N LEU A 88 -0.248 12.072 7.413 1.00 32.12 N ATOM 1440 CA LEU A 88 0.046 13.282 6.622 1.00 14.42 C ATOM 1441 C LEU A 88 -1.150 14.249 6.576 1.00 14.23 C ATOM 1442 O LEU A 88 -0.989 15.416 6.184 1.00 52.13 O ATOM 1443 CB LEU A 88 0.477 12.829 5.202 1.00 1.24 C ATOM 1444 CG LEU A 88 1.598 11.738 5.181 1.00 42.35 C ATOM 1445 CD1 LEU A 88 1.892 11.267 3.760 1.00 35.34 C ATOM 1446 CD2 LEU A 88 2.882 12.211 5.895 1.00 22.12 C ATOM 0 H LEU A 88 -0.762 11.359 6.896 1.00 32.12 H new ATOM 0 HA LEU A 88 0.854 13.841 7.095 1.00 14.42 H new ATOM 0 HB2 LEU A 88 -0.397 12.444 4.676 1.00 1.24 H new ATOM 0 HB3 LEU A 88 0.825 13.700 4.647 1.00 1.24 H new ATOM 0 HG LEU A 88 1.219 10.883 5.741 1.00 42.35 H new ATOM 0 HD11 LEU A 88 2.675 10.509 3.783 1.00 35.34 H new ATOM 0 HD12 LEU A 88 0.988 10.842 3.323 1.00 35.34 H new ATOM 0 HD13 LEU A 88 2.223 12.113 3.157 1.00 35.34 H new ATOM 0 HD21 LEU A 88 3.632 11.421 5.855 1.00 22.12 H new ATOM 0 HD22 LEU A 88 3.267 13.102 5.399 1.00 22.12 H new ATOM 0 HD23 LEU A 88 2.655 12.444 6.935 1.00 22.12 H new ATOM 1458 N GLY A 89 -2.332 13.764 7.003 1.00 41.43 N ATOM 1459 CA GLY A 89 -3.567 14.541 6.919 1.00 70.21 C ATOM 1460 C GLY A 89 -3.987 14.695 5.474 1.00 54.53 C ATOM 1461 O GLY A 89 -3.925 15.789 4.904 1.00 24.24 O ATOM 0 H GLY A 89 -2.449 12.836 7.409 1.00 41.43 H new ATOM 0 HA2 GLY A 89 -4.356 14.046 7.484 1.00 70.21 H new ATOM 0 HA3 GLY A 89 -3.420 15.523 7.370 1.00 70.21 H new ATOM 1465 N ALA A 90 -4.373 13.563 4.879 1.00 71.53 N ATOM 1466 CA ALA A 90 -4.602 13.432 3.436 1.00 72.54 C ATOM 1467 C ALA A 90 -5.958 12.764 3.156 1.00 12.22 C ATOM 1468 O ALA A 90 -6.754 12.561 4.078 1.00 13.00 O ATOM 1469 CB ALA A 90 -3.434 12.645 2.836 1.00 42.41 C ATOM 0 H ALA A 90 -4.538 12.698 5.394 1.00 71.53 H new ATOM 0 HA ALA A 90 -4.644 14.415 2.967 1.00 72.54 H new ATOM 0 HB1 ALA A 90 -3.583 12.535 1.762 1.00 42.41 H new ATOM 0 HB2 ALA A 90 -2.502 13.180 3.020 1.00 42.41 H new ATOM 0 HB3 ALA A 90 -3.384 11.659 3.298 1.00 42.41 H new ATOM 1475 N LYS A 91 -6.216 12.424 1.878 1.00 2.25 N ATOM 1476 CA LYS A 91 -7.540 11.943 1.415 1.00 41.24 C ATOM 1477 C LYS A 91 -7.618 10.397 1.418 1.00 51.45 C ATOM 1478 O LYS A 91 -6.751 9.728 1.983 1.00 62.43 O ATOM 1479 CB LYS A 91 -7.833 12.529 0.003 1.00 44.05 C ATOM 1480 CG LYS A 91 -7.680 14.065 -0.100 1.00 3.20 C ATOM 1481 CD LYS A 91 -8.560 14.858 0.897 1.00 15.33 C ATOM 1482 CE LYS A 91 -10.070 14.644 0.677 1.00 21.54 C ATOM 1483 NZ LYS A 91 -10.891 15.527 1.553 1.00 5.22 N ATOM 0 H LYS A 91 -5.517 12.474 1.137 1.00 2.25 H new ATOM 0 HA LYS A 91 -8.305 12.291 2.109 1.00 41.24 H new ATOM 0 HB2 LYS A 91 -7.162 12.061 -0.717 1.00 44.05 H new ATOM 0 HB3 LYS A 91 -8.849 12.258 -0.285 1.00 44.05 H new ATOM 0 HG2 LYS A 91 -6.635 14.327 0.067 1.00 3.20 H new ATOM 0 HG3 LYS A 91 -7.929 14.377 -1.114 1.00 3.20 H new ATOM 0 HD2 LYS A 91 -8.302 14.562 1.914 1.00 15.33 H new ATOM 0 HD3 LYS A 91 -8.333 15.920 0.807 1.00 15.33 H new ATOM 0 HE2 LYS A 91 -10.316 14.839 -0.367 1.00 21.54 H new ATOM 0 HE3 LYS A 91 -10.321 13.602 0.875 1.00 21.54 H new ATOM 0 HZ1 LYS A 91 -11.900 15.352 1.374 1.00 5.22 H new ATOM 0 HZ2 LYS A 91 -10.676 15.324 2.550 1.00 5.22 H new ATOM 0 HZ3 LYS A 91 -10.670 16.522 1.347 1.00 5.22 H new ATOM 1497 N GLN A 92 -8.691 9.847 0.819 1.00 75.24 N ATOM 1498 CA GLN A 92 -8.928 8.387 0.744 1.00 25.11 C ATOM 1499 C GLN A 92 -8.356 7.791 -0.560 1.00 4.32 C ATOM 1500 O GLN A 92 -7.703 8.485 -1.350 1.00 25.03 O ATOM 1501 CB GLN A 92 -10.454 8.087 0.882 1.00 22.30 C ATOM 1502 CG GLN A 92 -11.080 8.560 2.213 1.00 73.23 C ATOM 1503 CD GLN A 92 -10.485 7.865 3.442 1.00 52.21 C ATOM 1504 OE1 GLN A 92 -10.974 6.827 3.885 1.00 63.40 O ATOM 1505 NE2 GLN A 92 -9.423 8.429 4.001 1.00 43.43 N ATOM 0 H GLN A 92 -9.421 10.401 0.372 1.00 75.24 H new ATOM 0 HA GLN A 92 -8.404 7.909 1.572 1.00 25.11 H new ATOM 0 HB2 GLN A 92 -10.982 8.565 0.056 1.00 22.30 H new ATOM 0 HB3 GLN A 92 -10.611 7.013 0.782 1.00 22.30 H new ATOM 0 HG2 GLN A 92 -10.941 9.637 2.310 1.00 73.23 H new ATOM 0 HG3 GLN A 92 -12.154 8.379 2.186 1.00 73.23 H new ATOM 0 HE21 GLN A 92 -9.039 9.290 3.612 1.00 43.43 H new ATOM 0 HE22 GLN A 92 -8.990 8.002 4.820 1.00 43.43 H new ATOM 1514 N SER A 93 -8.600 6.490 -0.762 1.00 2.22 N ATOM 1515 CA SER A 93 -8.045 5.718 -1.880 1.00 74.55 C ATOM 1516 C SER A 93 -9.168 5.217 -2.792 1.00 34.42 C ATOM 1517 O SER A 93 -10.231 4.820 -2.301 1.00 55.32 O ATOM 1518 CB SER A 93 -7.263 4.519 -1.305 1.00 30.34 C ATOM 1519 OG SER A 93 -6.381 4.942 -0.288 1.00 63.35 O ATOM 0 H SER A 93 -9.196 5.937 -0.146 1.00 2.22 H new ATOM 0 HA SER A 93 -7.383 6.351 -2.470 1.00 74.55 H new ATOM 0 HB2 SER A 93 -7.959 3.781 -0.906 1.00 30.34 H new ATOM 0 HB3 SER A 93 -6.701 4.029 -2.100 1.00 30.34 H new ATOM 0 HG SER A 93 -6.781 4.762 0.588 1.00 63.35 H new ATOM 1525 N THR A 94 -8.922 5.216 -4.110 1.00 3.44 N ATOM 1526 CA THR A 94 -9.827 4.597 -5.084 1.00 71.02 C ATOM 1527 C THR A 94 -9.342 3.156 -5.343 1.00 41.34 C ATOM 1528 O THR A 94 -8.237 2.921 -5.844 1.00 3.43 O ATOM 1529 CB THR A 94 -9.935 5.439 -6.416 1.00 53.14 C ATOM 1530 OG1 THR A 94 -10.759 4.754 -7.373 1.00 71.24 O ATOM 1531 CG2 THR A 94 -8.570 5.773 -7.062 1.00 2.24 C ATOM 0 H THR A 94 -8.094 5.642 -4.527 1.00 3.44 H new ATOM 0 HA THR A 94 -10.838 4.573 -4.677 1.00 71.02 H new ATOM 0 HB THR A 94 -10.386 6.389 -6.128 1.00 53.14 H new ATOM 0 HG1 THR A 94 -10.819 5.287 -8.193 1.00 71.24 H new ATOM 0 HG21 THR A 94 -8.730 6.352 -7.971 1.00 2.24 H new ATOM 0 HG22 THR A 94 -7.969 6.354 -6.363 1.00 2.24 H new ATOM 0 HG23 THR A 94 -8.048 4.848 -7.308 1.00 2.24 H new ATOM 1539 N THR A 95 -10.179 2.190 -4.956 1.00 10.22 N ATOM 1540 CA THR A 95 -9.852 0.759 -5.007 1.00 22.41 C ATOM 1541 C THR A 95 -10.627 0.080 -6.143 1.00 2.12 C ATOM 1542 O THR A 95 -11.814 0.364 -6.357 1.00 63.52 O ATOM 1543 CB THR A 95 -10.161 0.056 -3.628 1.00 43.21 C ATOM 1544 OG1 THR A 95 -9.997 -1.375 -3.729 1.00 13.12 O ATOM 1545 CG2 THR A 95 -11.571 0.386 -3.088 1.00 13.54 C ATOM 0 H THR A 95 -11.114 2.380 -4.594 1.00 10.22 H new ATOM 0 HA THR A 95 -8.784 0.659 -5.201 1.00 22.41 H new ATOM 0 HB THR A 95 -9.438 0.454 -2.916 1.00 43.21 H new ATOM 0 HG1 THR A 95 -10.192 -1.789 -2.862 1.00 13.12 H new ATOM 0 HG21 THR A 95 -11.726 -0.126 -2.138 1.00 13.54 H new ATOM 0 HG22 THR A 95 -11.661 1.462 -2.940 1.00 13.54 H new ATOM 0 HG23 THR A 95 -12.322 0.055 -3.805 1.00 13.54 H new ATOM 1553 N THR A 96 -9.935 -0.787 -6.896 1.00 42.11 N ATOM 1554 CA THR A 96 -10.556 -1.698 -7.856 1.00 62.42 C ATOM 1555 C THR A 96 -10.017 -3.118 -7.590 1.00 53.33 C ATOM 1556 O THR A 96 -8.840 -3.410 -7.848 1.00 63.21 O ATOM 1557 CB THR A 96 -10.274 -1.252 -9.341 1.00 41.25 C ATOM 1558 OG1 THR A 96 -8.878 -0.978 -9.520 1.00 42.21 O ATOM 1559 CG2 THR A 96 -11.082 -0.009 -9.752 1.00 74.52 C ATOM 0 H THR A 96 -8.920 -0.873 -6.852 1.00 42.11 H new ATOM 0 HA THR A 96 -11.638 -1.681 -7.728 1.00 62.42 H new ATOM 0 HB THR A 96 -10.586 -2.080 -9.977 1.00 41.25 H new ATOM 0 HG1 THR A 96 -8.405 -1.123 -8.674 1.00 42.21 H new ATOM 0 HG21 THR A 96 -10.848 0.252 -10.784 1.00 74.52 H new ATOM 0 HG22 THR A 96 -12.147 -0.222 -9.665 1.00 74.52 H new ATOM 0 HG23 THR A 96 -10.824 0.825 -9.099 1.00 74.52 H new ATOM 1567 N THR A 97 -10.883 -3.991 -7.044 1.00 24.21 N ATOM 1568 CA THR A 97 -10.558 -5.395 -6.763 1.00 21.34 C ATOM 1569 C THR A 97 -11.324 -6.280 -7.766 1.00 64.33 C ATOM 1570 O THR A 97 -12.557 -6.201 -7.878 1.00 24.45 O ATOM 1571 CB THR A 97 -10.868 -5.773 -5.259 1.00 24.22 C ATOM 1572 OG1 THR A 97 -10.443 -7.115 -4.974 1.00 13.14 O ATOM 1573 CG2 THR A 97 -12.352 -5.619 -4.874 1.00 12.24 C ATOM 0 H THR A 97 -11.836 -3.736 -6.784 1.00 24.21 H new ATOM 0 HA THR A 97 -9.488 -5.562 -6.890 1.00 21.34 H new ATOM 0 HB THR A 97 -10.304 -5.060 -4.657 1.00 24.22 H new ATOM 0 HG1 THR A 97 -9.510 -7.106 -4.673 1.00 13.14 H new ATOM 0 HG21 THR A 97 -12.487 -5.896 -3.829 1.00 12.24 H new ATOM 0 HG22 THR A 97 -12.660 -4.583 -5.018 1.00 12.24 H new ATOM 0 HG23 THR A 97 -12.960 -6.269 -5.503 1.00 12.24 H new ATOM 1581 N ASP A 98 -10.578 -7.067 -8.545 1.00 32.24 N ATOM 1582 CA ASP A 98 -11.139 -7.901 -9.619 1.00 42.31 C ATOM 1583 C ASP A 98 -10.281 -9.153 -9.787 1.00 32.43 C ATOM 1584 O ASP A 98 -9.079 -9.109 -9.509 1.00 32.03 O ATOM 1585 CB ASP A 98 -11.189 -7.090 -10.939 1.00 64.11 C ATOM 1586 CG ASP A 98 -11.898 -7.838 -12.089 1.00 64.14 C ATOM 1587 OD1 ASP A 98 -13.143 -7.829 -12.136 1.00 52.53 O ATOM 1588 OD2 ASP A 98 -11.214 -8.456 -12.930 1.00 35.00 O ATOM 0 H ASP A 98 -9.565 -7.146 -8.451 1.00 32.24 H new ATOM 0 HA ASP A 98 -12.154 -8.202 -9.361 1.00 42.31 H new ATOM 0 HB2 ASP A 98 -11.703 -6.146 -10.758 1.00 64.11 H new ATOM 0 HB3 ASP A 98 -10.172 -6.846 -11.246 1.00 64.11 H new ATOM 1593 N GLY A 99 -10.908 -10.246 -10.270 1.00 34.20 N ATOM 1594 CA GLY A 99 -10.247 -11.551 -10.425 1.00 44.14 C ATOM 1595 C GLY A 99 -9.014 -11.525 -11.331 1.00 14.13 C ATOM 1596 O GLY A 99 -8.092 -12.327 -11.149 1.00 51.44 O ATOM 0 H GLY A 99 -11.885 -10.245 -10.562 1.00 34.20 H new ATOM 0 HA2 GLY A 99 -9.953 -11.916 -9.441 1.00 44.14 H new ATOM 0 HA3 GLY A 99 -10.966 -12.264 -10.828 1.00 44.14 H new ATOM 1600 N ASP A 100 -9.005 -10.580 -12.286 1.00 23.54 N ATOM 1601 CA ASP A 100 -7.908 -10.388 -13.258 1.00 2.21 C ATOM 1602 C ASP A 100 -6.628 -9.928 -12.518 1.00 1.50 C ATOM 1603 O ASP A 100 -5.637 -10.659 -12.459 1.00 0.14 O ATOM 1604 CB ASP A 100 -8.353 -9.346 -14.335 1.00 52.30 C ATOM 1605 CG ASP A 100 -7.342 -9.136 -15.479 1.00 50.44 C ATOM 1606 OD1 ASP A 100 -6.335 -8.429 -15.285 1.00 51.13 O ATOM 1607 OD2 ASP A 100 -7.552 -9.681 -16.585 1.00 44.11 O ATOM 0 H ASP A 100 -9.770 -9.916 -12.409 1.00 23.54 H new ATOM 0 HA ASP A 100 -7.682 -11.328 -13.761 1.00 2.21 H new ATOM 0 HB2 ASP A 100 -9.303 -9.667 -14.762 1.00 52.30 H new ATOM 0 HB3 ASP A 100 -8.531 -8.389 -13.844 1.00 52.30 H new ATOM 1612 N THR A 101 -6.690 -8.713 -11.930 1.00 11.04 N ATOM 1613 CA THR A 101 -5.569 -8.077 -11.192 1.00 52.02 C ATOM 1614 C THR A 101 -6.134 -7.234 -10.024 1.00 12.45 C ATOM 1615 O THR A 101 -7.255 -6.719 -10.109 1.00 70.03 O ATOM 1616 CB THR A 101 -4.688 -7.173 -12.135 1.00 1.33 C ATOM 1617 OG1 THR A 101 -4.186 -7.961 -13.224 1.00 41.32 O ATOM 1618 CG2 THR A 101 -3.486 -6.527 -11.407 1.00 13.11 C ATOM 0 H THR A 101 -7.531 -8.136 -11.953 1.00 11.04 H new ATOM 0 HA THR A 101 -4.927 -8.867 -10.802 1.00 52.02 H new ATOM 0 HB THR A 101 -5.335 -6.370 -12.488 1.00 1.33 H new ATOM 0 HG1 THR A 101 -4.899 -8.103 -13.881 1.00 41.32 H new ATOM 0 HG21 THR A 101 -2.919 -5.917 -12.111 1.00 13.11 H new ATOM 0 HG22 THR A 101 -3.848 -5.899 -10.593 1.00 13.11 H new ATOM 0 HG23 THR A 101 -2.842 -7.309 -11.004 1.00 13.11 H new ATOM 1626 N PHE A 102 -5.363 -7.137 -8.924 1.00 31.34 N ATOM 1627 CA PHE A 102 -5.723 -6.324 -7.749 1.00 12.30 C ATOM 1628 C PHE A 102 -4.914 -5.010 -7.768 1.00 72.55 C ATOM 1629 O PHE A 102 -3.678 -5.047 -7.760 1.00 3.21 O ATOM 1630 CB PHE A 102 -5.449 -7.126 -6.448 1.00 11.50 C ATOM 1631 CG PHE A 102 -5.816 -6.369 -5.175 1.00 74.23 C ATOM 1632 CD1 PHE A 102 -7.150 -6.113 -4.871 1.00 54.21 C ATOM 1633 CD2 PHE A 102 -4.836 -5.884 -4.305 1.00 23.23 C ATOM 1634 CE1 PHE A 102 -7.495 -5.408 -3.736 1.00 34.55 C ATOM 1635 CE2 PHE A 102 -5.184 -5.179 -3.174 1.00 14.04 C ATOM 1636 CZ PHE A 102 -6.512 -4.939 -2.890 1.00 54.13 C ATOM 0 H PHE A 102 -4.471 -7.622 -8.826 1.00 31.34 H new ATOM 0 HA PHE A 102 -6.785 -6.080 -7.781 1.00 12.30 H new ATOM 0 HB2 PHE A 102 -6.012 -8.059 -6.481 1.00 11.50 H new ATOM 0 HB3 PHE A 102 -4.393 -7.392 -6.411 1.00 11.50 H new ATOM 0 HD1 PHE A 102 -7.925 -6.471 -5.532 1.00 54.21 H new ATOM 0 HD2 PHE A 102 -3.793 -6.064 -4.522 1.00 23.23 H new ATOM 0 HE1 PHE A 102 -8.535 -5.224 -3.510 1.00 34.55 H new ATOM 0 HE2 PHE A 102 -4.416 -4.814 -2.509 1.00 14.04 H new ATOM 0 HZ PHE A 102 -6.782 -4.383 -2.004 1.00 54.13 H new ATOM 1646 N GLU A 103 -5.616 -3.859 -7.815 1.00 12.34 N ATOM 1647 CA GLU A 103 -4.983 -2.522 -7.845 1.00 24.33 C ATOM 1648 C GLU A 103 -5.814 -1.476 -7.046 1.00 42.42 C ATOM 1649 O GLU A 103 -6.992 -1.248 -7.334 1.00 52.13 O ATOM 1650 CB GLU A 103 -4.748 -2.082 -9.324 1.00 72.41 C ATOM 1651 CG GLU A 103 -5.990 -2.192 -10.232 1.00 35.12 C ATOM 1652 CD GLU A 103 -5.737 -1.725 -11.674 1.00 55.01 C ATOM 1653 OE1 GLU A 103 -5.547 -0.509 -11.887 1.00 21.53 O ATOM 1654 OE2 GLU A 103 -5.716 -2.562 -12.602 1.00 41.40 O ATOM 0 H GLU A 103 -6.635 -3.829 -7.833 1.00 12.34 H new ATOM 0 HA GLU A 103 -4.014 -2.582 -7.350 1.00 24.33 H new ATOM 0 HB2 GLU A 103 -4.400 -1.049 -9.331 1.00 72.41 H new ATOM 0 HB3 GLU A 103 -3.949 -2.691 -9.748 1.00 72.41 H new ATOM 0 HG2 GLU A 103 -6.328 -3.228 -10.248 1.00 35.12 H new ATOM 0 HG3 GLU A 103 -6.798 -1.599 -9.803 1.00 35.12 H new ATOM 1661 N VAL A 104 -5.189 -0.877 -6.012 1.00 72.12 N ATOM 1662 CA VAL A 104 -5.756 0.234 -5.213 1.00 31.11 C ATOM 1663 C VAL A 104 -4.864 1.485 -5.380 1.00 51.33 C ATOM 1664 O VAL A 104 -3.742 1.502 -4.878 1.00 51.22 O ATOM 1665 CB VAL A 104 -5.826 -0.140 -3.675 1.00 71.12 C ATOM 1666 CG1 VAL A 104 -6.416 1.016 -2.828 1.00 54.13 C ATOM 1667 CG2 VAL A 104 -6.601 -1.457 -3.449 1.00 64.53 C ATOM 0 H VAL A 104 -4.258 -1.156 -5.701 1.00 72.12 H new ATOM 0 HA VAL A 104 -6.767 0.429 -5.570 1.00 31.11 H new ATOM 0 HB VAL A 104 -4.802 -0.298 -3.336 1.00 71.12 H new ATOM 0 HG11 VAL A 104 -6.447 0.720 -1.779 1.00 54.13 H new ATOM 0 HG12 VAL A 104 -5.791 1.902 -2.936 1.00 54.13 H new ATOM 0 HG13 VAL A 104 -7.426 1.240 -3.172 1.00 54.13 H new ATOM 0 HG21 VAL A 104 -6.630 -1.684 -2.383 1.00 64.53 H new ATOM 0 HG22 VAL A 104 -7.618 -1.350 -3.825 1.00 64.53 H new ATOM 0 HG23 VAL A 104 -6.102 -2.268 -3.979 1.00 64.53 H new ATOM 1677 N GLU A 105 -5.348 2.539 -6.062 1.00 40.43 N ATOM 1678 CA GLU A 105 -4.588 3.799 -6.188 1.00 55.45 C ATOM 1679 C GLU A 105 -5.011 4.746 -5.065 1.00 71.34 C ATOM 1680 O GLU A 105 -6.192 5.054 -4.900 1.00 25.43 O ATOM 1681 CB GLU A 105 -4.780 4.474 -7.576 1.00 63.40 C ATOM 1682 CG GLU A 105 -4.159 3.689 -8.753 1.00 21.33 C ATOM 1683 CD GLU A 105 -4.030 4.523 -10.041 1.00 24.44 C ATOM 1684 OE1 GLU A 105 -3.062 5.304 -10.160 1.00 12.02 O ATOM 1685 OE2 GLU A 105 -4.877 4.387 -10.950 1.00 13.41 O ATOM 0 H GLU A 105 -6.254 2.545 -6.531 1.00 40.43 H new ATOM 0 HA GLU A 105 -3.526 3.567 -6.104 1.00 55.45 H new ATOM 0 HB2 GLU A 105 -5.847 4.601 -7.761 1.00 63.40 H new ATOM 0 HB3 GLU A 105 -4.340 5.471 -7.547 1.00 63.40 H new ATOM 0 HG2 GLU A 105 -3.172 3.330 -8.461 1.00 21.33 H new ATOM 0 HG3 GLU A 105 -4.770 2.810 -8.957 1.00 21.33 H new ATOM 1692 N VAL A 106 -4.024 5.188 -4.289 1.00 31.12 N ATOM 1693 CA VAL A 106 -4.226 6.018 -3.108 1.00 22.21 C ATOM 1694 C VAL A 106 -3.987 7.477 -3.505 1.00 53.42 C ATOM 1695 O VAL A 106 -2.840 7.888 -3.714 1.00 44.01 O ATOM 1696 CB VAL A 106 -3.228 5.574 -1.971 1.00 33.05 C ATOM 1697 CG1 VAL A 106 -3.501 6.296 -0.636 1.00 5.04 C ATOM 1698 CG2 VAL A 106 -3.237 4.036 -1.804 1.00 43.52 C ATOM 0 H VAL A 106 -3.043 4.974 -4.469 1.00 31.12 H new ATOM 0 HA VAL A 106 -5.241 5.906 -2.727 1.00 22.21 H new ATOM 0 HB VAL A 106 -2.227 5.874 -2.281 1.00 33.05 H new ATOM 0 HG11 VAL A 106 -2.787 5.956 0.114 1.00 5.04 H new ATOM 0 HG12 VAL A 106 -3.395 7.372 -0.776 1.00 5.04 H new ATOM 0 HG13 VAL A 106 -4.514 6.072 -0.301 1.00 5.04 H new ATOM 0 HG21 VAL A 106 -2.541 3.752 -1.014 1.00 43.52 H new ATOM 0 HG22 VAL A 106 -4.241 3.705 -1.540 1.00 43.52 H new ATOM 0 HG23 VAL A 106 -2.935 3.567 -2.740 1.00 43.52 H new ATOM 1708 N ILE A 107 -5.073 8.256 -3.628 1.00 14.04 N ATOM 1709 CA ILE A 107 -4.994 9.659 -4.050 1.00 45.21 C ATOM 1710 C ILE A 107 -5.007 10.543 -2.805 1.00 62.42 C ATOM 1711 O ILE A 107 -6.061 10.816 -2.222 1.00 3.51 O ATOM 1712 CB ILE A 107 -6.164 10.043 -5.040 1.00 1.13 C ATOM 1713 CG1 ILE A 107 -6.168 9.100 -6.290 1.00 62.44 C ATOM 1714 CG2 ILE A 107 -6.075 11.531 -5.471 1.00 43.14 C ATOM 1715 CD1 ILE A 107 -4.891 9.128 -7.125 1.00 34.14 C ATOM 0 H ILE A 107 -6.022 7.933 -3.439 1.00 14.04 H new ATOM 0 HA ILE A 107 -4.066 9.814 -4.601 1.00 45.21 H new ATOM 0 HB ILE A 107 -7.106 9.908 -4.508 1.00 1.13 H new ATOM 0 HG12 ILE A 107 -6.342 8.078 -5.954 1.00 62.44 H new ATOM 0 HG13 ILE A 107 -7.008 9.373 -6.929 1.00 62.44 H new ATOM 0 HG21 ILE A 107 -6.894 11.762 -6.152 1.00 43.14 H new ATOM 0 HG22 ILE A 107 -6.144 12.170 -4.590 1.00 43.14 H new ATOM 0 HG23 ILE A 107 -5.124 11.708 -5.974 1.00 43.14 H new ATOM 0 HD11 ILE A 107 -4.992 8.443 -7.967 1.00 34.14 H new ATOM 0 HD12 ILE A 107 -4.722 10.138 -7.498 1.00 34.14 H new ATOM 0 HD13 ILE A 107 -4.046 8.823 -6.508 1.00 34.14 H new ATOM 1727 N LEU A 108 -3.812 10.957 -2.383 1.00 71.54 N ATOM 1728 CA LEU A 108 -3.629 11.809 -1.212 1.00 0.00 C ATOM 1729 C LEU A 108 -3.407 13.241 -1.691 1.00 52.13 C ATOM 1730 O LEU A 108 -2.311 13.585 -2.101 1.00 13.43 O ATOM 1731 CB LEU A 108 -2.409 11.306 -0.389 1.00 3.14 C ATOM 1732 CG LEU A 108 -2.474 9.831 0.102 1.00 23.52 C ATOM 1733 CD1 LEU A 108 -1.212 9.451 0.894 1.00 43.25 C ATOM 1734 CD2 LEU A 108 -3.755 9.564 0.912 1.00 13.12 C ATOM 0 H LEU A 108 -2.939 10.708 -2.848 1.00 71.54 H new ATOM 0 HA LEU A 108 -4.509 11.775 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.512 11.426 -0.997 1.00 3.14 H new ATOM 0 HB3 LEU A 108 -2.293 11.952 0.481 1.00 3.14 H new ATOM 0 HG LEU A 108 -2.511 9.191 -0.779 1.00 23.52 H new ATOM 0 HD11 LEU A 108 -1.287 8.415 1.223 1.00 43.25 H new ATOM 0 HD12 LEU A 108 -0.335 9.566 0.258 1.00 43.25 H new ATOM 0 HD13 LEU A 108 -1.118 10.102 1.763 1.00 43.25 H new ATOM 0 HD21 LEU A 108 -3.768 8.524 1.240 1.00 13.12 H new ATOM 0 HD22 LEU A 108 -3.778 10.219 1.783 1.00 13.12 H new ATOM 0 HD23 LEU A 108 -4.627 9.759 0.288 1.00 13.12 H new ATOM 1746 N GLU A 109 -4.445 14.075 -1.652 1.00 1.53 N ATOM 1747 CA GLU A 109 -4.365 15.458 -2.156 1.00 44.32 C ATOM 1748 C GLU A 109 -3.872 16.395 -1.044 1.00 11.14 C ATOM 1749 O GLU A 109 -4.658 16.829 -0.197 1.00 13.44 O ATOM 1750 CB GLU A 109 -5.746 15.906 -2.689 1.00 41.33 C ATOM 1751 CG GLU A 109 -6.341 14.984 -3.773 1.00 45.24 C ATOM 1752 CD GLU A 109 -7.788 15.345 -4.145 1.00 62.32 C ATOM 1753 OE1 GLU A 109 -8.712 14.959 -3.393 1.00 31.13 O ATOM 1754 OE2 GLU A 109 -8.009 16.020 -5.175 1.00 30.13 O ATOM 0 H GLU A 109 -5.359 13.821 -1.276 1.00 1.53 H new ATOM 0 HA GLU A 109 -3.651 15.502 -2.979 1.00 44.32 H new ATOM 0 HB2 GLU A 109 -6.444 15.961 -1.853 1.00 41.33 H new ATOM 0 HB3 GLU A 109 -5.655 16.913 -3.096 1.00 41.33 H new ATOM 0 HG2 GLU A 109 -5.719 15.036 -4.667 1.00 45.24 H new ATOM 0 HG3 GLU A 109 -6.309 13.953 -3.422 1.00 45.24 H new ATOM 1761 N LEU A 110 -2.553 16.642 -1.012 1.00 24.31 N ATOM 1762 CA LEU A 110 -1.943 17.586 -0.071 1.00 41.34 C ATOM 1763 C LEU A 110 -1.922 18.989 -0.704 1.00 31.34 C ATOM 1764 O LEU A 110 -1.219 19.220 -1.694 1.00 32.25 O ATOM 1765 CB LEU A 110 -0.500 17.142 0.342 1.00 0.24 C ATOM 1766 CG LEU A 110 -0.350 15.794 1.151 1.00 72.42 C ATOM 1767 CD1 LEU A 110 -1.418 15.663 2.253 1.00 20.44 C ATOM 1768 CD2 LEU A 110 -0.321 14.554 0.232 1.00 52.44 C ATOM 0 H LEU A 110 -1.884 16.193 -1.637 1.00 24.31 H new ATOM 0 HA LEU A 110 -2.542 17.605 0.839 1.00 41.34 H new ATOM 0 HB2 LEU A 110 0.097 17.057 -0.566 1.00 0.24 H new ATOM 0 HB3 LEU A 110 -0.061 17.942 0.938 1.00 0.24 H new ATOM 0 HG LEU A 110 0.620 15.838 1.645 1.00 72.42 H new ATOM 0 HD11 LEU A 110 -1.278 14.722 2.785 1.00 20.44 H new ATOM 0 HD12 LEU A 110 -1.322 16.493 2.953 1.00 20.44 H new ATOM 0 HD13 LEU A 110 -2.410 15.681 1.802 1.00 20.44 H new ATOM 0 HD21 LEU A 110 -0.217 13.654 0.838 1.00 52.44 H new ATOM 0 HD22 LEU A 110 -1.249 14.502 -0.338 1.00 52.44 H new ATOM 0 HD23 LEU A 110 0.523 14.629 -0.454 1.00 52.44 H new ATOM 1780 N GLU A 111 -2.750 19.896 -0.166 1.00 1.25 N ATOM 1781 CA GLU A 111 -2.779 21.323 -0.549 1.00 12.11 C ATOM 1782 C GLU A 111 -2.830 22.179 0.723 1.00 1.24 C ATOM 1783 O GLU A 111 -1.887 22.918 1.028 1.00 24.21 O ATOM 1784 CB GLU A 111 -3.997 21.625 -1.471 1.00 42.21 C ATOM 1785 CG GLU A 111 -4.197 23.121 -1.816 1.00 51.44 C ATOM 1786 CD GLU A 111 -5.429 23.379 -2.700 1.00 2.32 C ATOM 1787 OE1 GLU A 111 -5.302 23.334 -3.940 1.00 62.42 O ATOM 1788 OE2 GLU A 111 -6.535 23.607 -2.162 1.00 24.43 O ATOM 0 H GLU A 111 -3.429 19.660 0.558 1.00 1.25 H new ATOM 0 HA GLU A 111 -1.877 21.565 -1.111 1.00 12.11 H new ATOM 0 HB2 GLU A 111 -3.879 21.066 -2.399 1.00 42.21 H new ATOM 0 HB3 GLU A 111 -4.901 21.254 -0.988 1.00 42.21 H new ATOM 0 HG2 GLU A 111 -4.295 23.690 -0.892 1.00 51.44 H new ATOM 0 HG3 GLU A 111 -3.308 23.492 -2.326 1.00 51.44 H new ATOM 1795 N HIS A 112 -3.939 22.071 1.474 1.00 70.03 N ATOM 1796 CA HIS A 112 -4.081 22.732 2.777 1.00 34.11 C ATOM 1797 C HIS A 112 -4.229 21.671 3.867 1.00 51.25 C ATOM 1798 O HIS A 112 -5.295 21.058 4.022 1.00 60.41 O ATOM 1799 CB HIS A 112 -5.283 23.705 2.794 1.00 11.21 C ATOM 1800 CG HIS A 112 -5.303 24.603 4.007 1.00 2.24 C ATOM 1801 ND1 HIS A 112 -6.138 24.418 5.088 1.00 25.54 N ATOM 1802 CD2 HIS A 112 -4.562 25.698 4.300 1.00 15.44 C ATOM 1803 CE1 HIS A 112 -5.911 25.354 5.984 1.00 20.04 C ATOM 1804 NE2 HIS A 112 -4.959 26.143 5.531 1.00 55.05 N ATOM 0 H HIS A 112 -4.755 21.527 1.195 1.00 70.03 H new ATOM 0 HA HIS A 112 -3.186 23.325 2.965 1.00 34.11 H new ATOM 0 HB2 HIS A 112 -5.257 24.320 1.895 1.00 11.21 H new ATOM 0 HB3 HIS A 112 -6.208 23.130 2.760 1.00 11.21 H new ATOM 0 HD2 HIS A 112 -3.798 26.139 3.676 1.00 15.44 H new ATOM 0 HE1 HIS A 112 -6.420 25.458 6.931 1.00 20.04 H new ATOM 0 HE2 HIS A 112 -4.579 26.954 6.019 1.00 55.05 H new ATOM 1813 N HIS A 113 -3.133 21.442 4.588 1.00 72.34 N ATOM 1814 CA HIS A 113 -3.070 20.513 5.713 1.00 34.13 C ATOM 1815 C HIS A 113 -1.928 20.963 6.633 1.00 12.52 C ATOM 1816 O HIS A 113 -0.853 21.367 6.156 1.00 75.53 O ATOM 1817 CB HIS A 113 -2.856 19.048 5.231 1.00 41.53 C ATOM 1818 CG HIS A 113 -1.510 18.796 4.595 1.00 14.50 C ATOM 1819 ND1 HIS A 113 -0.518 18.052 5.202 1.00 74.13 N ATOM 1820 CD2 HIS A 113 -0.982 19.231 3.425 1.00 41.41 C ATOM 1821 CE1 HIS A 113 0.557 18.050 4.443 1.00 63.54 C ATOM 1822 NE2 HIS A 113 0.298 18.755 3.359 1.00 43.21 N ATOM 0 H HIS A 113 -2.245 21.908 4.402 1.00 72.34 H new ATOM 0 HA HIS A 113 -4.016 20.526 6.254 1.00 34.13 H new ATOM 0 HB2 HIS A 113 -2.975 18.377 6.081 1.00 41.53 H new ATOM 0 HB3 HIS A 113 -3.637 18.796 4.514 1.00 41.53 H new ATOM 0 HD1 HIS A 113 -0.605 17.577 6.100 1.00 74.13 H new ATOM 0 HD2 HIS A 113 -1.479 19.839 2.684 1.00 41.41 H new ATOM 0 HE1 HIS A 113 1.491 17.556 4.669 1.00 63.54 H new ATOM 1831 N HIS A 114 -2.165 20.917 7.939 1.00 34.53 N ATOM 1832 CA HIS A 114 -1.181 21.293 8.951 1.00 32.52 C ATOM 1833 C HIS A 114 -1.384 20.393 10.174 1.00 24.25 C ATOM 1834 O HIS A 114 -2.420 20.466 10.838 1.00 34.35 O ATOM 1835 CB HIS A 114 -1.333 22.799 9.312 1.00 71.22 C ATOM 1836 CG HIS A 114 -0.291 23.323 10.269 1.00 72.22 C ATOM 1837 ND1 HIS A 114 0.974 23.703 9.868 1.00 22.42 N ATOM 1838 CD2 HIS A 114 -0.330 23.535 11.609 1.00 11.34 C ATOM 1839 CE1 HIS A 114 1.660 24.122 10.913 1.00 31.23 C ATOM 1840 NE2 HIS A 114 0.893 24.026 11.980 1.00 51.13 N ATOM 0 H HIS A 114 -3.057 20.614 8.331 1.00 34.53 H new ATOM 0 HA HIS A 114 -0.168 21.155 8.573 1.00 32.52 H new ATOM 0 HB2 HIS A 114 -1.292 23.385 8.394 1.00 71.22 H new ATOM 0 HB3 HIS A 114 -2.320 22.957 9.747 1.00 71.22 H new ATOM 0 HD2 HIS A 114 -1.170 23.351 12.262 1.00 11.34 H new ATOM 0 HE1 HIS A 114 2.678 24.483 10.897 1.00 31.23 H new ATOM 0 HE2 HIS A 114 1.166 24.277 12.930 1.00 51.13 H new ATOM 1849 N HIS A 115 -0.397 19.528 10.432 1.00 31.42 N ATOM 1850 CA HIS A 115 -0.395 18.586 11.564 1.00 20.43 C ATOM 1851 C HIS A 115 1.041 18.420 12.059 1.00 33.45 C ATOM 1852 O HIS A 115 1.311 18.598 13.248 1.00 23.33 O ATOM 1853 CB HIS A 115 -0.999 17.212 11.139 1.00 70.10 C ATOM 1854 CG HIS A 115 -0.957 16.142 12.211 1.00 44.43 C ATOM 1855 ND1 HIS A 115 -1.909 16.031 13.202 1.00 42.15 N ATOM 1856 CD2 HIS A 115 -0.074 15.135 12.439 1.00 51.44 C ATOM 1857 CE1 HIS A 115 -1.615 15.015 13.986 1.00 1.42 C ATOM 1858 NE2 HIS A 115 -0.510 14.457 13.545 1.00 2.12 N ATOM 0 H HIS A 115 0.439 19.459 9.852 1.00 31.42 H new ATOM 0 HA HIS A 115 -1.015 18.979 12.370 1.00 20.43 H new ATOM 0 HB2 HIS A 115 -2.035 17.364 10.837 1.00 70.10 H new ATOM 0 HB3 HIS A 115 -0.462 16.850 10.262 1.00 70.10 H new ATOM 0 HD2 HIS A 115 0.807 14.911 11.856 1.00 51.44 H new ATOM 0 HE1 HIS A 115 -2.185 14.695 14.845 1.00 1.42 H new ATOM 0 HE2 HIS A 115 -0.050 13.647 13.961 1.00 2.12 H new ATOM 1867 N HIS A 116 1.937 18.067 11.105 1.00 24.10 N ATOM 1868 CA HIS A 116 3.377 17.807 11.344 1.00 55.40 C ATOM 1869 C HIS A 116 3.582 16.565 12.242 1.00 73.35 C ATOM 1870 O HIS A 116 3.095 16.522 13.376 1.00 23.23 O ATOM 1871 CB HIS A 116 4.105 19.053 11.935 1.00 55.31 C ATOM 1872 CG HIS A 116 5.584 18.854 12.178 1.00 55.30 C ATOM 1873 ND1 HIS A 116 6.131 18.717 13.435 1.00 70.21 N ATOM 1874 CD2 HIS A 116 6.623 18.763 11.312 1.00 33.43 C ATOM 1875 CE1 HIS A 116 7.433 18.550 13.331 1.00 62.40 C ATOM 1876 NE2 HIS A 116 7.755 18.574 12.055 1.00 2.24 N ATOM 0 H HIS A 116 1.672 17.953 10.127 1.00 24.10 H new ATOM 0 HA HIS A 116 3.829 17.599 10.374 1.00 55.40 H new ATOM 0 HB2 HIS A 116 3.971 19.894 11.255 1.00 55.31 H new ATOM 0 HB3 HIS A 116 3.628 19.325 12.876 1.00 55.31 H new ATOM 0 HD2 HIS A 116 6.567 18.828 10.235 1.00 33.43 H new ATOM 0 HE1 HIS A 116 8.120 18.416 14.153 1.00 62.40 H new ATOM 0 HE2 HIS A 116 8.698 18.469 11.681 1.00 2.24 H new ATOM 1885 N HIS A 117 4.310 15.563 11.721 1.00 24.23 N ATOM 1886 CA HIS A 117 4.663 14.348 12.473 1.00 24.42 C ATOM 1887 C HIS A 117 5.503 14.724 13.723 1.00 74.40 C ATOM 1888 O HIS A 117 5.075 14.446 14.860 1.00 54.10 O ATOM 1889 CB HIS A 117 5.426 13.339 11.567 1.00 12.24 C ATOM 1890 CG HIS A 117 5.817 12.056 12.279 1.00 4.13 C ATOM 1891 ND1 HIS A 117 4.942 11.004 12.471 1.00 73.33 N ATOM 1892 CD2 HIS A 117 6.983 11.673 12.862 1.00 74.13 C ATOM 1893 CE1 HIS A 117 5.550 10.044 13.139 1.00 14.11 C ATOM 1894 NE2 HIS A 117 6.786 10.424 13.386 1.00 31.33 N ATOM 1895 OXT HIS A 117 6.564 15.355 13.550 1.00 38.08 O ATOM 0 H HIS A 117 4.670 15.573 10.767 1.00 24.23 H new ATOM 0 HA HIS A 117 3.746 13.862 12.807 1.00 24.42 H new ATOM 0 HB2 HIS A 117 4.803 13.092 10.708 1.00 12.24 H new ATOM 0 HB3 HIS A 117 6.325 13.819 11.181 1.00 12.24 H new ATOM 0 HD2 HIS A 117 7.896 12.248 12.904 1.00 74.13 H new ATOM 0 HE1 HIS A 117 5.108 9.104 13.434 1.00 14.11 H new ATOM 0 HE2 HIS A 117 7.485 9.876 13.887 1.00 31.33 H new TER 1904 HIS A 117