USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 806 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 38 LYS NZ :NH3+ -154:sc= 0.407 (180deg=0.00248) USER MOD Set 1.2: A 42 GLN : amide:sc= -1.88 K(o=-1.5,f=-0.19!) USER MOD Set 2.1: A 25 ASN : amide:sc= -2.66 K(o=-1.4,f=-7!) USER MOD Set 2.2: A 28 SER OG : rot 157:sc= 1.23 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= -0.0334 (180deg=-0.323) USER MOD Single : A 13 SER OG : rot -49:sc= 0.0189 USER MOD Single : A 16 SER OG : rot 68:sc= 0.782 USER MOD Single : A 17 SER OG : rot 165:sc= 1.2 USER MOD Single : A 18 CYS SG : rot -96:sc= 0.528 USER MOD Single : A 19 GLN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD Single : A 23 SER OG : rot -65:sc= 1.04 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 36 SER OG : rot 180:sc= 0.055 USER MOD Single : A 37 SER OG : rot 62:sc= 0.733 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.0072 (180deg=-0.118) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.5) USER MOD Single : A 54 LYS NZ :NH3+ -157:sc= -0.034 (180deg=-0.247) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ 153:sc= 0.329 (180deg=0.0752) USER MOD Single : A 69 ASN : amide:sc= -3.68! C(o=-3.7!,f=-9.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.26 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.628 USER MOD Single : A 96 LYS NZ :NH3+ 144:sc=-0.00821 (180deg=-0.0982) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot -21:sc= 0.288 USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= -0.0212 (180deg=-0.396) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.127 -0.464 -2.139 1.00 4.22 N ATOM 2 CA ALA A 1 1.475 -0.120 -2.574 1.00 4.44 C ATOM 3 C ALA A 1 2.468 -1.217 -2.205 1.00 41.21 C ATOM 4 O ALA A 1 2.794 -1.404 -1.032 1.00 53.33 O ATOM 5 CB ALA A 1 1.903 1.208 -1.966 1.00 23.14 C ATOM 0 H1 ALA A 1 -0.528 0.299 -2.403 1.00 4.22 H new ATOM 0 H2 ALA A 1 -0.170 -1.349 -2.597 1.00 4.22 H new ATOM 0 H3 ALA A 1 0.116 -0.588 -1.106 1.00 4.22 H new ATOM 0 HA ALA A 1 1.466 -0.024 -3.660 1.00 4.44 H new ATOM 0 HB1 ALA A 1 2.912 1.453 -2.299 1.00 23.14 H new ATOM 0 HB2 ALA A 1 1.216 1.992 -2.284 1.00 23.14 H new ATOM 0 HB3 ALA A 1 1.889 1.132 -0.879 1.00 23.14 H new ATOM 11 N ILE A 2 2.945 -1.940 -3.213 1.00 12.22 N ATOM 12 CA ILE A 2 3.901 -3.018 -2.994 1.00 33.14 C ATOM 13 C ILE A 2 5.245 -2.700 -3.639 1.00 25.35 C ATOM 14 O ILE A 2 6.275 -3.261 -3.263 1.00 64.51 O ATOM 15 CB ILE A 2 3.379 -4.355 -3.553 1.00 22.03 C ATOM 16 CG1 ILE A 2 4.308 -5.500 -3.145 1.00 30.51 C ATOM 17 CG2 ILE A 2 3.252 -4.282 -5.067 1.00 62.40 C ATOM 18 CD1 ILE A 2 4.449 -5.660 -1.647 1.00 45.43 C ATOM 0 H ILE A 2 2.685 -1.799 -4.189 1.00 12.22 H new ATOM 0 HA ILE A 2 4.031 -3.110 -1.916 1.00 33.14 H new ATOM 0 HB ILE A 2 2.391 -4.547 -3.134 1.00 22.03 H new ATOM 0 HG12 ILE A 2 3.931 -6.431 -3.568 1.00 30.51 H new ATOM 0 HG13 ILE A 2 5.294 -5.329 -3.578 1.00 30.51 H new ATOM 0 HG21 ILE A 2 2.882 -5.234 -5.447 1.00 62.40 H new ATOM 0 HG22 ILE A 2 2.555 -3.488 -5.336 1.00 62.40 H new ATOM 0 HG23 ILE A 2 4.228 -4.071 -5.504 1.00 62.40 H new ATOM 0 HD11 ILE A 2 5.122 -6.490 -1.431 1.00 45.43 H new ATOM 0 HD12 ILE A 2 4.855 -4.743 -1.220 1.00 45.43 H new ATOM 0 HD13 ILE A 2 3.472 -5.862 -1.209 1.00 45.43 H new ATOM 30 N THR A 3 5.230 -1.794 -4.611 1.00 72.23 N ATOM 31 CA THR A 3 6.447 -1.400 -5.309 1.00 25.34 C ATOM 32 C THR A 3 7.523 -0.951 -4.326 1.00 12.00 C ATOM 33 O THR A 3 8.717 -1.059 -4.606 1.00 31.13 O ATOM 34 CB THR A 3 6.177 -0.263 -6.312 1.00 24.11 C ATOM 35 OG1 THR A 3 5.674 0.888 -5.624 1.00 70.43 O ATOM 36 CG2 THR A 3 5.180 -0.703 -7.373 1.00 11.02 C ATOM 0 H THR A 3 4.387 -1.319 -4.933 1.00 72.23 H new ATOM 0 HA THR A 3 6.798 -2.277 -5.852 1.00 25.34 H new ATOM 0 HB THR A 3 7.117 -0.010 -6.803 1.00 24.11 H new ATOM 0 HG1 THR A 3 5.506 1.607 -6.268 1.00 70.43 H new ATOM 0 HG21 THR A 3 5.005 0.117 -8.070 1.00 11.02 H new ATOM 0 HG22 THR A 3 5.579 -1.561 -7.914 1.00 11.02 H new ATOM 0 HG23 THR A 3 4.240 -0.981 -6.896 1.00 11.02 H new ATOM 44 N ASP A 4 7.092 -0.448 -3.175 1.00 3.55 N ATOM 45 CA ASP A 4 8.019 0.017 -2.149 1.00 21.32 C ATOM 46 C ASP A 4 8.928 -1.117 -1.684 1.00 71.02 C ATOM 47 O ASP A 4 9.993 -0.878 -1.114 1.00 50.14 O ATOM 48 CB ASP A 4 7.250 0.591 -0.958 1.00 73.12 C ATOM 49 CG ASP A 4 6.793 2.016 -1.197 1.00 55.43 C ATOM 50 OD1 ASP A 4 7.619 2.836 -1.650 1.00 74.11 O ATOM 51 OD2 ASP A 4 5.609 2.313 -0.931 1.00 33.21 O ATOM 0 H ASP A 4 6.107 -0.352 -2.928 1.00 3.55 H new ATOM 0 HA ASP A 4 8.639 0.801 -2.583 1.00 21.32 H new ATOM 0 HB2 ASP A 4 6.382 -0.036 -0.753 1.00 73.12 H new ATOM 0 HB3 ASP A 4 7.883 0.559 -0.071 1.00 73.12 H new ATOM 56 N ILE A 5 8.500 -2.350 -1.930 1.00 75.55 N ATOM 57 CA ILE A 5 9.275 -3.521 -1.537 1.00 53.53 C ATOM 58 C ILE A 5 9.697 -4.335 -2.755 1.00 73.13 C ATOM 59 O ILE A 5 10.858 -4.724 -2.884 1.00 23.12 O ATOM 60 CB ILE A 5 8.480 -4.426 -0.578 1.00 73.33 C ATOM 61 CG1 ILE A 5 7.476 -3.598 0.226 1.00 52.20 C ATOM 62 CG2 ILE A 5 9.425 -5.172 0.352 1.00 50.13 C ATOM 63 CD1 ILE A 5 6.698 -4.408 1.239 1.00 2.14 C ATOM 0 H ILE A 5 7.620 -2.565 -2.400 1.00 75.55 H new ATOM 0 HA ILE A 5 10.164 -3.154 -1.023 1.00 53.53 H new ATOM 0 HB ILE A 5 7.928 -5.158 -1.167 1.00 73.33 H new ATOM 0 HG12 ILE A 5 8.008 -2.799 0.743 1.00 52.20 H new ATOM 0 HG13 ILE A 5 6.776 -3.123 -0.461 1.00 52.20 H new ATOM 0 HG21 ILE A 5 8.848 -5.807 1.024 1.00 50.13 H new ATOM 0 HG22 ILE A 5 10.104 -5.789 -0.237 1.00 50.13 H new ATOM 0 HG23 ILE A 5 10.001 -4.455 0.937 1.00 50.13 H new ATOM 0 HD11 ILE A 5 6.006 -3.756 1.772 1.00 2.14 H new ATOM 0 HD12 ILE A 5 6.138 -5.191 0.727 1.00 2.14 H new ATOM 0 HD13 ILE A 5 7.389 -4.862 1.950 1.00 2.14 H new ATOM 75 N LEU A 6 8.747 -4.589 -3.649 1.00 14.45 N ATOM 76 CA LEU A 6 9.019 -5.356 -4.859 1.00 5.30 C ATOM 77 C LEU A 6 9.313 -4.430 -6.035 1.00 64.44 C ATOM 78 O LEU A 6 9.407 -3.214 -5.873 1.00 14.21 O ATOM 79 CB LEU A 6 7.832 -6.261 -5.192 1.00 11.35 C ATOM 80 CG LEU A 6 8.008 -7.745 -4.868 1.00 53.23 C ATOM 81 CD1 LEU A 6 8.593 -7.922 -3.476 1.00 20.21 C ATOM 82 CD2 LEU A 6 6.679 -8.478 -4.988 1.00 4.32 C ATOM 0 H LEU A 6 7.781 -4.274 -3.558 1.00 14.45 H new ATOM 0 HA LEU A 6 9.898 -5.974 -4.678 1.00 5.30 H new ATOM 0 HB2 LEU A 6 6.958 -5.893 -4.654 1.00 11.35 H new ATOM 0 HB3 LEU A 6 7.615 -6.165 -6.256 1.00 11.35 H new ATOM 0 HG LEU A 6 8.704 -8.175 -5.589 1.00 53.23 H new ATOM 0 HD11 LEU A 6 8.711 -8.985 -3.263 1.00 20.21 H new ATOM 0 HD12 LEU A 6 9.565 -7.432 -3.425 1.00 20.21 H new ATOM 0 HD13 LEU A 6 7.923 -7.477 -2.740 1.00 20.21 H new ATOM 0 HD21 LEU A 6 6.823 -9.533 -4.754 1.00 4.32 H new ATOM 0 HD22 LEU A 6 5.961 -8.046 -4.291 1.00 4.32 H new ATOM 0 HD23 LEU A 6 6.300 -8.380 -6.005 1.00 4.32 H new ATOM 94 N SER A 7 9.456 -5.015 -7.220 1.00 64.34 N ATOM 95 CA SER A 7 9.741 -4.243 -8.424 1.00 62.54 C ATOM 96 C SER A 7 8.606 -4.375 -9.435 1.00 52.30 C ATOM 97 O SER A 7 8.245 -5.479 -9.840 1.00 22.52 O ATOM 98 CB SER A 7 11.056 -4.708 -9.054 1.00 51.42 C ATOM 99 OG SER A 7 12.111 -3.813 -8.749 1.00 44.43 O ATOM 0 H SER A 7 9.379 -6.021 -7.372 1.00 64.34 H new ATOM 0 HA SER A 7 9.832 -3.194 -8.140 1.00 62.54 H new ATOM 0 HB2 SER A 7 11.304 -5.705 -8.691 1.00 51.42 H new ATOM 0 HB3 SER A 7 10.939 -4.782 -10.135 1.00 51.42 H new ATOM 0 HG SER A 7 12.941 -4.133 -9.161 1.00 44.43 H new ATOM 105 N ALA A 8 8.047 -3.238 -9.838 1.00 74.50 N ATOM 106 CA ALA A 8 6.954 -3.225 -10.802 1.00 53.14 C ATOM 107 C ALA A 8 7.407 -3.768 -12.153 1.00 50.04 C ATOM 108 O ALA A 8 6.599 -4.266 -12.937 1.00 74.21 O ATOM 109 CB ALA A 8 6.403 -1.815 -10.956 1.00 52.01 C ATOM 0 H ALA A 8 8.333 -2.315 -9.512 1.00 74.50 H new ATOM 0 HA ALA A 8 6.163 -3.874 -10.426 1.00 53.14 H new ATOM 0 HB1 ALA A 8 5.587 -1.820 -11.679 1.00 52.01 H new ATOM 0 HB2 ALA A 8 6.033 -1.462 -9.994 1.00 52.01 H new ATOM 0 HB3 ALA A 8 7.194 -1.152 -11.306 1.00 52.01 H new ATOM 115 N LYS A 9 8.705 -3.668 -12.421 1.00 34.02 N ATOM 116 CA LYS A 9 9.267 -4.149 -13.677 1.00 72.50 C ATOM 117 C LYS A 9 9.660 -5.619 -13.569 1.00 71.33 C ATOM 118 O LYS A 9 10.103 -6.226 -14.544 1.00 64.14 O ATOM 119 CB LYS A 9 10.486 -3.312 -14.068 1.00 43.31 C ATOM 120 CG LYS A 9 10.602 -3.067 -15.563 1.00 0.44 C ATOM 121 CD LYS A 9 9.584 -2.045 -16.041 1.00 34.24 C ATOM 122 CE LYS A 9 10.143 -0.632 -15.984 1.00 12.13 C ATOM 123 NZ LYS A 9 11.215 -0.419 -16.995 1.00 3.44 N ATOM 0 H LYS A 9 9.388 -3.258 -11.784 1.00 34.02 H new ATOM 0 HA LYS A 9 8.504 -4.050 -14.449 1.00 72.50 H new ATOM 0 HB2 LYS A 9 10.437 -2.352 -13.554 1.00 43.31 H new ATOM 0 HB3 LYS A 9 11.388 -3.815 -13.720 1.00 43.31 H new ATOM 0 HG2 LYS A 9 11.607 -2.718 -15.799 1.00 0.44 H new ATOM 0 HG3 LYS A 9 10.456 -4.005 -16.099 1.00 0.44 H new ATOM 0 HD2 LYS A 9 9.285 -2.278 -17.063 1.00 34.24 H new ATOM 0 HD3 LYS A 9 8.687 -2.108 -15.425 1.00 34.24 H new ATOM 0 HE2 LYS A 9 9.338 0.084 -16.151 1.00 12.13 H new ATOM 0 HE3 LYS A 9 10.540 -0.438 -14.987 1.00 12.13 H new ATOM 0 HZ1 LYS A 9 11.311 0.598 -17.190 1.00 3.44 H new ATOM 0 HZ2 LYS A 9 12.116 -0.787 -16.629 1.00 3.44 H new ATOM 0 HZ3 LYS A 9 10.968 -0.919 -17.873 1.00 3.44 H new ATOM 137 N ASP A 10 9.493 -6.186 -12.379 1.00 42.23 N ATOM 138 CA ASP A 10 9.828 -7.586 -12.145 1.00 42.32 C ATOM 139 C ASP A 10 8.568 -8.416 -11.920 1.00 43.24 C ATOM 140 O ASP A 10 8.504 -9.582 -12.311 1.00 54.31 O ATOM 141 CB ASP A 10 10.761 -7.714 -10.940 1.00 34.34 C ATOM 142 CG ASP A 10 12.019 -6.882 -11.089 1.00 54.52 C ATOM 143 OD1 ASP A 10 12.237 -6.328 -12.187 1.00 61.04 O ATOM 144 OD2 ASP A 10 12.784 -6.783 -10.108 1.00 1.52 O ATOM 0 H ASP A 10 9.128 -5.698 -11.561 1.00 42.23 H new ATOM 0 HA ASP A 10 10.337 -7.966 -13.031 1.00 42.32 H new ATOM 0 HB2 ASP A 10 10.230 -7.406 -10.039 1.00 34.34 H new ATOM 0 HB3 ASP A 10 11.035 -8.760 -10.806 1.00 34.34 H new ATOM 149 N ILE A 11 7.570 -7.808 -11.288 1.00 4.30 N ATOM 150 CA ILE A 11 6.313 -8.491 -11.011 1.00 51.14 C ATOM 151 C ILE A 11 5.607 -8.888 -12.304 1.00 2.04 C ATOM 152 O ILE A 11 5.179 -10.031 -12.462 1.00 43.32 O ATOM 153 CB ILE A 11 5.367 -7.611 -10.173 1.00 20.45 C ATOM 154 CG1 ILE A 11 5.979 -7.334 -8.798 1.00 14.32 C ATOM 155 CG2 ILE A 11 4.009 -8.282 -10.028 1.00 51.25 C ATOM 156 CD1 ILE A 11 5.423 -6.097 -8.128 1.00 13.32 C ATOM 0 H ILE A 11 7.608 -6.844 -10.958 1.00 4.30 H new ATOM 0 HA ILE A 11 6.560 -9.388 -10.443 1.00 51.14 H new ATOM 0 HB ILE A 11 5.228 -6.660 -10.687 1.00 20.45 H new ATOM 0 HG12 ILE A 11 5.807 -8.195 -8.153 1.00 14.32 H new ATOM 0 HG13 ILE A 11 7.058 -7.226 -8.905 1.00 14.32 H new ATOM 0 HG21 ILE A 11 3.352 -7.648 -9.433 1.00 51.25 H new ATOM 0 HG22 ILE A 11 3.571 -8.434 -11.015 1.00 51.25 H new ATOM 0 HG23 ILE A 11 4.130 -9.245 -9.532 1.00 51.25 H new ATOM 0 HD11 ILE A 11 5.902 -5.962 -7.158 1.00 13.32 H new ATOM 0 HD12 ILE A 11 5.618 -5.226 -8.753 1.00 13.32 H new ATOM 0 HD13 ILE A 11 4.348 -6.210 -7.989 1.00 13.32 H new ATOM 168 N GLU A 12 5.491 -7.936 -13.225 1.00 23.53 N ATOM 169 CA GLU A 12 4.838 -8.188 -14.504 1.00 23.10 C ATOM 170 C GLU A 12 5.733 -9.022 -15.417 1.00 10.41 C ATOM 171 O GLU A 12 5.252 -9.695 -16.328 1.00 45.15 O ATOM 172 CB GLU A 12 4.482 -6.867 -15.189 1.00 10.15 C ATOM 173 CG GLU A 12 5.654 -6.217 -15.904 1.00 41.23 C ATOM 174 CD GLU A 12 5.773 -6.659 -17.350 1.00 31.21 C ATOM 175 OE1 GLU A 12 4.851 -6.365 -18.139 1.00 0.42 O ATOM 176 OE2 GLU A 12 6.789 -7.300 -17.692 1.00 32.12 O ATOM 0 H GLU A 12 5.840 -6.985 -13.109 1.00 23.53 H new ATOM 0 HA GLU A 12 3.923 -8.747 -14.311 1.00 23.10 H new ATOM 0 HB2 GLU A 12 3.682 -7.044 -15.908 1.00 10.15 H new ATOM 0 HB3 GLU A 12 4.093 -6.174 -14.443 1.00 10.15 H new ATOM 0 HG2 GLU A 12 5.542 -5.133 -15.867 1.00 41.23 H new ATOM 0 HG3 GLU A 12 6.577 -6.460 -15.377 1.00 41.23 H new ATOM 183 N SER A 13 7.037 -8.970 -15.165 1.00 61.11 N ATOM 184 CA SER A 13 8.000 -9.716 -15.966 1.00 63.23 C ATOM 185 C SER A 13 8.252 -11.097 -15.367 1.00 54.34 C ATOM 186 O SER A 13 9.132 -11.830 -15.817 1.00 40.50 O ATOM 187 CB SER A 13 9.317 -8.945 -16.068 1.00 44.51 C ATOM 188 OG SER A 13 10.040 -9.320 -17.227 1.00 64.34 O ATOM 0 H SER A 13 7.451 -8.419 -14.413 1.00 61.11 H new ATOM 0 HA SER A 13 7.583 -9.843 -16.965 1.00 63.23 H new ATOM 0 HB2 SER A 13 9.114 -7.874 -16.093 1.00 44.51 H new ATOM 0 HB3 SER A 13 9.922 -9.134 -15.181 1.00 44.51 H new ATOM 0 HG SER A 13 10.086 -10.297 -17.282 1.00 64.34 H new ATOM 194 N ALA A 14 7.471 -11.444 -14.349 1.00 71.15 N ATOM 195 CA ALA A 14 7.606 -12.737 -13.689 1.00 44.43 C ATOM 196 C ALA A 14 6.314 -13.540 -13.786 1.00 21.43 C ATOM 197 O ALA A 14 6.330 -14.771 -13.730 1.00 5.25 O ATOM 198 CB ALA A 14 8.005 -12.546 -12.233 1.00 74.42 C ATOM 0 H ALA A 14 6.738 -10.848 -13.964 1.00 71.15 H new ATOM 0 HA ALA A 14 8.390 -13.298 -14.198 1.00 44.43 H new ATOM 0 HB1 ALA A 14 8.102 -13.519 -11.752 1.00 74.42 H new ATOM 0 HB2 ALA A 14 8.958 -12.019 -12.183 1.00 74.42 H new ATOM 0 HB3 ALA A 14 7.241 -11.962 -11.720 1.00 74.42 H new ATOM 204 N LEU A 15 5.196 -12.838 -13.930 1.00 73.32 N ATOM 205 CA LEU A 15 3.893 -13.487 -14.034 1.00 1.12 C ATOM 206 C LEU A 15 3.865 -14.469 -15.200 1.00 62.32 C ATOM 207 O LEU A 15 3.840 -15.684 -15.001 1.00 55.24 O ATOM 208 CB LEU A 15 2.792 -12.439 -14.208 1.00 22.30 C ATOM 209 CG LEU A 15 2.155 -11.915 -12.921 1.00 10.22 C ATOM 210 CD1 LEU A 15 1.364 -10.646 -13.196 1.00 15.44 C ATOM 211 CD2 LEU A 15 1.262 -12.977 -12.296 1.00 64.31 C ATOM 0 H LEU A 15 5.165 -11.820 -13.977 1.00 73.32 H new ATOM 0 HA LEU A 15 3.716 -14.041 -13.112 1.00 1.12 H new ATOM 0 HB2 LEU A 15 3.207 -11.593 -14.755 1.00 22.30 H new ATOM 0 HB3 LEU A 15 2.006 -12.867 -14.831 1.00 22.30 H new ATOM 0 HG LEU A 15 2.951 -11.677 -12.215 1.00 10.22 H new ATOM 0 HD11 LEU A 15 0.918 -10.287 -12.269 1.00 15.44 H new ATOM 0 HD12 LEU A 15 2.030 -9.882 -13.597 1.00 15.44 H new ATOM 0 HD13 LEU A 15 0.577 -10.858 -13.919 1.00 15.44 H new ATOM 0 HD21 LEU A 15 0.817 -12.586 -11.381 1.00 64.31 H new ATOM 0 HD22 LEU A 15 0.472 -13.247 -12.997 1.00 64.31 H new ATOM 0 HD23 LEU A 15 1.856 -13.860 -12.062 1.00 64.31 H new ATOM 223 N SER A 16 3.873 -13.935 -16.417 1.00 75.24 N ATOM 224 CA SER A 16 3.846 -14.765 -17.616 1.00 44.23 C ATOM 225 C SER A 16 5.262 -15.060 -18.104 1.00 12.04 C ATOM 226 O SER A 16 5.515 -15.125 -19.306 1.00 61.24 O ATOM 227 CB SER A 16 3.048 -14.074 -18.723 1.00 54.31 C ATOM 228 OG SER A 16 3.854 -13.151 -19.434 1.00 3.52 O ATOM 0 H SER A 16 3.898 -12.932 -16.599 1.00 75.24 H new ATOM 0 HA SER A 16 3.362 -15.709 -17.364 1.00 44.23 H new ATOM 0 HB2 SER A 16 2.653 -14.821 -19.411 1.00 54.31 H new ATOM 0 HB3 SER A 16 2.193 -13.556 -18.289 1.00 54.31 H new ATOM 0 HG SER A 16 4.533 -13.637 -19.947 1.00 3.52 H new ATOM 234 N SER A 17 6.181 -15.238 -17.160 1.00 13.42 N ATOM 235 CA SER A 17 7.572 -15.522 -17.491 1.00 71.15 C ATOM 236 C SER A 17 8.006 -16.864 -16.909 1.00 11.43 C ATOM 237 O SER A 17 9.072 -17.382 -17.242 1.00 5.31 O ATOM 238 CB SER A 17 8.481 -14.408 -16.969 1.00 30.12 C ATOM 239 OG SER A 17 8.488 -13.300 -17.851 1.00 42.54 O ATOM 0 H SER A 17 5.987 -15.190 -16.160 1.00 13.42 H new ATOM 0 HA SER A 17 7.658 -15.572 -18.576 1.00 71.15 H new ATOM 0 HB2 SER A 17 8.142 -14.090 -15.983 1.00 30.12 H new ATOM 0 HB3 SER A 17 9.496 -14.788 -16.850 1.00 30.12 H new ATOM 0 HG SER A 17 8.870 -12.521 -17.395 1.00 42.54 H new ATOM 245 N CYS A 18 7.172 -17.420 -16.037 1.00 62.22 N ATOM 246 CA CYS A 18 7.469 -18.701 -15.406 1.00 72.43 C ATOM 247 C CYS A 18 6.271 -19.641 -15.494 1.00 73.14 C ATOM 248 O CYS A 18 6.089 -20.511 -14.643 1.00 15.43 O ATOM 249 CB CYS A 18 7.863 -18.494 -13.943 1.00 40.13 C ATOM 250 SG CYS A 18 9.179 -17.278 -13.699 1.00 31.23 S ATOM 0 H CYS A 18 6.286 -17.004 -15.751 1.00 62.22 H new ATOM 0 HA CYS A 18 8.305 -19.155 -15.939 1.00 72.43 H new ATOM 0 HB2 CYS A 18 6.983 -18.179 -13.382 1.00 40.13 H new ATOM 0 HB3 CYS A 18 8.183 -19.449 -13.525 1.00 40.13 H new ATOM 0 HG CYS A 18 10.324 -17.888 -13.618 1.00 31.23 H new ATOM 256 N GLN A 19 5.457 -19.458 -16.529 1.00 73.41 N ATOM 257 CA GLN A 19 4.275 -20.289 -16.726 1.00 55.24 C ATOM 258 C GLN A 19 4.474 -21.252 -17.892 1.00 23.13 C ATOM 259 O GLN A 19 3.851 -22.312 -17.947 1.00 44.03 O ATOM 260 CB GLN A 19 3.046 -19.413 -16.978 1.00 42.32 C ATOM 261 CG GLN A 19 2.818 -18.362 -15.904 1.00 34.04 C ATOM 262 CD GLN A 19 2.174 -18.934 -14.656 1.00 1.12 C ATOM 263 OE1 GLN A 19 0.969 -18.793 -14.444 1.00 62.24 O ATOM 264 NE2 GLN A 19 2.976 -19.584 -13.821 1.00 20.23 N ATOM 0 H GLN A 19 5.594 -18.743 -17.243 1.00 73.41 H new ATOM 0 HA GLN A 19 4.118 -20.873 -15.819 1.00 55.24 H new ATOM 0 HB2 GLN A 19 3.155 -18.917 -17.943 1.00 42.32 H new ATOM 0 HB3 GLN A 19 2.164 -20.050 -17.045 1.00 42.32 H new ATOM 0 HG2 GLN A 19 3.772 -17.905 -15.640 1.00 34.04 H new ATOM 0 HG3 GLN A 19 2.185 -17.570 -16.304 1.00 34.04 H new ATOM 0 HE21 GLN A 19 3.969 -19.677 -14.036 1.00 20.23 H new ATOM 0 HE22 GLN A 19 2.599 -19.990 -12.965 1.00 20.23 H new ATOM 273 N ALA A 20 5.347 -20.876 -18.821 1.00 32.00 N ATOM 274 CA ALA A 20 5.630 -21.707 -19.984 1.00 73.43 C ATOM 275 C ALA A 20 6.501 -22.901 -19.607 1.00 75.14 C ATOM 276 O ALA A 20 6.724 -23.171 -18.428 1.00 13.55 O ATOM 277 CB ALA A 20 6.303 -20.883 -21.071 1.00 41.32 C ATOM 0 H ALA A 20 5.870 -20.001 -18.790 1.00 32.00 H new ATOM 0 HA ALA A 20 4.683 -22.088 -20.366 1.00 73.43 H new ATOM 0 HB1 ALA A 20 6.508 -21.517 -21.934 1.00 41.32 H new ATOM 0 HB2 ALA A 20 5.645 -20.067 -21.369 1.00 41.32 H new ATOM 0 HB3 ALA A 20 7.239 -20.474 -20.690 1.00 41.32 H new ATOM 283 N ALA A 21 6.989 -23.613 -20.617 1.00 63.52 N ATOM 284 CA ALA A 21 7.837 -24.778 -20.391 1.00 52.31 C ATOM 285 C ALA A 21 9.313 -24.409 -20.487 1.00 3.34 C ATOM 286 O ALA A 21 10.170 -25.084 -19.916 1.00 71.41 O ATOM 287 CB ALA A 21 7.500 -25.877 -21.388 1.00 30.15 C ATOM 0 H ALA A 21 6.812 -23.404 -21.600 1.00 63.52 H new ATOM 0 HA ALA A 21 7.646 -25.146 -19.383 1.00 52.31 H new ATOM 0 HB1 ALA A 21 8.140 -26.740 -21.208 1.00 30.15 H new ATOM 0 HB2 ALA A 21 6.456 -26.168 -21.270 1.00 30.15 H new ATOM 0 HB3 ALA A 21 7.662 -25.511 -22.402 1.00 30.15 H new ATOM 293 N ASP A 22 9.604 -23.334 -21.211 1.00 50.01 N ATOM 294 CA ASP A 22 10.978 -22.875 -21.381 1.00 33.00 C ATOM 295 C ASP A 22 11.072 -21.363 -21.200 1.00 72.23 C ATOM 296 O ASP A 22 11.818 -20.689 -21.910 1.00 1.54 O ATOM 297 CB ASP A 22 11.503 -23.270 -22.762 1.00 52.32 C ATOM 298 CG ASP A 22 10.546 -22.890 -23.875 1.00 60.54 C ATOM 299 OD1 ASP A 22 9.551 -23.618 -24.076 1.00 2.04 O ATOM 300 OD2 ASP A 22 10.792 -21.867 -24.547 1.00 5.40 O ATOM 0 H ASP A 22 8.907 -22.764 -21.690 1.00 50.01 H new ATOM 0 HA ASP A 22 11.592 -23.353 -20.618 1.00 33.00 H new ATOM 0 HB2 ASP A 22 12.465 -22.787 -22.933 1.00 52.32 H new ATOM 0 HB3 ASP A 22 11.677 -24.346 -22.788 1.00 52.32 H new ATOM 305 N SER A 23 10.309 -20.838 -20.247 1.00 2.41 N ATOM 306 CA SER A 23 10.303 -19.405 -19.976 1.00 52.21 C ATOM 307 C SER A 23 11.079 -19.089 -18.701 1.00 70.41 C ATOM 308 O SER A 23 11.678 -18.021 -18.573 1.00 71.33 O ATOM 309 CB SER A 23 8.866 -18.894 -19.852 1.00 30.34 C ATOM 310 OG SER A 23 8.828 -17.478 -19.825 1.00 5.10 O ATOM 0 H SER A 23 9.687 -21.383 -19.650 1.00 2.41 H new ATOM 0 HA SER A 23 10.790 -18.901 -20.811 1.00 52.21 H new ATOM 0 HB2 SER A 23 8.273 -19.261 -20.690 1.00 30.34 H new ATOM 0 HB3 SER A 23 8.413 -19.290 -18.943 1.00 30.34 H new ATOM 0 HG SER A 23 9.273 -17.154 -19.014 1.00 5.10 H new ATOM 316 N PHE A 24 11.064 -20.027 -17.759 1.00 54.14 N ATOM 317 CA PHE A 24 11.765 -19.850 -16.493 1.00 34.00 C ATOM 318 C PHE A 24 13.147 -20.493 -16.542 1.00 64.24 C ATOM 319 O PHE A 24 13.332 -21.628 -16.105 1.00 34.10 O ATOM 320 CB PHE A 24 10.950 -20.453 -15.346 1.00 41.44 C ATOM 321 CG PHE A 24 11.678 -20.459 -14.033 1.00 1.34 C ATOM 322 CD1 PHE A 24 12.221 -19.291 -13.521 1.00 30.11 C ATOM 323 CD2 PHE A 24 11.819 -21.632 -13.309 1.00 51.11 C ATOM 324 CE1 PHE A 24 12.892 -19.294 -12.313 1.00 30.33 C ATOM 325 CE2 PHE A 24 12.489 -21.641 -12.100 1.00 34.11 C ATOM 326 CZ PHE A 24 13.025 -20.470 -11.601 1.00 31.53 C ATOM 0 H PHE A 24 10.574 -20.917 -17.849 1.00 54.14 H new ATOM 0 HA PHE A 24 11.887 -18.781 -16.320 1.00 34.00 H new ATOM 0 HB2 PHE A 24 10.022 -19.891 -15.236 1.00 41.44 H new ATOM 0 HB3 PHE A 24 10.675 -21.476 -15.605 1.00 41.44 H new ATOM 0 HD1 PHE A 24 12.118 -18.368 -14.072 1.00 30.11 H new ATOM 0 HD2 PHE A 24 11.400 -22.550 -13.694 1.00 51.11 H new ATOM 0 HE1 PHE A 24 13.312 -18.377 -11.926 1.00 30.33 H new ATOM 0 HE2 PHE A 24 12.593 -22.562 -11.546 1.00 34.11 H new ATOM 0 HZ PHE A 24 13.547 -20.474 -10.656 1.00 31.53 H new ATOM 336 N ASN A 25 14.116 -19.759 -17.079 1.00 43.41 N ATOM 337 CA ASN A 25 15.483 -20.257 -17.187 1.00 53.14 C ATOM 338 C ASN A 25 16.357 -19.694 -16.071 1.00 20.11 C ATOM 339 O ASN A 25 15.857 -19.092 -15.120 1.00 61.13 O ATOM 340 CB ASN A 25 16.075 -19.889 -18.549 1.00 64.21 C ATOM 341 CG ASN A 25 16.607 -18.469 -18.584 1.00 75.11 C ATOM 342 OD1 ASN A 25 17.816 -18.248 -18.638 1.00 64.32 O ATOM 343 ND2 ASN A 25 15.701 -17.498 -18.553 1.00 22.10 N ATOM 0 H ASN A 25 13.980 -18.817 -17.446 1.00 43.41 H new ATOM 0 HA ASN A 25 15.457 -21.342 -17.091 1.00 53.14 H new ATOM 0 HB2 ASN A 25 16.881 -20.582 -18.791 1.00 64.21 H new ATOM 0 HB3 ASN A 25 15.311 -20.007 -19.318 1.00 64.21 H new ATOM 0 HD21 ASN A 25 15.998 -16.522 -18.574 1.00 22.10 H new ATOM 0 HD22 ASN A 25 14.708 -17.728 -18.508 1.00 22.10 H new ATOM 350 N TYR A 26 17.664 -19.894 -16.194 1.00 5.34 N ATOM 351 CA TYR A 26 18.609 -19.408 -15.194 1.00 52.04 C ATOM 352 C TYR A 26 18.546 -17.888 -15.079 1.00 33.14 C ATOM 353 O TYR A 26 18.738 -17.327 -14.000 1.00 1.32 O ATOM 354 CB TYR A 26 20.031 -19.845 -15.551 1.00 54.21 C ATOM 355 CG TYR A 26 20.459 -19.436 -16.942 1.00 54.24 C ATOM 356 CD1 TYR A 26 20.995 -18.177 -17.184 1.00 20.21 C ATOM 357 CD2 TYR A 26 20.327 -20.309 -18.015 1.00 44.15 C ATOM 358 CE1 TYR A 26 21.387 -17.799 -18.454 1.00 34.24 C ATOM 359 CE2 TYR A 26 20.718 -19.940 -19.288 1.00 53.03 C ATOM 360 CZ TYR A 26 21.246 -18.684 -19.502 1.00 62.04 C ATOM 361 OH TYR A 26 21.636 -18.312 -20.768 1.00 44.24 O ATOM 0 H TYR A 26 18.094 -20.389 -16.975 1.00 5.34 H new ATOM 0 HA TYR A 26 18.334 -19.839 -14.231 1.00 52.04 H new ATOM 0 HB2 TYR A 26 20.725 -19.420 -14.827 1.00 54.21 H new ATOM 0 HB3 TYR A 26 20.102 -20.929 -15.462 1.00 54.21 H new ATOM 0 HD1 TYR A 26 21.107 -17.482 -16.365 1.00 20.21 H new ATOM 0 HD2 TYR A 26 19.912 -21.292 -17.851 1.00 44.15 H new ATOM 0 HE1 TYR A 26 21.801 -16.816 -18.625 1.00 34.24 H new ATOM 0 HE2 TYR A 26 20.611 -20.631 -20.111 1.00 53.03 H new ATOM 0 HH TYR A 26 21.471 -19.050 -21.391 1.00 44.24 H new ATOM 371 N LYS A 27 18.274 -17.227 -16.199 1.00 11.25 N ATOM 372 CA LYS A 27 18.183 -15.772 -16.226 1.00 14.14 C ATOM 373 C LYS A 27 16.875 -15.297 -15.599 1.00 44.02 C ATOM 374 O LYS A 27 16.846 -14.294 -14.886 1.00 23.32 O ATOM 375 CB LYS A 27 18.286 -15.261 -17.664 1.00 44.53 C ATOM 376 CG LYS A 27 19.713 -14.996 -18.114 1.00 53.52 C ATOM 377 CD LYS A 27 20.082 -13.529 -17.964 1.00 34.24 C ATOM 378 CE LYS A 27 21.206 -13.137 -18.910 1.00 73.23 C ATOM 379 NZ LYS A 27 22.509 -13.727 -18.498 1.00 23.12 N ATOM 0 H LYS A 27 18.113 -17.676 -17.100 1.00 11.25 H new ATOM 0 HA LYS A 27 19.012 -15.370 -15.644 1.00 14.14 H new ATOM 0 HB2 LYS A 27 17.832 -15.991 -18.334 1.00 44.53 H new ATOM 0 HB3 LYS A 27 17.708 -14.342 -17.756 1.00 44.53 H new ATOM 0 HG2 LYS A 27 20.400 -15.607 -17.528 1.00 53.52 H new ATOM 0 HG3 LYS A 27 19.829 -15.297 -19.155 1.00 53.52 H new ATOM 0 HD2 LYS A 27 19.206 -12.911 -18.162 1.00 34.24 H new ATOM 0 HD3 LYS A 27 20.385 -13.332 -16.936 1.00 34.24 H new ATOM 0 HE2 LYS A 27 20.962 -13.466 -19.920 1.00 73.23 H new ATOM 0 HE3 LYS A 27 21.293 -12.051 -18.941 1.00 73.23 H new ATOM 0 HZ1 LYS A 27 23.249 -13.436 -19.168 1.00 23.12 H new ATOM 0 HZ2 LYS A 27 22.755 -13.393 -17.544 1.00 23.12 H new ATOM 0 HZ3 LYS A 27 22.434 -14.764 -18.493 1.00 23.12 H new ATOM 393 N SER A 28 15.796 -16.024 -15.870 1.00 22.44 N ATOM 394 CA SER A 28 14.485 -15.676 -15.334 1.00 45.31 C ATOM 395 C SER A 28 14.512 -15.645 -13.809 1.00 23.41 C ATOM 396 O SER A 28 13.752 -14.911 -13.178 1.00 33.44 O ATOM 397 CB SER A 28 13.432 -16.674 -15.817 1.00 53.02 C ATOM 398 OG SER A 28 12.890 -16.280 -17.066 1.00 2.40 O ATOM 0 H SER A 28 15.804 -16.858 -16.458 1.00 22.44 H new ATOM 0 HA SER A 28 14.225 -14.681 -15.695 1.00 45.31 H new ATOM 0 HB2 SER A 28 13.879 -17.664 -15.907 1.00 53.02 H new ATOM 0 HB3 SER A 28 12.634 -16.751 -15.079 1.00 53.02 H new ATOM 0 HG SER A 28 12.517 -17.063 -17.522 1.00 2.40 H new ATOM 404 N PHE A 29 15.394 -16.449 -13.223 1.00 1.40 N ATOM 405 CA PHE A 29 15.521 -16.516 -11.772 1.00 13.22 C ATOM 406 C PHE A 29 16.258 -15.293 -11.233 1.00 32.20 C ATOM 407 O PHE A 29 16.005 -14.845 -10.115 1.00 12.34 O ATOM 408 CB PHE A 29 16.258 -17.792 -11.361 1.00 44.15 C ATOM 409 CG PHE A 29 16.500 -17.896 -9.883 1.00 15.24 C ATOM 410 CD1 PHE A 29 17.611 -17.304 -9.305 1.00 42.23 C ATOM 411 CD2 PHE A 29 15.615 -18.586 -9.070 1.00 13.12 C ATOM 412 CE1 PHE A 29 17.836 -17.397 -7.945 1.00 30.14 C ATOM 413 CE2 PHE A 29 15.834 -18.682 -7.709 1.00 31.23 C ATOM 414 CZ PHE A 29 16.947 -18.088 -7.146 1.00 35.25 C ATOM 0 H PHE A 29 16.031 -17.063 -13.731 1.00 1.40 H new ATOM 0 HA PHE A 29 14.518 -16.531 -11.345 1.00 13.22 H new ATOM 0 HB2 PHE A 29 15.680 -18.657 -11.688 1.00 44.15 H new ATOM 0 HB3 PHE A 29 17.215 -17.833 -11.881 1.00 44.15 H new ATOM 0 HD1 PHE A 29 18.310 -16.763 -9.925 1.00 42.23 H new ATOM 0 HD2 PHE A 29 14.744 -19.054 -9.505 1.00 13.12 H new ATOM 0 HE1 PHE A 29 18.706 -16.930 -7.508 1.00 30.14 H new ATOM 0 HE2 PHE A 29 15.136 -19.221 -7.086 1.00 31.23 H new ATOM 0 HZ PHE A 29 17.121 -18.164 -6.083 1.00 35.25 H new ATOM 424 N PHE A 30 17.171 -14.759 -12.037 1.00 5.04 N ATOM 425 CA PHE A 30 17.947 -13.589 -11.641 1.00 63.31 C ATOM 426 C PHE A 30 17.090 -12.328 -11.685 1.00 0.32 C ATOM 427 O PHE A 30 17.225 -11.443 -10.840 1.00 45.42 O ATOM 428 CB PHE A 30 19.164 -13.425 -12.555 1.00 14.12 C ATOM 429 CG PHE A 30 20.167 -14.535 -12.423 1.00 11.22 C ATOM 430 CD1 PHE A 30 20.510 -15.032 -11.176 1.00 12.34 C ATOM 431 CD2 PHE A 30 20.767 -15.082 -13.546 1.00 13.43 C ATOM 432 CE1 PHE A 30 21.433 -16.052 -11.051 1.00 63.44 C ATOM 433 CE2 PHE A 30 21.691 -16.103 -13.428 1.00 13.23 C ATOM 434 CZ PHE A 30 22.024 -16.589 -12.179 1.00 34.51 C ATOM 0 H PHE A 30 17.392 -15.117 -12.966 1.00 5.04 H new ATOM 0 HA PHE A 30 18.288 -13.739 -10.617 1.00 63.31 H new ATOM 0 HB2 PHE A 30 18.826 -13.372 -13.590 1.00 14.12 H new ATOM 0 HB3 PHE A 30 19.652 -12.477 -12.330 1.00 14.12 H new ATOM 0 HD1 PHE A 30 20.050 -14.617 -10.291 1.00 12.34 H new ATOM 0 HD2 PHE A 30 20.509 -14.706 -14.525 1.00 13.43 H new ATOM 0 HE1 PHE A 30 21.693 -16.429 -10.073 1.00 63.44 H new ATOM 0 HE2 PHE A 30 22.152 -16.520 -14.311 1.00 13.23 H new ATOM 0 HZ PHE A 30 22.745 -17.387 -12.084 1.00 34.51 H new ATOM 444 N SER A 31 16.208 -12.253 -12.676 1.00 72.12 N ATOM 445 CA SER A 31 15.331 -11.099 -12.834 1.00 11.22 C ATOM 446 C SER A 31 13.936 -11.399 -12.294 1.00 12.50 C ATOM 447 O SER A 31 12.955 -10.767 -12.689 1.00 32.40 O ATOM 448 CB SER A 31 15.244 -10.695 -14.307 1.00 2.01 C ATOM 449 OG SER A 31 15.611 -9.338 -14.486 1.00 53.12 O ATOM 0 H SER A 31 16.082 -12.978 -13.382 1.00 72.12 H new ATOM 0 HA SER A 31 15.753 -10.272 -12.263 1.00 11.22 H new ATOM 0 HB2 SER A 31 15.898 -11.333 -14.902 1.00 2.01 H new ATOM 0 HB3 SER A 31 14.229 -10.851 -14.671 1.00 2.01 H new ATOM 0 HG SER A 31 15.549 -9.105 -15.436 1.00 53.12 H new ATOM 455 N THR A 32 13.854 -12.367 -11.387 1.00 64.43 N ATOM 456 CA THR A 32 12.581 -12.753 -10.793 1.00 72.20 C ATOM 457 C THR A 32 11.834 -11.538 -10.255 1.00 45.32 C ATOM 458 O THR A 32 12.398 -10.449 -10.145 1.00 43.14 O ATOM 459 CB THR A 32 12.778 -13.767 -9.650 1.00 62.25 C ATOM 460 OG1 THR A 32 11.514 -14.308 -9.251 1.00 54.51 O ATOM 461 CG2 THR A 32 13.455 -13.112 -8.456 1.00 42.12 C ATOM 0 H THR A 32 14.656 -12.899 -11.048 1.00 64.43 H new ATOM 0 HA THR A 32 11.992 -13.218 -11.584 1.00 72.20 H new ATOM 0 HB THR A 32 13.418 -14.571 -10.014 1.00 62.25 H new ATOM 0 HG1 THR A 32 11.649 -14.953 -8.525 1.00 54.51 H new ATOM 0 HG21 THR A 32 13.583 -13.847 -7.662 1.00 42.12 H new ATOM 0 HG22 THR A 32 14.430 -12.728 -8.756 1.00 42.12 H new ATOM 0 HG23 THR A 32 12.837 -12.290 -8.093 1.00 42.12 H new ATOM 469 N VAL A 33 10.563 -11.730 -9.920 1.00 74.51 N ATOM 470 CA VAL A 33 9.739 -10.650 -9.391 1.00 40.35 C ATOM 471 C VAL A 33 10.421 -9.965 -8.213 1.00 24.04 C ATOM 472 O VAL A 33 10.145 -8.805 -7.910 1.00 35.34 O ATOM 473 CB VAL A 33 8.358 -11.164 -8.943 1.00 61.12 C ATOM 474 CG1 VAL A 33 8.507 -12.399 -8.067 1.00 54.42 C ATOM 475 CG2 VAL A 33 7.594 -10.070 -8.212 1.00 62.34 C ATOM 0 H VAL A 33 10.081 -12.625 -10.006 1.00 74.51 H new ATOM 0 HA VAL A 33 9.605 -9.930 -10.198 1.00 40.35 H new ATOM 0 HB VAL A 33 7.788 -11.443 -9.829 1.00 61.12 H new ATOM 0 HG11 VAL A 33 7.521 -12.748 -7.760 1.00 54.42 H new ATOM 0 HG12 VAL A 33 9.012 -13.185 -8.629 1.00 54.42 H new ATOM 0 HG13 VAL A 33 9.095 -12.150 -7.184 1.00 54.42 H new ATOM 0 HG21 VAL A 33 6.621 -10.451 -7.903 1.00 62.34 H new ATOM 0 HG22 VAL A 33 8.158 -9.758 -7.333 1.00 62.34 H new ATOM 0 HG23 VAL A 33 7.456 -9.217 -8.876 1.00 62.34 H new ATOM 485 N GLY A 34 11.316 -10.692 -7.550 1.00 44.31 N ATOM 486 CA GLY A 34 12.025 -10.138 -6.411 1.00 44.35 C ATOM 487 C GLY A 34 11.370 -10.493 -5.092 1.00 22.14 C ATOM 488 O GLY A 34 11.365 -9.691 -4.157 1.00 31.24 O ATOM 0 H GLY A 34 11.562 -11.654 -7.781 1.00 44.31 H new ATOM 0 HA2 GLY A 34 13.052 -10.504 -6.413 1.00 44.35 H new ATOM 0 HA3 GLY A 34 12.073 -9.053 -6.509 1.00 44.35 H new ATOM 492 N LEU A 35 10.814 -11.697 -5.014 1.00 64.12 N ATOM 493 CA LEU A 35 10.151 -12.157 -3.799 1.00 1.00 C ATOM 494 C LEU A 35 10.796 -13.438 -3.278 1.00 55.33 C ATOM 495 O LEU A 35 11.059 -13.570 -2.083 1.00 63.22 O ATOM 496 CB LEU A 35 8.663 -12.393 -4.064 1.00 42.45 C ATOM 497 CG LEU A 35 7.692 -11.601 -3.189 1.00 15.32 C ATOM 498 CD1 LEU A 35 6.256 -12.012 -3.477 1.00 42.05 C ATOM 499 CD2 LEU A 35 8.019 -11.798 -1.716 1.00 11.11 C ATOM 0 H LEU A 35 10.809 -12.373 -5.778 1.00 64.12 H new ATOM 0 HA LEU A 35 10.260 -11.382 -3.040 1.00 1.00 H new ATOM 0 HB2 LEU A 35 8.458 -12.154 -5.108 1.00 42.45 H new ATOM 0 HB3 LEU A 35 8.455 -13.455 -3.933 1.00 42.45 H new ATOM 0 HG LEU A 35 7.800 -10.543 -3.427 1.00 15.32 H new ATOM 0 HD11 LEU A 35 5.579 -11.437 -2.845 1.00 42.05 H new ATOM 0 HD12 LEU A 35 6.025 -11.819 -4.525 1.00 42.05 H new ATOM 0 HD13 LEU A 35 6.133 -13.075 -3.268 1.00 42.05 H new ATOM 0 HD21 LEU A 35 7.318 -11.227 -1.108 1.00 11.11 H new ATOM 0 HD22 LEU A 35 7.940 -12.856 -1.464 1.00 11.11 H new ATOM 0 HD23 LEU A 35 9.034 -11.453 -1.519 1.00 11.11 H new ATOM 511 N SER A 36 11.048 -14.377 -4.184 1.00 22.43 N ATOM 512 CA SER A 36 11.661 -15.649 -3.816 1.00 14.44 C ATOM 513 C SER A 36 13.083 -15.439 -3.306 1.00 43.12 C ATOM 514 O SER A 36 13.632 -16.283 -2.598 1.00 72.43 O ATOM 515 CB SER A 36 11.671 -16.600 -5.014 1.00 11.22 C ATOM 516 OG SER A 36 10.596 -16.323 -5.894 1.00 54.42 O ATOM 0 H SER A 36 10.838 -14.282 -5.178 1.00 22.43 H new ATOM 0 HA SER A 36 11.069 -16.092 -3.015 1.00 14.44 H new ATOM 0 HB2 SER A 36 12.616 -16.506 -5.549 1.00 11.22 H new ATOM 0 HB3 SER A 36 11.603 -17.630 -4.665 1.00 11.22 H new ATOM 0 HG SER A 36 10.626 -16.943 -6.652 1.00 54.42 H new ATOM 522 N SER A 37 13.675 -14.306 -3.672 1.00 22.30 N ATOM 523 CA SER A 37 15.036 -13.986 -3.256 1.00 54.20 C ATOM 524 C SER A 37 15.044 -12.803 -2.292 1.00 65.12 C ATOM 525 O SER A 37 15.925 -11.945 -2.351 1.00 43.04 O ATOM 526 CB SER A 37 15.904 -13.671 -4.476 1.00 14.32 C ATOM 527 OG SER A 37 15.713 -12.334 -4.906 1.00 11.02 O ATOM 0 H SER A 37 13.234 -13.595 -4.255 1.00 22.30 H new ATOM 0 HA SER A 37 15.447 -14.855 -2.742 1.00 54.20 H new ATOM 0 HB2 SER A 37 16.954 -13.831 -4.230 1.00 14.32 H new ATOM 0 HB3 SER A 37 15.659 -14.356 -5.288 1.00 14.32 H new ATOM 0 HG SER A 37 15.987 -11.719 -4.194 1.00 11.02 H new ATOM 533 N LYS A 38 14.057 -12.765 -1.404 1.00 1.41 N ATOM 534 CA LYS A 38 13.949 -11.689 -0.425 1.00 63.31 C ATOM 535 C LYS A 38 14.221 -12.207 0.984 1.00 42.22 C ATOM 536 O LYS A 38 14.366 -13.411 1.197 1.00 3.04 O ATOM 537 CB LYS A 38 12.559 -11.053 -0.487 1.00 32.22 C ATOM 538 CG LYS A 38 12.445 -9.938 -1.512 1.00 1.03 C ATOM 539 CD LYS A 38 13.287 -8.734 -1.122 1.00 71.50 C ATOM 540 CE LYS A 38 13.151 -7.608 -2.135 1.00 63.00 C ATOM 541 NZ LYS A 38 12.695 -6.342 -1.498 1.00 53.44 N ATOM 0 H LYS A 38 13.320 -13.467 -1.342 1.00 1.41 H new ATOM 0 HA LYS A 38 14.698 -10.934 -0.667 1.00 63.31 H new ATOM 0 HB2 LYS A 38 11.826 -11.825 -0.719 1.00 32.22 H new ATOM 0 HB3 LYS A 38 12.305 -10.658 0.497 1.00 32.22 H new ATOM 0 HG2 LYS A 38 12.764 -10.305 -2.488 1.00 1.03 H new ATOM 0 HG3 LYS A 38 11.402 -9.637 -1.610 1.00 1.03 H new ATOM 0 HD2 LYS A 38 12.982 -8.378 -0.138 1.00 71.50 H new ATOM 0 HD3 LYS A 38 14.333 -9.030 -1.044 1.00 71.50 H new ATOM 0 HE2 LYS A 38 14.110 -7.443 -2.626 1.00 63.00 H new ATOM 0 HE3 LYS A 38 12.443 -7.900 -2.910 1.00 63.00 H new ATOM 0 HZ1 LYS A 38 12.203 -5.756 -2.203 1.00 53.44 H new ATOM 0 HZ2 LYS A 38 12.046 -6.561 -0.716 1.00 53.44 H new ATOM 0 HZ3 LYS A 38 13.517 -5.823 -1.130 1.00 53.44 H new ATOM 555 N THR A 39 14.288 -11.290 1.944 1.00 53.51 N ATOM 556 CA THR A 39 14.542 -11.653 3.332 1.00 35.21 C ATOM 557 C THR A 39 13.253 -12.055 4.040 1.00 74.44 C ATOM 558 O THR A 39 12.155 -11.647 3.661 1.00 13.41 O ATOM 559 CB THR A 39 15.198 -10.494 4.105 1.00 21.15 C ATOM 560 OG1 THR A 39 16.419 -10.937 4.708 1.00 2.22 O ATOM 561 CG2 THR A 39 14.261 -9.960 5.179 1.00 63.43 C ATOM 0 H THR A 39 14.170 -10.289 1.785 1.00 53.51 H new ATOM 0 HA THR A 39 15.225 -12.502 3.316 1.00 35.21 H new ATOM 0 HB THR A 39 15.411 -9.691 3.400 1.00 21.15 H new ATOM 0 HG1 THR A 39 16.831 -10.194 5.196 1.00 2.22 H new ATOM 0 HG21 THR A 39 14.746 -9.142 5.711 1.00 63.43 H new ATOM 0 HG22 THR A 39 13.344 -9.597 4.714 1.00 63.43 H new ATOM 0 HG23 THR A 39 14.020 -10.758 5.881 1.00 63.43 H new ATOM 569 N PRO A 40 13.386 -12.875 5.093 1.00 73.43 N ATOM 570 CA PRO A 40 12.241 -13.350 5.876 1.00 3.23 C ATOM 571 C PRO A 40 11.601 -12.237 6.699 1.00 21.23 C ATOM 572 O PRO A 40 11.742 -12.197 7.922 1.00 41.43 O ATOM 573 CB PRO A 40 12.855 -14.409 6.795 1.00 21.20 C ATOM 574 CG PRO A 40 14.288 -14.019 6.918 1.00 33.44 C ATOM 575 CD PRO A 40 14.664 -13.402 5.600 1.00 71.22 C ATOM 0 HA PRO A 40 11.441 -13.730 5.240 1.00 3.23 H new ATOM 0 HB2 PRO A 40 12.363 -14.422 7.768 1.00 21.20 H new ATOM 0 HB3 PRO A 40 12.752 -15.408 6.372 1.00 21.20 H new ATOM 0 HG2 PRO A 40 14.431 -13.312 7.735 1.00 33.44 H new ATOM 0 HG3 PRO A 40 14.911 -14.887 7.135 1.00 33.44 H new ATOM 0 HD2 PRO A 40 15.404 -12.611 5.723 1.00 71.22 H new ATOM 0 HD3 PRO A 40 15.093 -14.138 4.920 1.00 71.22 H new ATOM 583 N ASP A 41 10.897 -11.337 6.022 1.00 3.20 N ATOM 584 CA ASP A 41 10.234 -10.224 6.691 1.00 12.03 C ATOM 585 C ASP A 41 9.464 -9.368 5.690 1.00 63.42 C ATOM 586 O ASP A 41 8.429 -8.790 6.020 1.00 22.40 O ATOM 587 CB ASP A 41 11.257 -9.364 7.435 1.00 65.53 C ATOM 588 CG ASP A 41 10.809 -9.016 8.840 1.00 0.23 C ATOM 589 OD1 ASP A 41 10.840 -9.910 9.711 1.00 10.13 O ATOM 590 OD2 ASP A 41 10.426 -7.849 9.069 1.00 22.11 O ATOM 0 H ASP A 41 10.771 -11.356 5.010 1.00 3.20 H new ATOM 0 HA ASP A 41 9.526 -10.636 7.410 1.00 12.03 H new ATOM 0 HB2 ASP A 41 12.208 -9.895 7.481 1.00 65.53 H new ATOM 0 HB3 ASP A 41 11.431 -8.446 6.875 1.00 65.53 H new ATOM 595 N GLN A 42 9.978 -9.292 4.466 1.00 21.24 N ATOM 596 CA GLN A 42 9.340 -8.505 3.418 1.00 74.52 C ATOM 597 C GLN A 42 8.277 -9.325 2.693 1.00 62.11 C ATOM 598 O GLN A 42 7.266 -8.787 2.241 1.00 33.15 O ATOM 599 CB GLN A 42 10.384 -8.005 2.419 1.00 63.02 C ATOM 600 CG GLN A 42 11.538 -7.258 3.068 1.00 50.31 C ATOM 601 CD GLN A 42 12.650 -6.937 2.089 1.00 50.31 C ATOM 602 OE1 GLN A 42 13.601 -7.704 1.939 1.00 62.14 O ATOM 603 NE2 GLN A 42 12.536 -5.798 1.416 1.00 40.32 N ATOM 0 H GLN A 42 10.834 -9.766 4.176 1.00 21.24 H new ATOM 0 HA GLN A 42 8.856 -7.648 3.886 1.00 74.52 H new ATOM 0 HB2 GLN A 42 10.779 -8.855 1.863 1.00 63.02 H new ATOM 0 HB3 GLN A 42 9.898 -7.349 1.696 1.00 63.02 H new ATOM 0 HG2 GLN A 42 11.166 -6.332 3.506 1.00 50.31 H new ATOM 0 HG3 GLN A 42 11.940 -7.857 3.885 1.00 50.31 H new ATOM 0 HE21 GLN A 42 11.730 -5.192 1.572 1.00 40.32 H new ATOM 0 HE22 GLN A 42 13.254 -5.529 0.743 1.00 40.32 H new ATOM 612 N ILE A 43 8.514 -10.628 2.585 1.00 72.00 N ATOM 613 CA ILE A 43 7.577 -11.521 1.915 1.00 35.34 C ATOM 614 C ILE A 43 6.196 -11.451 2.558 1.00 35.02 C ATOM 615 O ILE A 43 5.191 -11.245 1.877 1.00 11.40 O ATOM 616 CB ILE A 43 8.070 -12.980 1.944 1.00 3.24 C ATOM 617 CG1 ILE A 43 9.445 -13.089 1.282 1.00 41.02 C ATOM 618 CG2 ILE A 43 7.069 -13.892 1.252 1.00 14.11 C ATOM 619 CD1 ILE A 43 10.094 -14.444 1.457 1.00 62.13 C ATOM 0 H ILE A 43 9.347 -11.089 2.953 1.00 72.00 H new ATOM 0 HA ILE A 43 7.511 -11.189 0.879 1.00 35.34 H new ATOM 0 HB ILE A 43 8.161 -13.297 2.983 1.00 3.24 H new ATOM 0 HG12 ILE A 43 9.344 -12.878 0.217 1.00 41.02 H new ATOM 0 HG13 ILE A 43 10.101 -12.324 1.698 1.00 41.02 H new ATOM 0 HG21 ILE A 43 7.432 -14.919 1.281 1.00 14.11 H new ATOM 0 HG22 ILE A 43 6.108 -13.832 1.763 1.00 14.11 H new ATOM 0 HG23 ILE A 43 6.948 -13.579 0.215 1.00 14.11 H new ATOM 0 HD11 ILE A 43 11.065 -14.449 0.962 1.00 62.13 H new ATOM 0 HD12 ILE A 43 10.227 -14.649 2.519 1.00 62.13 H new ATOM 0 HD13 ILE A 43 9.458 -15.212 1.016 1.00 62.13 H new ATOM 631 N LYS A 44 6.153 -11.622 3.875 1.00 34.31 N ATOM 632 CA LYS A 44 4.896 -11.576 4.613 1.00 53.53 C ATOM 633 C LYS A 44 4.154 -10.270 4.342 1.00 62.42 C ATOM 634 O LYS A 44 2.943 -10.267 4.119 1.00 3.32 O ATOM 635 CB LYS A 44 5.155 -11.725 6.113 1.00 4.14 C ATOM 636 CG LYS A 44 6.275 -10.837 6.628 1.00 15.55 C ATOM 637 CD LYS A 44 6.438 -10.962 8.134 1.00 64.21 C ATOM 638 CE LYS A 44 6.035 -9.681 8.847 1.00 1.13 C ATOM 639 NZ LYS A 44 4.624 -9.304 8.555 1.00 4.12 N ATOM 0 H LYS A 44 6.975 -11.794 4.454 1.00 34.31 H new ATOM 0 HA LYS A 44 4.274 -12.405 4.274 1.00 53.53 H new ATOM 0 HB2 LYS A 44 4.239 -11.492 6.656 1.00 4.14 H new ATOM 0 HB3 LYS A 44 5.399 -12.765 6.330 1.00 4.14 H new ATOM 0 HG2 LYS A 44 7.210 -11.107 6.136 1.00 15.55 H new ATOM 0 HG3 LYS A 44 6.066 -9.799 6.369 1.00 15.55 H new ATOM 0 HD2 LYS A 44 5.830 -11.790 8.499 1.00 64.21 H new ATOM 0 HD3 LYS A 44 7.475 -11.200 8.370 1.00 64.21 H new ATOM 0 HE2 LYS A 44 6.162 -9.808 9.922 1.00 1.13 H new ATOM 0 HE3 LYS A 44 6.698 -8.871 8.542 1.00 1.13 H new ATOM 0 HZ1 LYS A 44 4.285 -8.639 9.280 1.00 4.12 H new ATOM 0 HZ2 LYS A 44 4.572 -8.852 7.620 1.00 4.12 H new ATOM 0 HZ3 LYS A 44 4.028 -10.157 8.562 1.00 4.12 H new ATOM 653 N LYS A 45 4.888 -9.163 4.361 1.00 64.12 N ATOM 654 CA LYS A 45 4.302 -7.851 4.115 1.00 72.24 C ATOM 655 C LYS A 45 3.673 -7.788 2.726 1.00 22.12 C ATOM 656 O LYS A 45 2.818 -6.944 2.459 1.00 45.54 O ATOM 657 CB LYS A 45 5.365 -6.760 4.255 1.00 44.25 C ATOM 658 CG LYS A 45 5.282 -5.994 5.563 1.00 4.34 C ATOM 659 CD LYS A 45 4.139 -4.993 5.552 1.00 0.03 C ATOM 660 CE LYS A 45 3.538 -4.818 6.938 1.00 11.15 C ATOM 661 NZ LYS A 45 3.047 -3.429 7.159 1.00 72.52 N ATOM 0 H LYS A 45 5.891 -9.148 4.544 1.00 64.12 H new ATOM 0 HA LYS A 45 3.521 -7.685 4.857 1.00 72.24 H new ATOM 0 HB2 LYS A 45 6.352 -7.214 4.172 1.00 44.25 H new ATOM 0 HB3 LYS A 45 5.265 -6.059 3.426 1.00 44.25 H new ATOM 0 HG2 LYS A 45 5.146 -6.694 6.387 1.00 4.34 H new ATOM 0 HG3 LYS A 45 6.222 -5.472 5.740 1.00 4.34 H new ATOM 0 HD2 LYS A 45 4.500 -4.031 5.187 1.00 0.03 H new ATOM 0 HD3 LYS A 45 3.367 -5.328 4.859 1.00 0.03 H new ATOM 0 HE2 LYS A 45 2.714 -5.519 7.068 1.00 11.15 H new ATOM 0 HE3 LYS A 45 4.286 -5.063 7.692 1.00 11.15 H new ATOM 0 HZ1 LYS A 45 2.645 -3.351 8.115 1.00 72.52 H new ATOM 0 HZ2 LYS A 45 3.838 -2.761 7.061 1.00 72.52 H new ATOM 0 HZ3 LYS A 45 2.315 -3.204 6.456 1.00 72.52 H new ATOM 675 N VAL A 46 4.101 -8.688 1.846 1.00 20.04 N ATOM 676 CA VAL A 46 3.578 -8.736 0.486 1.00 20.12 C ATOM 677 C VAL A 46 2.307 -9.575 0.416 1.00 52.34 C ATOM 678 O VAL A 46 1.536 -9.474 -0.539 1.00 61.22 O ATOM 679 CB VAL A 46 4.616 -9.314 -0.494 1.00 41.32 C ATOM 680 CG1 VAL A 46 4.056 -9.344 -1.908 1.00 62.11 C ATOM 681 CG2 VAL A 46 5.905 -8.508 -0.440 1.00 25.33 C ATOM 0 H VAL A 46 4.809 -9.394 2.051 1.00 20.04 H new ATOM 0 HA VAL A 46 3.349 -7.710 0.198 1.00 20.12 H new ATOM 0 HB VAL A 46 4.841 -10.338 -0.196 1.00 41.32 H new ATOM 0 HG11 VAL A 46 4.803 -9.755 -2.587 1.00 62.11 H new ATOM 0 HG12 VAL A 46 3.162 -9.967 -1.932 1.00 62.11 H new ATOM 0 HG13 VAL A 46 3.801 -8.331 -2.220 1.00 62.11 H new ATOM 0 HG21 VAL A 46 6.628 -8.930 -1.139 1.00 25.33 H new ATOM 0 HG22 VAL A 46 5.699 -7.473 -0.713 1.00 25.33 H new ATOM 0 HG23 VAL A 46 6.314 -8.543 0.570 1.00 25.33 H new ATOM 691 N PHE A 47 2.093 -10.402 1.433 1.00 22.32 N ATOM 692 CA PHE A 47 0.915 -11.260 1.487 1.00 51.31 C ATOM 693 C PHE A 47 -0.273 -10.514 2.088 1.00 72.41 C ATOM 694 O PHE A 47 -1.427 -10.814 1.783 1.00 23.10 O ATOM 695 CB PHE A 47 1.210 -12.517 2.307 1.00 62.41 C ATOM 696 CG PHE A 47 0.073 -12.935 3.194 1.00 34.13 C ATOM 697 CD1 PHE A 47 -0.961 -13.714 2.698 1.00 3.50 C ATOM 698 CD2 PHE A 47 0.037 -12.550 4.525 1.00 52.03 C ATOM 699 CE1 PHE A 47 -2.009 -14.099 3.512 1.00 1.43 C ATOM 700 CE2 PHE A 47 -1.009 -12.932 5.344 1.00 63.40 C ATOM 701 CZ PHE A 47 -2.032 -13.709 4.837 1.00 14.42 C ATOM 0 H PHE A 47 2.720 -10.497 2.232 1.00 22.32 H new ATOM 0 HA PHE A 47 0.661 -11.551 0.468 1.00 51.31 H new ATOM 0 HB2 PHE A 47 1.451 -13.335 1.628 1.00 62.41 H new ATOM 0 HB3 PHE A 47 2.093 -12.342 2.921 1.00 62.41 H new ATOM 0 HD1 PHE A 47 -0.947 -14.024 1.663 1.00 3.50 H new ATOM 0 HD2 PHE A 47 0.836 -11.944 4.927 1.00 52.03 H new ATOM 0 HE1 PHE A 47 -2.809 -14.704 3.113 1.00 1.43 H new ATOM 0 HE2 PHE A 47 -1.026 -12.623 6.379 1.00 63.40 H new ATOM 0 HZ PHE A 47 -2.849 -14.011 5.476 1.00 14.42 H new ATOM 711 N GLY A 48 0.019 -9.541 2.945 1.00 13.32 N ATOM 712 CA GLY A 48 -1.035 -8.768 3.577 1.00 42.35 C ATOM 713 C GLY A 48 -1.912 -8.052 2.569 1.00 50.32 C ATOM 714 O GLY A 48 -3.022 -7.628 2.893 1.00 60.14 O ATOM 0 H GLY A 48 0.966 -9.274 3.213 1.00 13.32 H new ATOM 0 HA2 GLY A 48 -1.652 -9.429 4.186 1.00 42.35 H new ATOM 0 HA3 GLY A 48 -0.590 -8.036 4.252 1.00 42.35 H new ATOM 718 N ILE A 49 -1.414 -7.915 1.345 1.00 45.42 N ATOM 719 CA ILE A 49 -2.160 -7.244 0.287 1.00 23.23 C ATOM 720 C ILE A 49 -3.181 -8.183 -0.345 1.00 62.54 C ATOM 721 O ILE A 49 -4.275 -7.764 -0.725 1.00 60.01 O ATOM 722 CB ILE A 49 -1.222 -6.709 -0.811 1.00 0.31 C ATOM 723 CG1 ILE A 49 0.014 -6.060 -0.185 1.00 1.23 C ATOM 724 CG2 ILE A 49 -1.957 -5.715 -1.697 1.00 14.51 C ATOM 725 CD1 ILE A 49 1.006 -5.542 -1.203 1.00 12.23 C ATOM 0 H ILE A 49 -0.497 -8.260 1.061 1.00 45.42 H new ATOM 0 HA ILE A 49 -2.679 -6.405 0.750 1.00 23.23 H new ATOM 0 HB ILE A 49 -0.896 -7.546 -1.429 1.00 0.31 H new ATOM 0 HG12 ILE A 49 -0.303 -5.236 0.454 1.00 1.23 H new ATOM 0 HG13 ILE A 49 0.511 -6.788 0.457 1.00 1.23 H new ATOM 0 HG21 ILE A 49 -1.281 -5.346 -2.468 1.00 14.51 H new ATOM 0 HG22 ILE A 49 -2.809 -6.207 -2.166 1.00 14.51 H new ATOM 0 HG23 ILE A 49 -2.309 -4.879 -1.092 1.00 14.51 H new ATOM 0 HD11 ILE A 49 1.856 -5.095 -0.688 1.00 12.23 H new ATOM 0 HD12 ILE A 49 1.352 -6.367 -1.826 1.00 12.23 H new ATOM 0 HD13 ILE A 49 0.526 -4.790 -1.829 1.00 12.23 H new ATOM 737 N LEU A 50 -2.817 -9.457 -0.454 1.00 54.54 N ATOM 738 CA LEU A 50 -3.703 -10.458 -1.039 1.00 43.44 C ATOM 739 C LEU A 50 -5.007 -10.556 -0.255 1.00 52.10 C ATOM 740 O LEU A 50 -6.093 -10.409 -0.816 1.00 71.42 O ATOM 741 CB LEU A 50 -3.011 -11.821 -1.074 1.00 23.44 C ATOM 742 CG LEU A 50 -1.495 -11.800 -1.276 1.00 73.31 C ATOM 743 CD1 LEU A 50 -0.951 -13.216 -1.380 1.00 61.54 C ATOM 744 CD2 LEU A 50 -1.134 -10.995 -2.516 1.00 71.51 C ATOM 0 H LEU A 50 -1.915 -9.821 -0.145 1.00 54.54 H new ATOM 0 HA LEU A 50 -3.937 -10.150 -2.058 1.00 43.44 H new ATOM 0 HB2 LEU A 50 -3.226 -12.339 -0.139 1.00 23.44 H new ATOM 0 HB3 LEU A 50 -3.456 -12.411 -1.875 1.00 23.44 H new ATOM 0 HG LEU A 50 -1.038 -11.320 -0.410 1.00 73.31 H new ATOM 0 HD11 LEU A 50 0.129 -13.181 -1.523 1.00 61.54 H new ATOM 0 HD12 LEU A 50 -1.178 -13.761 -0.464 1.00 61.54 H new ATOM 0 HD13 LEU A 50 -1.413 -13.722 -2.227 1.00 61.54 H new ATOM 0 HD21 LEU A 50 -0.052 -10.991 -2.645 1.00 71.51 H new ATOM 0 HD22 LEU A 50 -1.601 -11.446 -3.391 1.00 71.51 H new ATOM 0 HD23 LEU A 50 -1.490 -9.971 -2.402 1.00 71.51 H new ATOM 756 N ASP A 51 -4.892 -10.803 1.045 1.00 13.42 N ATOM 757 CA ASP A 51 -6.062 -10.917 1.908 1.00 34.10 C ATOM 758 C ASP A 51 -7.054 -9.791 1.632 1.00 45.22 C ATOM 759 O ASP A 51 -6.674 -8.622 1.559 1.00 33.34 O ATOM 760 CB ASP A 51 -5.642 -10.894 3.379 1.00 74.45 C ATOM 761 CG ASP A 51 -6.683 -11.519 4.287 1.00 25.24 C ATOM 762 OD1 ASP A 51 -7.882 -11.222 4.109 1.00 14.40 O ATOM 763 OD2 ASP A 51 -6.297 -12.306 5.177 1.00 62.45 O ATOM 0 H ASP A 51 -4.000 -10.928 1.525 1.00 13.42 H new ATOM 0 HA ASP A 51 -6.550 -11.867 1.692 1.00 34.10 H new ATOM 0 HB2 ASP A 51 -4.698 -11.427 3.493 1.00 74.45 H new ATOM 0 HB3 ASP A 51 -5.466 -9.864 3.688 1.00 74.45 H new ATOM 768 N GLN A 52 -8.323 -10.151 1.478 1.00 74.54 N ATOM 769 CA GLN A 52 -9.368 -9.171 1.207 1.00 11.24 C ATOM 770 C GLN A 52 -9.270 -7.992 2.170 1.00 51.11 C ATOM 771 O GLN A 52 -9.272 -6.834 1.751 1.00 34.21 O ATOM 772 CB GLN A 52 -10.748 -9.821 1.318 1.00 72.24 C ATOM 773 CG GLN A 52 -10.939 -10.632 2.589 1.00 1.03 C ATOM 774 CD GLN A 52 -12.213 -11.453 2.572 1.00 14.25 C ATOM 775 OE1 GLN A 52 -13.027 -11.339 1.655 1.00 64.11 O ATOM 776 NE2 GLN A 52 -12.394 -12.286 3.590 1.00 33.51 N ATOM 0 H GLN A 52 -8.653 -11.114 1.536 1.00 74.54 H new ATOM 0 HA GLN A 52 -9.229 -8.801 0.191 1.00 11.24 H new ATOM 0 HB2 GLN A 52 -11.511 -9.044 1.275 1.00 72.24 H new ATOM 0 HB3 GLN A 52 -10.905 -10.470 0.456 1.00 72.24 H new ATOM 0 HG2 GLN A 52 -10.085 -11.296 2.723 1.00 1.03 H new ATOM 0 HG3 GLN A 52 -10.957 -9.959 3.446 1.00 1.03 H new ATOM 0 HE21 GLN A 52 -11.693 -12.349 4.329 1.00 33.51 H new ATOM 0 HE22 GLN A 52 -13.234 -12.863 3.633 1.00 33.51 H new ATOM 785 N ASP A 53 -9.185 -8.294 3.461 1.00 63.04 N ATOM 786 CA ASP A 53 -9.085 -7.259 4.483 1.00 32.12 C ATOM 787 C ASP A 53 -8.198 -7.718 5.636 1.00 11.13 C ATOM 788 O ASP A 53 -8.426 -7.357 6.791 1.00 21.01 O ATOM 789 CB ASP A 53 -10.475 -6.894 5.007 1.00 72.22 C ATOM 790 CG ASP A 53 -11.372 -8.107 5.162 1.00 10.32 C ATOM 791 OD1 ASP A 53 -10.872 -9.161 5.606 1.00 63.13 O ATOM 792 OD2 ASP A 53 -12.574 -8.001 4.839 1.00 30.34 O ATOM 0 H ASP A 53 -9.183 -9.247 3.824 1.00 63.04 H new ATOM 0 HA ASP A 53 -8.633 -6.377 4.029 1.00 32.12 H new ATOM 0 HB2 ASP A 53 -10.377 -6.393 5.970 1.00 72.22 H new ATOM 0 HB3 ASP A 53 -10.943 -6.185 4.324 1.00 72.22 H new ATOM 797 N LYS A 54 -7.186 -8.517 5.316 1.00 41.24 N ATOM 798 CA LYS A 54 -6.263 -9.026 6.323 1.00 14.14 C ATOM 799 C LYS A 54 -7.020 -9.528 7.549 1.00 23.50 C ATOM 800 O LYS A 54 -6.621 -9.271 8.685 1.00 62.42 O ATOM 801 CB LYS A 54 -5.272 -7.935 6.735 1.00 51.14 C ATOM 802 CG LYS A 54 -4.354 -7.491 5.609 1.00 74.14 C ATOM 803 CD LYS A 54 -5.084 -6.608 4.610 1.00 3.32 C ATOM 804 CE LYS A 54 -4.319 -5.321 4.342 1.00 1.42 C ATOM 805 NZ LYS A 54 -4.227 -4.466 5.558 1.00 34.24 N ATOM 0 H LYS A 54 -6.984 -8.826 4.365 1.00 41.24 H new ATOM 0 HA LYS A 54 -5.714 -9.861 5.888 1.00 14.14 H new ATOM 0 HB2 LYS A 54 -5.827 -7.072 7.102 1.00 51.14 H new ATOM 0 HB3 LYS A 54 -4.666 -8.300 7.564 1.00 51.14 H new ATOM 0 HG2 LYS A 54 -3.505 -6.948 6.023 1.00 74.14 H new ATOM 0 HG3 LYS A 54 -3.954 -8.367 5.098 1.00 74.14 H new ATOM 0 HD2 LYS A 54 -5.223 -7.152 3.675 1.00 3.32 H new ATOM 0 HD3 LYS A 54 -6.077 -6.370 4.991 1.00 3.32 H new ATOM 0 HE2 LYS A 54 -3.316 -5.562 3.991 1.00 1.42 H new ATOM 0 HE3 LYS A 54 -4.812 -4.765 3.544 1.00 1.42 H new ATOM 0 HZ1 LYS A 54 -4.066 -3.478 5.276 1.00 34.24 H new ATOM 0 HZ2 LYS A 54 -5.114 -4.532 6.097 1.00 34.24 H new ATOM 0 HZ3 LYS A 54 -3.437 -4.790 6.151 1.00 34.24 H new ATOM 819 N SER A 55 -8.112 -10.247 7.311 1.00 32.21 N ATOM 820 CA SER A 55 -8.925 -10.784 8.396 1.00 54.10 C ATOM 821 C SER A 55 -8.087 -11.660 9.321 1.00 24.14 C ATOM 822 O SER A 55 -8.424 -11.850 10.489 1.00 21.21 O ATOM 823 CB SER A 55 -10.096 -11.592 7.833 1.00 40.14 C ATOM 824 OG SER A 55 -9.693 -12.909 7.499 1.00 41.11 O ATOM 0 H SER A 55 -8.454 -10.471 6.377 1.00 32.21 H new ATOM 0 HA SER A 55 -9.315 -9.946 8.973 1.00 54.10 H new ATOM 0 HB2 SER A 55 -10.902 -11.630 8.566 1.00 40.14 H new ATOM 0 HB3 SER A 55 -10.493 -11.094 6.948 1.00 40.14 H new ATOM 0 HG SER A 55 -10.459 -13.405 7.143 1.00 41.11 H new ATOM 830 N GLY A 56 -6.990 -12.192 8.789 1.00 11.05 N ATOM 831 CA GLY A 56 -6.119 -13.042 9.580 1.00 13.02 C ATOM 832 C GLY A 56 -5.623 -14.245 8.804 1.00 64.32 C ATOM 833 O GLY A 56 -4.538 -14.762 9.072 1.00 3.20 O ATOM 0 H GLY A 56 -6.689 -12.049 7.825 1.00 11.05 H new ATOM 0 HA2 GLY A 56 -5.265 -12.460 9.927 1.00 13.02 H new ATOM 0 HA3 GLY A 56 -6.655 -13.381 10.467 1.00 13.02 H new ATOM 837 N PHE A 57 -6.419 -14.695 7.839 1.00 4.22 N ATOM 838 CA PHE A 57 -6.055 -15.847 7.023 1.00 60.12 C ATOM 839 C PHE A 57 -6.714 -15.770 5.649 1.00 44.34 C ATOM 840 O PHE A 57 -7.700 -15.056 5.461 1.00 65.34 O ATOM 841 CB PHE A 57 -6.463 -17.145 7.724 1.00 43.41 C ATOM 842 CG PHE A 57 -5.718 -17.394 9.004 1.00 4.00 C ATOM 843 CD1 PHE A 57 -4.511 -18.076 8.997 1.00 14.45 C ATOM 844 CD2 PHE A 57 -6.224 -16.947 10.214 1.00 62.20 C ATOM 845 CE1 PHE A 57 -3.823 -18.306 10.174 1.00 61.44 C ATOM 846 CE2 PHE A 57 -5.540 -17.175 11.393 1.00 3.41 C ATOM 847 CZ PHE A 57 -4.338 -17.856 11.373 1.00 35.21 C ATOM 0 H PHE A 57 -7.320 -14.279 7.603 1.00 4.22 H new ATOM 0 HA PHE A 57 -4.973 -15.839 6.889 1.00 60.12 H new ATOM 0 HB2 PHE A 57 -7.532 -17.114 7.935 1.00 43.41 H new ATOM 0 HB3 PHE A 57 -6.296 -17.983 7.047 1.00 43.41 H new ATOM 0 HD1 PHE A 57 -4.104 -18.431 8.062 1.00 14.45 H new ATOM 0 HD2 PHE A 57 -7.163 -16.415 10.236 1.00 62.20 H new ATOM 0 HE1 PHE A 57 -2.883 -18.838 10.155 1.00 61.44 H new ATOM 0 HE2 PHE A 57 -5.945 -16.821 12.330 1.00 3.41 H new ATOM 0 HZ PHE A 57 -3.803 -18.036 12.294 1.00 35.21 H new ATOM 857 N ILE A 58 -6.161 -16.508 4.692 1.00 33.20 N ATOM 858 CA ILE A 58 -6.695 -16.524 3.336 1.00 42.13 C ATOM 859 C ILE A 58 -7.072 -17.939 2.910 1.00 53.42 C ATOM 860 O ILE A 58 -6.205 -18.761 2.619 1.00 70.52 O ATOM 861 CB ILE A 58 -5.684 -15.949 2.326 1.00 2.44 C ATOM 862 CG1 ILE A 58 -5.563 -14.433 2.500 1.00 71.14 C ATOM 863 CG2 ILE A 58 -6.101 -16.293 0.904 1.00 25.13 C ATOM 864 CD1 ILE A 58 -4.615 -13.786 1.515 1.00 43.11 C ATOM 0 H ILE A 58 -5.344 -17.102 4.831 1.00 33.20 H new ATOM 0 HA ILE A 58 -7.588 -15.898 3.341 1.00 42.13 H new ATOM 0 HB ILE A 58 -4.709 -16.397 2.515 1.00 2.44 H new ATOM 0 HG12 ILE A 58 -6.550 -13.983 2.391 1.00 71.14 H new ATOM 0 HG13 ILE A 58 -5.224 -14.218 3.513 1.00 71.14 H new ATOM 0 HG21 ILE A 58 -5.377 -15.880 0.202 1.00 25.13 H new ATOM 0 HG22 ILE A 58 -6.141 -17.376 0.788 1.00 25.13 H new ATOM 0 HG23 ILE A 58 -7.085 -15.870 0.701 1.00 25.13 H new ATOM 0 HD11 ILE A 58 -4.579 -12.712 1.697 1.00 43.11 H new ATOM 0 HD12 ILE A 58 -3.618 -14.209 1.638 1.00 43.11 H new ATOM 0 HD13 ILE A 58 -4.964 -13.970 0.499 1.00 43.11 H new ATOM 876 N GLU A 59 -8.373 -18.213 2.874 1.00 4.02 N ATOM 877 CA GLU A 59 -8.865 -19.529 2.482 1.00 4.54 C ATOM 878 C GLU A 59 -8.926 -19.656 0.963 1.00 73.10 C ATOM 879 O GLU A 59 -8.705 -18.686 0.239 1.00 1.35 O ATOM 880 CB GLU A 59 -10.249 -19.779 3.083 1.00 75.32 C ATOM 881 CG GLU A 59 -10.323 -19.509 4.576 1.00 34.22 C ATOM 882 CD GLU A 59 -11.746 -19.513 5.100 1.00 34.21 C ATOM 883 OE1 GLU A 59 -12.515 -18.600 4.734 1.00 53.32 O ATOM 884 OE2 GLU A 59 -12.091 -20.429 5.876 1.00 50.20 O ATOM 0 H GLU A 59 -9.104 -17.542 3.111 1.00 4.02 H new ATOM 0 HA GLU A 59 -8.171 -20.278 2.864 1.00 4.54 H new ATOM 0 HB2 GLU A 59 -10.977 -19.149 2.572 1.00 75.32 H new ATOM 0 HB3 GLU A 59 -10.536 -20.814 2.895 1.00 75.32 H new ATOM 0 HG2 GLU A 59 -9.742 -20.263 5.107 1.00 34.22 H new ATOM 0 HG3 GLU A 59 -9.864 -18.544 4.790 1.00 34.22 H new ATOM 891 N GLU A 60 -9.228 -20.860 0.488 1.00 71.42 N ATOM 892 CA GLU A 60 -9.317 -21.115 -0.945 1.00 73.12 C ATOM 893 C GLU A 60 -10.242 -20.107 -1.620 1.00 53.45 C ATOM 894 O GLU A 60 -10.123 -19.844 -2.817 1.00 4.14 O ATOM 895 CB GLU A 60 -9.820 -22.537 -1.203 1.00 32.03 C ATOM 896 CG GLU A 60 -9.600 -23.012 -2.629 1.00 44.21 C ATOM 897 CD GLU A 60 -10.822 -22.817 -3.504 1.00 74.14 C ATOM 898 OE1 GLU A 60 -11.886 -23.380 -3.172 1.00 72.14 O ATOM 899 OE2 GLU A 60 -10.715 -22.101 -4.522 1.00 2.20 O ATOM 0 H GLU A 60 -9.415 -21.674 1.074 1.00 71.42 H new ATOM 0 HA GLU A 60 -8.319 -21.008 -1.369 1.00 73.12 H new ATOM 0 HB2 GLU A 60 -9.316 -23.221 -0.520 1.00 32.03 H new ATOM 0 HB3 GLU A 60 -10.885 -22.584 -0.974 1.00 32.03 H new ATOM 0 HG2 GLU A 60 -8.758 -22.472 -3.062 1.00 44.21 H new ATOM 0 HG3 GLU A 60 -9.330 -24.068 -2.619 1.00 44.21 H new ATOM 906 N GLU A 61 -11.165 -19.546 -0.844 1.00 64.12 N ATOM 907 CA GLU A 61 -12.111 -18.568 -1.368 1.00 2.13 C ATOM 908 C GLU A 61 -11.395 -17.286 -1.782 1.00 4.44 C ATOM 909 O GLU A 61 -11.626 -16.757 -2.869 1.00 25.34 O ATOM 910 CB GLU A 61 -13.183 -18.252 -0.322 1.00 45.13 C ATOM 911 CG GLU A 61 -14.118 -19.415 -0.039 1.00 20.13 C ATOM 912 CD GLU A 61 -15.469 -18.964 0.482 1.00 42.12 C ATOM 913 OE1 GLU A 61 -16.062 -18.046 -0.123 1.00 22.25 O ATOM 914 OE2 GLU A 61 -15.933 -19.530 1.494 1.00 1.51 O ATOM 0 H GLU A 61 -11.277 -19.752 0.149 1.00 64.12 H new ATOM 0 HA GLU A 61 -12.588 -18.997 -2.249 1.00 2.13 H new ATOM 0 HB2 GLU A 61 -12.696 -17.954 0.607 1.00 45.13 H new ATOM 0 HB3 GLU A 61 -13.770 -17.399 -0.662 1.00 45.13 H new ATOM 0 HG2 GLU A 61 -14.259 -19.993 -0.952 1.00 20.13 H new ATOM 0 HG3 GLU A 61 -13.655 -20.080 0.690 1.00 20.13 H new ATOM 921 N GLU A 62 -10.525 -16.791 -0.906 1.00 33.12 N ATOM 922 CA GLU A 62 -9.777 -15.570 -1.180 1.00 24.23 C ATOM 923 C GLU A 62 -8.463 -15.885 -1.890 1.00 31.12 C ATOM 924 O GLU A 62 -7.729 -14.981 -2.291 1.00 61.34 O ATOM 925 CB GLU A 62 -9.497 -14.814 0.121 1.00 74.02 C ATOM 926 CG GLU A 62 -10.438 -13.645 0.359 1.00 41.41 C ATOM 927 CD GLU A 62 -11.828 -14.088 0.771 1.00 20.41 C ATOM 928 OE1 GLU A 62 -11.962 -14.677 1.864 1.00 32.52 O ATOM 929 OE2 GLU A 62 -12.781 -13.847 0.001 1.00 30.42 O ATOM 0 H GLU A 62 -10.321 -17.217 -0.002 1.00 33.12 H new ATOM 0 HA GLU A 62 -10.383 -14.942 -1.834 1.00 24.23 H new ATOM 0 HB2 GLU A 62 -9.574 -15.508 0.958 1.00 74.02 H new ATOM 0 HB3 GLU A 62 -8.471 -14.446 0.104 1.00 74.02 H new ATOM 0 HG2 GLU A 62 -10.022 -13.001 1.133 1.00 41.41 H new ATOM 0 HG3 GLU A 62 -10.506 -13.048 -0.550 1.00 41.41 H new ATOM 936 N LEU A 63 -8.173 -17.173 -2.041 1.00 11.34 N ATOM 937 CA LEU A 63 -6.948 -17.609 -2.702 1.00 1.34 C ATOM 938 C LEU A 63 -7.091 -17.532 -4.218 1.00 63.53 C ATOM 939 O LEU A 63 -6.105 -17.368 -4.936 1.00 64.40 O ATOM 940 CB LEU A 63 -6.599 -19.038 -2.282 1.00 14.21 C ATOM 941 CG LEU A 63 -5.116 -19.407 -2.326 1.00 33.42 C ATOM 942 CD1 LEU A 63 -4.337 -18.610 -1.292 1.00 24.01 C ATOM 943 CD2 LEU A 63 -4.932 -20.901 -2.100 1.00 70.01 C ATOM 0 H LEU A 63 -8.770 -17.933 -1.715 1.00 11.34 H new ATOM 0 HA LEU A 63 -6.142 -16.941 -2.397 1.00 1.34 H new ATOM 0 HB2 LEU A 63 -6.962 -19.196 -1.266 1.00 14.21 H new ATOM 0 HB3 LEU A 63 -7.144 -19.728 -2.926 1.00 14.21 H new ATOM 0 HG LEU A 63 -4.728 -19.158 -3.314 1.00 33.42 H new ATOM 0 HD11 LEU A 63 -3.284 -18.886 -1.338 1.00 24.01 H new ATOM 0 HD12 LEU A 63 -4.442 -17.545 -1.499 1.00 24.01 H new ATOM 0 HD13 LEU A 63 -4.726 -18.827 -0.297 1.00 24.01 H new ATOM 0 HD21 LEU A 63 -3.870 -21.146 -2.135 1.00 70.01 H new ATOM 0 HD22 LEU A 63 -5.336 -21.174 -1.125 1.00 70.01 H new ATOM 0 HD23 LEU A 63 -5.458 -21.454 -2.878 1.00 70.01 H new ATOM 955 N GLN A 64 -8.325 -17.651 -4.698 1.00 44.30 N ATOM 956 CA GLN A 64 -8.596 -17.594 -6.130 1.00 2.45 C ATOM 957 C GLN A 64 -8.344 -16.192 -6.676 1.00 14.03 C ATOM 958 O GLN A 64 -8.434 -15.959 -7.882 1.00 12.21 O ATOM 959 CB GLN A 64 -10.039 -18.013 -6.414 1.00 31.23 C ATOM 960 CG GLN A 64 -11.065 -16.958 -6.033 1.00 75.35 C ATOM 961 CD GLN A 64 -12.492 -17.436 -6.225 1.00 5.21 C ATOM 962 OE1 GLN A 64 -12.736 -18.621 -6.453 1.00 13.14 O ATOM 963 NE2 GLN A 64 -13.442 -16.513 -6.133 1.00 73.31 N ATOM 0 H GLN A 64 -9.152 -17.787 -4.117 1.00 44.30 H new ATOM 0 HA GLN A 64 -7.919 -18.286 -6.631 1.00 2.45 H new ATOM 0 HB2 GLN A 64 -10.140 -18.240 -7.475 1.00 31.23 H new ATOM 0 HB3 GLN A 64 -10.256 -18.932 -5.869 1.00 31.23 H new ATOM 0 HG2 GLN A 64 -10.918 -16.673 -4.991 1.00 75.35 H new ATOM 0 HG3 GLN A 64 -10.901 -16.064 -6.634 1.00 75.35 H new ATOM 0 HE21 GLN A 64 -13.193 -15.542 -5.943 1.00 73.31 H new ATOM 0 HE22 GLN A 64 -14.421 -16.775 -6.253 1.00 73.31 H new ATOM 972 N LEU A 65 -8.030 -15.262 -5.781 1.00 44.32 N ATOM 973 CA LEU A 65 -7.765 -13.882 -6.173 1.00 52.44 C ATOM 974 C LEU A 65 -6.268 -13.593 -6.172 1.00 45.34 C ATOM 975 O LEU A 65 -5.848 -12.436 -6.123 1.00 62.31 O ATOM 976 CB LEU A 65 -8.483 -12.916 -5.229 1.00 11.10 C ATOM 977 CG LEU A 65 -9.893 -13.322 -4.798 1.00 22.31 C ATOM 978 CD1 LEU A 65 -10.346 -12.494 -3.606 1.00 10.13 C ATOM 979 CD2 LEU A 65 -10.869 -13.172 -5.956 1.00 23.32 C ATOM 0 H LEU A 65 -7.953 -15.438 -4.779 1.00 44.32 H new ATOM 0 HA LEU A 65 -8.143 -13.739 -7.185 1.00 52.44 H new ATOM 0 HB2 LEU A 65 -7.873 -12.793 -4.334 1.00 11.10 H new ATOM 0 HB3 LEU A 65 -8.539 -11.941 -5.713 1.00 11.10 H new ATOM 0 HG LEU A 65 -9.873 -14.370 -4.500 1.00 22.31 H new ATOM 0 HD11 LEU A 65 -11.351 -12.797 -3.314 1.00 10.13 H new ATOM 0 HD12 LEU A 65 -9.662 -12.652 -2.772 1.00 10.13 H new ATOM 0 HD13 LEU A 65 -10.350 -11.438 -3.877 1.00 10.13 H new ATOM 0 HD21 LEU A 65 -11.867 -13.465 -5.631 1.00 23.32 H new ATOM 0 HD22 LEU A 65 -10.885 -12.133 -6.286 1.00 23.32 H new ATOM 0 HD23 LEU A 65 -10.554 -13.810 -6.782 1.00 23.32 H new ATOM 991 N PHE A 66 -5.466 -14.651 -6.229 1.00 61.03 N ATOM 992 CA PHE A 66 -4.014 -14.511 -6.236 1.00 74.22 C ATOM 993 C PHE A 66 -3.543 -13.791 -7.496 1.00 74.24 C ATOM 994 O PHE A 66 -2.476 -13.177 -7.512 1.00 64.32 O ATOM 995 CB PHE A 66 -3.348 -15.885 -6.141 1.00 60.31 C ATOM 996 CG PHE A 66 -1.852 -15.836 -6.266 1.00 50.11 C ATOM 997 CD1 PHE A 66 -1.063 -15.511 -5.175 1.00 23.13 C ATOM 998 CD2 PHE A 66 -1.235 -16.114 -7.475 1.00 52.13 C ATOM 999 CE1 PHE A 66 0.314 -15.465 -5.286 1.00 63.12 C ATOM 1000 CE2 PHE A 66 0.141 -16.070 -7.593 1.00 2.13 C ATOM 1001 CZ PHE A 66 0.917 -15.744 -6.497 1.00 52.13 C ATOM 0 H PHE A 66 -5.797 -15.615 -6.271 1.00 61.03 H new ATOM 0 HA PHE A 66 -3.727 -13.915 -5.370 1.00 74.22 H new ATOM 0 HB2 PHE A 66 -3.610 -16.342 -5.187 1.00 60.31 H new ATOM 0 HB3 PHE A 66 -3.749 -16.529 -6.923 1.00 60.31 H new ATOM 0 HD1 PHE A 66 -1.529 -15.291 -4.226 1.00 23.13 H new ATOM 0 HD2 PHE A 66 -1.837 -16.368 -8.335 1.00 52.13 H new ATOM 0 HE1 PHE A 66 0.918 -15.211 -4.427 1.00 63.12 H new ATOM 0 HE2 PHE A 66 0.610 -16.290 -8.541 1.00 2.13 H new ATOM 0 HZ PHE A 66 1.993 -15.707 -6.587 1.00 52.13 H new ATOM 1011 N LEU A 67 -4.347 -13.871 -8.551 1.00 63.43 N ATOM 1012 CA LEU A 67 -4.013 -13.228 -9.818 1.00 32.34 C ATOM 1013 C LEU A 67 -4.514 -11.788 -9.845 1.00 54.13 C ATOM 1014 O LEU A 67 -4.428 -11.108 -10.868 1.00 64.23 O ATOM 1015 CB LEU A 67 -4.616 -14.012 -10.985 1.00 25.53 C ATOM 1016 CG LEU A 67 -3.858 -15.271 -11.410 1.00 11.03 C ATOM 1017 CD1 LEU A 67 -4.653 -16.048 -12.447 1.00 54.34 C ATOM 1018 CD2 LEU A 67 -2.483 -14.909 -11.951 1.00 2.53 C ATOM 0 H LEU A 67 -5.234 -14.374 -8.554 1.00 63.43 H new ATOM 0 HA LEU A 67 -2.928 -13.218 -9.918 1.00 32.34 H new ATOM 0 HB2 LEU A 67 -5.634 -14.297 -10.718 1.00 25.53 H new ATOM 0 HB3 LEU A 67 -4.687 -13.347 -11.846 1.00 25.53 H new ATOM 0 HG LEU A 67 -3.726 -15.905 -10.533 1.00 11.03 H new ATOM 0 HD11 LEU A 67 -4.098 -16.940 -12.737 1.00 54.34 H new ATOM 0 HD12 LEU A 67 -5.614 -16.340 -12.025 1.00 54.34 H new ATOM 0 HD13 LEU A 67 -4.817 -15.422 -13.324 1.00 54.34 H new ATOM 0 HD21 LEU A 67 -1.958 -15.817 -12.248 1.00 2.53 H new ATOM 0 HD22 LEU A 67 -2.593 -14.254 -12.815 1.00 2.53 H new ATOM 0 HD23 LEU A 67 -1.911 -14.396 -11.178 1.00 2.53 H new ATOM 1030 N LYS A 68 -5.037 -11.327 -8.714 1.00 75.12 N ATOM 1031 CA LYS A 68 -5.550 -9.966 -8.606 1.00 63.22 C ATOM 1032 C LYS A 68 -4.512 -9.043 -7.977 1.00 1.53 C ATOM 1033 O LYS A 68 -4.590 -7.822 -8.112 1.00 33.32 O ATOM 1034 CB LYS A 68 -6.835 -9.948 -7.776 1.00 11.43 C ATOM 1035 CG LYS A 68 -7.802 -11.065 -8.126 1.00 61.32 C ATOM 1036 CD LYS A 68 -8.285 -10.955 -9.563 1.00 12.35 C ATOM 1037 CE LYS A 68 -9.693 -10.384 -9.634 1.00 74.44 C ATOM 1038 NZ LYS A 68 -10.001 -9.835 -10.984 1.00 72.30 N ATOM 0 H LYS A 68 -5.117 -11.876 -7.858 1.00 75.12 H new ATOM 0 HA LYS A 68 -5.770 -9.605 -9.611 1.00 63.22 H new ATOM 0 HB2 LYS A 68 -6.576 -10.021 -6.720 1.00 11.43 H new ATOM 0 HB3 LYS A 68 -7.335 -8.989 -7.916 1.00 11.43 H new ATOM 0 HG2 LYS A 68 -7.315 -12.029 -7.978 1.00 61.32 H new ATOM 0 HG3 LYS A 68 -8.657 -11.032 -7.450 1.00 61.32 H new ATOM 0 HD2 LYS A 68 -7.604 -10.320 -10.129 1.00 12.35 H new ATOM 0 HD3 LYS A 68 -8.266 -11.939 -10.031 1.00 12.35 H new ATOM 0 HE2 LYS A 68 -10.414 -11.163 -9.385 1.00 74.44 H new ATOM 0 HE3 LYS A 68 -9.804 -9.597 -8.888 1.00 74.44 H new ATOM 0 HZ1 LYS A 68 -11.026 -9.880 -11.152 1.00 72.30 H new ATOM 0 HZ2 LYS A 68 -9.685 -8.846 -11.037 1.00 72.30 H new ATOM 0 HZ3 LYS A 68 -9.507 -10.395 -11.708 1.00 72.30 H new ATOM 1052 N ASN A 69 -3.539 -9.633 -7.290 1.00 34.51 N ATOM 1053 CA ASN A 69 -2.485 -8.863 -6.641 1.00 12.14 C ATOM 1054 C ASN A 69 -1.203 -8.890 -7.468 1.00 14.13 C ATOM 1055 O ASN A 69 -0.184 -8.325 -7.071 1.00 23.41 O ATOM 1056 CB ASN A 69 -2.213 -9.412 -5.239 1.00 24.41 C ATOM 1057 CG ASN A 69 -1.832 -8.323 -4.255 1.00 32.23 C ATOM 1058 OD1 ASN A 69 -2.686 -7.575 -3.779 1.00 34.21 O ATOM 1059 ND2 ASN A 69 -0.544 -8.229 -3.945 1.00 73.30 N ATOM 0 H ASN A 69 -3.459 -10.643 -7.169 1.00 34.51 H new ATOM 0 HA ASN A 69 -2.822 -7.830 -6.560 1.00 12.14 H new ATOM 0 HB2 ASN A 69 -3.100 -9.931 -4.877 1.00 24.41 H new ATOM 0 HB3 ASN A 69 -1.411 -10.149 -5.290 1.00 24.41 H new ATOM 0 HD21 ASN A 69 -0.228 -7.515 -3.288 1.00 73.30 H new ATOM 0 HD22 ASN A 69 0.129 -8.870 -4.364 1.00 73.30 H new ATOM 1066 N PHE A 70 -1.263 -9.549 -8.620 1.00 30.42 N ATOM 1067 CA PHE A 70 -0.107 -9.651 -9.503 1.00 54.34 C ATOM 1068 C PHE A 70 -0.449 -9.152 -10.904 1.00 45.54 C ATOM 1069 O PHE A 70 0.314 -8.398 -11.509 1.00 51.13 O ATOM 1070 CB PHE A 70 0.384 -11.098 -9.571 1.00 62.11 C ATOM 1071 CG PHE A 70 1.111 -11.543 -8.334 1.00 51.21 C ATOM 1072 CD1 PHE A 70 0.411 -11.878 -7.186 1.00 51.02 C ATOM 1073 CD2 PHE A 70 2.494 -11.626 -8.319 1.00 72.33 C ATOM 1074 CE1 PHE A 70 1.077 -12.287 -6.047 1.00 3.35 C ATOM 1075 CE2 PHE A 70 3.166 -12.035 -7.183 1.00 13.25 C ATOM 1076 CZ PHE A 70 2.456 -12.366 -6.045 1.00 23.40 C ATOM 0 H PHE A 70 -2.100 -10.020 -8.964 1.00 30.42 H new ATOM 0 HA PHE A 70 0.687 -9.025 -9.096 1.00 54.34 H new ATOM 0 HB2 PHE A 70 -0.469 -11.755 -9.738 1.00 62.11 H new ATOM 0 HB3 PHE A 70 1.045 -11.209 -10.431 1.00 62.11 H new ATOM 0 HD1 PHE A 70 -0.667 -11.819 -7.182 1.00 51.02 H new ATOM 0 HD2 PHE A 70 3.054 -11.368 -9.206 1.00 72.33 H new ATOM 0 HE1 PHE A 70 0.520 -12.545 -5.159 1.00 3.35 H new ATOM 0 HE2 PHE A 70 4.244 -12.096 -7.185 1.00 13.25 H new ATOM 0 HZ PHE A 70 2.978 -12.686 -5.155 1.00 23.40 H new ATOM 1086 N SER A 71 -1.600 -9.578 -11.414 1.00 64.21 N ATOM 1087 CA SER A 71 -2.041 -9.179 -12.745 1.00 43.14 C ATOM 1088 C SER A 71 -3.069 -8.055 -12.663 1.00 11.15 C ATOM 1089 O SER A 71 -3.098 -7.161 -13.509 1.00 22.34 O ATOM 1090 CB SER A 71 -2.636 -10.376 -13.489 1.00 62.20 C ATOM 1091 OG SER A 71 -2.486 -10.232 -14.891 1.00 14.52 O ATOM 0 H SER A 71 -2.244 -10.200 -10.925 1.00 64.21 H new ATOM 0 HA SER A 71 -1.173 -8.814 -13.294 1.00 43.14 H new ATOM 0 HB2 SER A 71 -2.146 -11.292 -13.160 1.00 62.20 H new ATOM 0 HB3 SER A 71 -3.693 -10.473 -13.241 1.00 62.20 H new ATOM 0 HG SER A 71 -2.873 -11.011 -15.343 1.00 14.52 H new ATOM 1097 N SER A 72 -3.912 -8.107 -11.636 1.00 73.44 N ATOM 1098 CA SER A 72 -4.946 -7.097 -11.444 1.00 5.44 C ATOM 1099 C SER A 72 -5.929 -7.096 -12.610 1.00 42.52 C ATOM 1100 O SER A 72 -6.681 -6.140 -12.801 1.00 72.33 O ATOM 1101 CB SER A 72 -4.313 -5.712 -11.294 1.00 45.10 C ATOM 1102 OG SER A 72 -3.142 -5.770 -10.497 1.00 50.44 O ATOM 0 H SER A 72 -3.899 -8.838 -10.925 1.00 73.44 H new ATOM 0 HA SER A 72 -5.492 -7.340 -10.533 1.00 5.44 H new ATOM 0 HB2 SER A 72 -4.068 -5.312 -12.278 1.00 45.10 H new ATOM 0 HB3 SER A 72 -5.031 -5.028 -10.842 1.00 45.10 H new ATOM 0 HG SER A 72 -2.755 -4.873 -10.418 1.00 50.44 H new ATOM 1108 N SER A 73 -5.916 -8.173 -13.388 1.00 21.53 N ATOM 1109 CA SER A 73 -6.803 -8.297 -14.538 1.00 51.44 C ATOM 1110 C SER A 73 -7.449 -9.678 -14.581 1.00 33.02 C ATOM 1111 O SER A 73 -8.661 -9.803 -14.757 1.00 23.53 O ATOM 1112 CB SER A 73 -6.031 -8.042 -15.834 1.00 65.53 C ATOM 1113 OG SER A 73 -6.908 -7.694 -16.891 1.00 41.21 O ATOM 0 H SER A 73 -5.300 -8.973 -13.243 1.00 21.53 H new ATOM 0 HA SER A 73 -7.591 -7.550 -14.439 1.00 51.44 H new ATOM 0 HB2 SER A 73 -5.308 -7.241 -15.679 1.00 65.53 H new ATOM 0 HB3 SER A 73 -5.465 -8.933 -16.105 1.00 65.53 H new ATOM 0 HG SER A 73 -6.390 -7.535 -17.707 1.00 41.21 H new ATOM 1119 N ALA A 74 -6.631 -10.712 -14.418 1.00 62.43 N ATOM 1120 CA ALA A 74 -7.121 -12.085 -14.436 1.00 14.12 C ATOM 1121 C ALA A 74 -8.288 -12.263 -13.470 1.00 23.32 C ATOM 1122 O ALA A 74 -8.193 -11.906 -12.295 1.00 74.24 O ATOM 1123 CB ALA A 74 -5.997 -13.052 -14.094 1.00 13.55 C ATOM 0 H ALA A 74 -5.625 -10.625 -14.272 1.00 62.43 H new ATOM 0 HA ALA A 74 -7.479 -12.304 -15.442 1.00 14.12 H new ATOM 0 HB1 ALA A 74 -6.378 -14.073 -14.111 1.00 13.55 H new ATOM 0 HB2 ALA A 74 -5.195 -12.951 -14.825 1.00 13.55 H new ATOM 0 HB3 ALA A 74 -5.612 -12.825 -13.100 1.00 13.55 H new ATOM 1129 N ARG A 75 -9.387 -12.817 -13.972 1.00 25.10 N ATOM 1130 CA ARG A 75 -10.572 -13.041 -13.153 1.00 41.23 C ATOM 1131 C ARG A 75 -10.199 -13.682 -11.820 1.00 63.20 C ATOM 1132 O ARG A 75 -10.144 -13.011 -10.790 1.00 13.34 O ATOM 1133 CB ARG A 75 -11.571 -13.929 -13.897 1.00 31.12 C ATOM 1134 CG ARG A 75 -10.921 -14.879 -14.890 1.00 4.34 C ATOM 1135 CD ARG A 75 -11.689 -16.187 -14.995 1.00 52.41 C ATOM 1136 NE ARG A 75 -10.807 -17.320 -15.261 1.00 12.21 N ATOM 1137 CZ ARG A 75 -11.245 -18.533 -15.578 1.00 21.31 C ATOM 1138 NH1 ARG A 75 -12.546 -18.769 -15.669 1.00 34.44 N ATOM 1139 NH2 ARG A 75 -10.380 -19.513 -15.805 1.00 61.54 N ATOM 0 H ARG A 75 -9.481 -13.119 -14.942 1.00 25.10 H new ATOM 0 HA ARG A 75 -11.034 -12.074 -12.954 1.00 41.23 H new ATOM 0 HB2 ARG A 75 -12.139 -14.510 -13.170 1.00 31.12 H new ATOM 0 HB3 ARG A 75 -12.283 -13.296 -14.426 1.00 31.12 H new ATOM 0 HG2 ARG A 75 -10.872 -14.405 -15.870 1.00 4.34 H new ATOM 0 HG3 ARG A 75 -9.895 -15.082 -14.583 1.00 4.34 H new ATOM 0 HD2 ARG A 75 -12.235 -16.362 -14.068 1.00 52.41 H new ATOM 0 HD3 ARG A 75 -12.430 -16.110 -15.791 1.00 52.41 H new ATOM 0 HE ARG A 75 -9.800 -17.172 -15.200 1.00 12.21 H new ATOM 0 HH11 ARG A 75 -13.214 -18.018 -15.495 1.00 34.44 H new ATOM 0 HH12 ARG A 75 -12.879 -19.702 -15.913 1.00 34.44 H new ATOM 0 HH21 ARG A 75 -9.378 -19.335 -15.736 1.00 61.54 H new ATOM 0 HH22 ARG A 75 -10.717 -20.444 -16.048 1.00 61.54 H new ATOM 1153 N VAL A 76 -9.943 -14.986 -11.848 1.00 21.44 N ATOM 1154 CA VAL A 76 -9.574 -15.719 -10.642 1.00 14.20 C ATOM 1155 C VAL A 76 -8.811 -16.993 -10.985 1.00 3.11 C ATOM 1156 O VAL A 76 -8.708 -17.373 -12.152 1.00 24.11 O ATOM 1157 CB VAL A 76 -10.815 -16.086 -9.807 1.00 74.20 C ATOM 1158 CG1 VAL A 76 -11.261 -14.902 -8.963 1.00 52.21 C ATOM 1159 CG2 VAL A 76 -11.943 -16.562 -10.710 1.00 60.15 C ATOM 0 H VAL A 76 -9.984 -15.557 -12.692 1.00 21.44 H new ATOM 0 HA VAL A 76 -8.932 -15.061 -10.056 1.00 14.20 H new ATOM 0 HB VAL A 76 -10.550 -16.901 -9.134 1.00 74.20 H new ATOM 0 HG11 VAL A 76 -12.139 -15.181 -8.380 1.00 52.21 H new ATOM 0 HG12 VAL A 76 -10.455 -14.612 -8.289 1.00 52.21 H new ATOM 0 HG13 VAL A 76 -11.509 -14.064 -9.614 1.00 52.21 H new ATOM 0 HG21 VAL A 76 -12.812 -16.817 -10.103 1.00 60.15 H new ATOM 0 HG22 VAL A 76 -12.209 -15.769 -11.409 1.00 60.15 H new ATOM 0 HG23 VAL A 76 -11.618 -17.442 -11.266 1.00 60.15 H new ATOM 1169 N LEU A 77 -8.277 -17.650 -9.961 1.00 1.41 N ATOM 1170 CA LEU A 77 -7.522 -18.883 -10.153 1.00 20.10 C ATOM 1171 C LEU A 77 -8.415 -19.987 -10.709 1.00 35.44 C ATOM 1172 O LEU A 77 -9.641 -19.870 -10.707 1.00 54.43 O ATOM 1173 CB LEU A 77 -6.898 -19.333 -8.831 1.00 63.30 C ATOM 1174 CG LEU A 77 -5.923 -18.351 -8.181 1.00 24.45 C ATOM 1175 CD1 LEU A 77 -5.127 -19.038 -7.081 1.00 71.34 C ATOM 1176 CD2 LEU A 77 -4.989 -17.756 -9.225 1.00 32.15 C ATOM 0 H LEU A 77 -8.353 -17.349 -8.989 1.00 1.41 H new ATOM 0 HA LEU A 77 -6.728 -18.686 -10.874 1.00 20.10 H new ATOM 0 HB2 LEU A 77 -7.702 -19.538 -8.124 1.00 63.30 H new ATOM 0 HB3 LEU A 77 -6.375 -20.274 -9.001 1.00 63.30 H new ATOM 0 HG LEU A 77 -6.498 -17.541 -7.733 1.00 24.45 H new ATOM 0 HD11 LEU A 77 -4.438 -18.324 -6.630 1.00 71.34 H new ATOM 0 HD12 LEU A 77 -5.809 -19.415 -6.319 1.00 71.34 H new ATOM 0 HD13 LEU A 77 -4.562 -19.868 -7.505 1.00 71.34 H new ATOM 0 HD21 LEU A 77 -4.302 -17.059 -8.744 1.00 32.15 H new ATOM 0 HD22 LEU A 77 -4.421 -18.554 -9.702 1.00 32.15 H new ATOM 0 HD23 LEU A 77 -5.574 -17.227 -9.977 1.00 32.15 H new ATOM 1188 N THR A 78 -7.794 -21.063 -11.182 1.00 44.10 N ATOM 1189 CA THR A 78 -8.532 -22.189 -11.740 1.00 23.14 C ATOM 1190 C THR A 78 -8.155 -23.492 -11.044 1.00 23.10 C ATOM 1191 O THR A 78 -7.492 -23.484 -10.007 1.00 4.10 O ATOM 1192 CB THR A 78 -8.276 -22.335 -13.252 1.00 30.14 C ATOM 1193 OG1 THR A 78 -9.202 -23.270 -13.817 1.00 42.20 O ATOM 1194 CG2 THR A 78 -6.852 -22.800 -13.517 1.00 52.03 C ATOM 0 H THR A 78 -6.781 -21.178 -11.190 1.00 44.10 H new ATOM 0 HA THR A 78 -9.590 -21.986 -11.576 1.00 23.14 H new ATOM 0 HB THR A 78 -8.415 -21.360 -13.718 1.00 30.14 H new ATOM 0 HG1 THR A 78 -9.034 -23.356 -14.779 1.00 42.20 H new ATOM 0 HG21 THR A 78 -6.695 -22.896 -14.591 1.00 52.03 H new ATOM 0 HG22 THR A 78 -6.150 -22.072 -13.111 1.00 52.03 H new ATOM 0 HG23 THR A 78 -6.690 -23.766 -13.039 1.00 52.03 H new ATOM 1202 N SER A 79 -8.581 -24.611 -11.622 1.00 12.25 N ATOM 1203 CA SER A 79 -8.291 -25.922 -11.055 1.00 24.54 C ATOM 1204 C SER A 79 -6.842 -26.321 -11.321 1.00 10.52 C ATOM 1205 O SER A 79 -6.573 -27.356 -11.929 1.00 52.23 O ATOM 1206 CB SER A 79 -9.236 -26.974 -11.638 1.00 61.40 C ATOM 1207 OG SER A 79 -10.517 -26.898 -11.037 1.00 51.14 O ATOM 0 H SER A 79 -9.128 -24.635 -12.483 1.00 12.25 H new ATOM 0 HA SER A 79 -8.442 -25.865 -9.977 1.00 24.54 H new ATOM 0 HB2 SER A 79 -9.327 -26.829 -12.715 1.00 61.40 H new ATOM 0 HB3 SER A 79 -8.817 -27.969 -11.484 1.00 61.40 H new ATOM 0 HG SER A 79 -11.103 -27.579 -11.428 1.00 51.14 H new ATOM 1213 N ALA A 80 -5.913 -25.490 -10.860 1.00 4.10 N ATOM 1214 CA ALA A 80 -4.491 -25.755 -11.046 1.00 13.12 C ATOM 1215 C ALA A 80 -3.640 -24.683 -10.373 1.00 35.11 C ATOM 1216 O ALA A 80 -2.588 -24.978 -9.808 1.00 31.22 O ATOM 1217 CB ALA A 80 -4.160 -25.841 -12.528 1.00 41.03 C ATOM 0 H ALA A 80 -6.119 -24.628 -10.355 1.00 4.10 H new ATOM 0 HA ALA A 80 -4.261 -26.712 -10.577 1.00 13.12 H new ATOM 0 HB1 ALA A 80 -3.095 -26.039 -12.652 1.00 41.03 H new ATOM 0 HB2 ALA A 80 -4.735 -26.648 -12.983 1.00 41.03 H new ATOM 0 HB3 ALA A 80 -4.412 -24.898 -13.013 1.00 41.03 H new ATOM 1223 N GLU A 81 -4.103 -23.439 -10.439 1.00 15.33 N ATOM 1224 CA GLU A 81 -3.383 -22.323 -9.837 1.00 24.35 C ATOM 1225 C GLU A 81 -3.628 -22.266 -8.332 1.00 12.05 C ATOM 1226 O GLU A 81 -2.692 -22.134 -7.542 1.00 72.11 O ATOM 1227 CB GLU A 81 -3.807 -21.004 -10.484 1.00 41.43 C ATOM 1228 CG GLU A 81 -3.424 -20.895 -11.951 1.00 13.33 C ATOM 1229 CD GLU A 81 -3.246 -19.458 -12.402 1.00 32.00 C ATOM 1230 OE1 GLU A 81 -2.503 -18.713 -11.729 1.00 33.23 O ATOM 1231 OE2 GLU A 81 -3.849 -19.078 -13.427 1.00 73.53 O ATOM 0 H GLU A 81 -4.973 -23.179 -10.903 1.00 15.33 H new ATOM 0 HA GLU A 81 -2.318 -22.477 -10.009 1.00 24.35 H new ATOM 0 HB2 GLU A 81 -4.887 -20.894 -10.390 1.00 41.43 H new ATOM 0 HB3 GLU A 81 -3.353 -20.178 -9.936 1.00 41.43 H new ATOM 0 HG2 GLU A 81 -2.498 -21.443 -12.123 1.00 13.33 H new ATOM 0 HG3 GLU A 81 -4.193 -21.370 -12.560 1.00 13.33 H new ATOM 1238 N THR A 82 -4.895 -22.365 -7.940 1.00 61.42 N ATOM 1239 CA THR A 82 -5.265 -22.323 -6.531 1.00 71.22 C ATOM 1240 C THR A 82 -4.772 -23.564 -5.796 1.00 34.21 C ATOM 1241 O THR A 82 -4.370 -23.492 -4.634 1.00 52.14 O ATOM 1242 CB THR A 82 -6.791 -22.208 -6.355 1.00 1.34 C ATOM 1243 OG1 THR A 82 -7.401 -21.834 -7.595 1.00 61.31 O ATOM 1244 CG2 THR A 82 -7.136 -21.182 -5.285 1.00 62.22 C ATOM 0 H THR A 82 -5.682 -22.475 -8.579 1.00 61.42 H new ATOM 0 HA THR A 82 -4.790 -21.439 -6.105 1.00 71.22 H new ATOM 0 HB THR A 82 -7.173 -23.180 -6.042 1.00 1.34 H new ATOM 0 HG1 THR A 82 -8.371 -21.765 -7.475 1.00 61.31 H new ATOM 0 HG21 THR A 82 -8.219 -21.118 -5.178 1.00 62.22 H new ATOM 0 HG22 THR A 82 -6.695 -21.484 -4.335 1.00 62.22 H new ATOM 0 HG23 THR A 82 -6.742 -20.208 -5.574 1.00 62.22 H new ATOM 1252 N LYS A 83 -4.805 -24.703 -6.479 1.00 74.32 N ATOM 1253 CA LYS A 83 -4.360 -25.961 -5.892 1.00 72.51 C ATOM 1254 C LYS A 83 -2.841 -25.990 -5.753 1.00 54.23 C ATOM 1255 O LYS A 83 -2.312 -26.342 -4.700 1.00 4.42 O ATOM 1256 CB LYS A 83 -4.827 -27.141 -6.748 1.00 42.14 C ATOM 1257 CG LYS A 83 -6.319 -27.133 -7.033 1.00 23.31 C ATOM 1258 CD LYS A 83 -6.864 -28.543 -7.185 1.00 75.25 C ATOM 1259 CE LYS A 83 -8.379 -28.543 -7.322 1.00 53.34 C ATOM 1260 NZ LYS A 83 -9.056 -28.494 -5.997 1.00 10.43 N ATOM 0 H LYS A 83 -5.136 -24.781 -7.441 1.00 74.32 H new ATOM 0 HA LYS A 83 -4.800 -26.044 -4.898 1.00 72.51 H new ATOM 0 HB2 LYS A 83 -4.285 -27.130 -7.694 1.00 42.14 H new ATOM 0 HB3 LYS A 83 -4.567 -28.071 -6.242 1.00 42.14 H new ATOM 0 HG2 LYS A 83 -6.843 -26.625 -6.223 1.00 23.31 H new ATOM 0 HG3 LYS A 83 -6.514 -26.566 -7.944 1.00 23.31 H new ATOM 0 HD2 LYS A 83 -6.418 -29.014 -8.061 1.00 75.25 H new ATOM 0 HD3 LYS A 83 -6.576 -29.141 -6.320 1.00 75.25 H new ATOM 0 HE2 LYS A 83 -8.689 -27.686 -7.920 1.00 53.34 H new ATOM 0 HE3 LYS A 83 -8.695 -29.438 -7.858 1.00 53.34 H new ATOM 0 HZ1 LYS A 83 -10.087 -28.496 -6.134 1.00 10.43 H new ATOM 0 HZ2 LYS A 83 -8.780 -29.325 -5.435 1.00 10.43 H new ATOM 0 HZ3 LYS A 83 -8.775 -27.628 -5.495 1.00 10.43 H new ATOM 1274 N ALA A 84 -2.147 -25.616 -6.823 1.00 1.21 N ATOM 1275 CA ALA A 84 -0.689 -25.595 -6.818 1.00 75.25 C ATOM 1276 C ALA A 84 -0.159 -24.499 -5.901 1.00 43.44 C ATOM 1277 O ALA A 84 1.040 -24.430 -5.628 1.00 33.44 O ATOM 1278 CB ALA A 84 -0.160 -25.406 -8.232 1.00 51.33 C ATOM 0 H ALA A 84 -2.570 -25.324 -7.704 1.00 1.21 H new ATOM 0 HA ALA A 84 -0.337 -26.553 -6.435 1.00 75.25 H new ATOM 0 HB1 ALA A 84 0.930 -25.392 -8.214 1.00 51.33 H new ATOM 0 HB2 ALA A 84 -0.502 -26.228 -8.861 1.00 51.33 H new ATOM 0 HB3 ALA A 84 -0.528 -24.463 -8.635 1.00 51.33 H new ATOM 1284 N PHE A 85 -1.058 -23.641 -5.430 1.00 20.31 N ATOM 1285 CA PHE A 85 -0.680 -22.546 -4.545 1.00 25.25 C ATOM 1286 C PHE A 85 -1.056 -22.860 -3.100 1.00 14.15 C ATOM 1287 O PHE A 85 -0.249 -22.690 -2.184 1.00 74.25 O ATOM 1288 CB PHE A 85 -1.354 -21.247 -4.989 1.00 11.42 C ATOM 1289 CG PHE A 85 -0.832 -20.028 -4.283 1.00 22.35 C ATOM 1290 CD1 PHE A 85 0.379 -19.464 -4.650 1.00 21.00 C ATOM 1291 CD2 PHE A 85 -1.552 -19.448 -3.251 1.00 4.43 C ATOM 1292 CE1 PHE A 85 0.862 -18.343 -4.002 1.00 44.44 C ATOM 1293 CE2 PHE A 85 -1.074 -18.326 -2.600 1.00 24.01 C ATOM 1294 CZ PHE A 85 0.135 -17.774 -2.975 1.00 44.42 C ATOM 0 H PHE A 85 -2.054 -23.683 -5.647 1.00 20.31 H new ATOM 0 HA PHE A 85 0.402 -22.423 -4.602 1.00 25.25 H new ATOM 0 HB2 PHE A 85 -1.214 -21.123 -6.063 1.00 11.42 H new ATOM 0 HB3 PHE A 85 -2.427 -21.326 -4.815 1.00 11.42 H new ATOM 0 HD1 PHE A 85 0.952 -19.905 -5.452 1.00 21.00 H new ATOM 0 HD2 PHE A 85 -2.497 -19.877 -2.952 1.00 4.43 H new ATOM 0 HE1 PHE A 85 1.807 -17.912 -4.298 1.00 44.44 H new ATOM 0 HE2 PHE A 85 -1.646 -17.882 -1.799 1.00 24.01 H new ATOM 0 HZ PHE A 85 0.511 -16.899 -2.466 1.00 44.42 H new ATOM 1304 N LEU A 86 -2.288 -23.318 -2.902 1.00 4.42 N ATOM 1305 CA LEU A 86 -2.773 -23.655 -1.568 1.00 75.13 C ATOM 1306 C LEU A 86 -2.039 -24.871 -1.013 1.00 74.40 C ATOM 1307 O LEU A 86 -1.481 -24.825 0.083 1.00 41.15 O ATOM 1308 CB LEU A 86 -4.278 -23.927 -1.606 1.00 14.30 C ATOM 1309 CG LEU A 86 -5.046 -23.633 -0.317 1.00 0.34 C ATOM 1310 CD1 LEU A 86 -6.496 -23.291 -0.624 1.00 64.24 C ATOM 1311 CD2 LEU A 86 -4.966 -24.818 0.634 1.00 23.30 C ATOM 0 H LEU A 86 -2.968 -23.464 -3.648 1.00 4.42 H new ATOM 0 HA LEU A 86 -2.579 -22.806 -0.912 1.00 75.13 H new ATOM 0 HB2 LEU A 86 -4.714 -23.333 -2.409 1.00 14.30 H new ATOM 0 HB3 LEU A 86 -4.431 -24.974 -1.866 1.00 14.30 H new ATOM 0 HG LEU A 86 -4.586 -22.772 0.168 1.00 0.34 H new ATOM 0 HD11 LEU A 86 -7.026 -23.085 0.306 1.00 64.24 H new ATOM 0 HD12 LEU A 86 -6.534 -22.411 -1.266 1.00 64.24 H new ATOM 0 HD13 LEU A 86 -6.968 -24.132 -1.132 1.00 64.24 H new ATOM 0 HD21 LEU A 86 -5.518 -24.591 1.546 1.00 23.30 H new ATOM 0 HD22 LEU A 86 -5.399 -25.697 0.157 1.00 23.30 H new ATOM 0 HD23 LEU A 86 -3.923 -25.016 0.881 1.00 23.30 H new ATOM 1323 N ALA A 87 -2.043 -25.958 -1.778 1.00 32.44 N ATOM 1324 CA ALA A 87 -1.374 -27.186 -1.364 1.00 52.31 C ATOM 1325 C ALA A 87 0.136 -26.990 -1.293 1.00 24.22 C ATOM 1326 O ALA A 87 0.854 -27.825 -0.743 1.00 45.30 O ATOM 1327 CB ALA A 87 -1.717 -28.321 -2.318 1.00 11.34 C ATOM 0 H ALA A 87 -2.502 -26.013 -2.687 1.00 32.44 H new ATOM 0 HA ALA A 87 -1.728 -27.446 -0.366 1.00 52.31 H new ATOM 0 HB1 ALA A 87 -1.211 -29.232 -1.997 1.00 11.34 H new ATOM 0 HB2 ALA A 87 -2.795 -28.485 -2.316 1.00 11.34 H new ATOM 0 HB3 ALA A 87 -1.391 -28.061 -3.325 1.00 11.34 H new ATOM 1333 N ALA A 88 0.612 -25.883 -1.853 1.00 2.10 N ATOM 1334 CA ALA A 88 2.037 -25.578 -1.851 1.00 45.35 C ATOM 1335 C ALA A 88 2.380 -24.563 -0.766 1.00 44.55 C ATOM 1336 O ALA A 88 3.515 -24.504 -0.294 1.00 14.13 O ATOM 1337 CB ALA A 88 2.468 -25.060 -3.216 1.00 71.31 C ATOM 0 H ALA A 88 0.031 -25.182 -2.314 1.00 2.10 H new ATOM 0 HA ALA A 88 2.580 -26.498 -1.636 1.00 45.35 H new ATOM 0 HB1 ALA A 88 3.535 -24.836 -3.200 1.00 71.31 H new ATOM 0 HB2 ALA A 88 2.268 -25.818 -3.973 1.00 71.31 H new ATOM 0 HB3 ALA A 88 1.911 -24.154 -3.454 1.00 71.31 H new ATOM 1343 N GLY A 89 1.392 -23.763 -0.376 1.00 70.24 N ATOM 1344 CA GLY A 89 1.610 -22.760 0.650 1.00 60.34 C ATOM 1345 C GLY A 89 1.111 -23.205 2.010 1.00 4.03 C ATOM 1346 O GLY A 89 1.878 -23.259 2.972 1.00 33.53 O ATOM 0 H GLY A 89 0.444 -23.792 -0.752 1.00 70.24 H new ATOM 0 HA2 GLY A 89 2.675 -22.534 0.713 1.00 60.34 H new ATOM 0 HA3 GLY A 89 1.105 -21.837 0.365 1.00 60.34 H new ATOM 1350 N ASP A 90 -0.176 -23.522 2.092 1.00 20.10 N ATOM 1351 CA ASP A 90 -0.777 -23.964 3.345 1.00 4.44 C ATOM 1352 C ASP A 90 0.043 -25.086 3.975 1.00 72.02 C ATOM 1353 O ASP A 90 0.189 -26.163 3.396 1.00 71.20 O ATOM 1354 CB ASP A 90 -2.213 -24.434 3.110 1.00 64.13 C ATOM 1355 CG ASP A 90 -2.739 -25.280 4.252 1.00 75.51 C ATOM 1356 OD1 ASP A 90 -2.612 -24.849 5.417 1.00 73.52 O ATOM 1357 OD2 ASP A 90 -3.278 -26.374 3.981 1.00 72.31 O ATOM 0 H ASP A 90 -0.824 -23.481 1.305 1.00 20.10 H new ATOM 0 HA ASP A 90 -0.789 -23.118 4.032 1.00 4.44 H new ATOM 0 HB2 ASP A 90 -2.859 -23.566 2.977 1.00 64.13 H new ATOM 0 HB3 ASP A 90 -2.257 -25.009 2.185 1.00 64.13 H new ATOM 1362 N THR A 91 0.577 -24.827 5.164 1.00 2.42 N ATOM 1363 CA THR A 91 1.384 -25.813 5.871 1.00 33.24 C ATOM 1364 C THR A 91 0.734 -26.210 7.192 1.00 73.31 C ATOM 1365 O THR A 91 0.883 -27.342 7.652 1.00 34.34 O ATOM 1366 CB THR A 91 2.803 -25.283 6.150 1.00 70.42 C ATOM 1367 OG1 THR A 91 2.733 -23.971 6.718 1.00 2.10 O ATOM 1368 CG2 THR A 91 3.627 -25.245 4.871 1.00 14.14 C ATOM 0 H THR A 91 0.465 -23.942 5.658 1.00 2.42 H new ATOM 0 HA THR A 91 1.452 -26.688 5.224 1.00 33.24 H new ATOM 0 HB THR A 91 3.287 -25.958 6.856 1.00 70.42 H new ATOM 0 HG1 THR A 91 3.639 -23.642 6.894 1.00 2.10 H new ATOM 0 HG21 THR A 91 4.625 -24.867 5.092 1.00 14.14 H new ATOM 0 HG22 THR A 91 3.703 -26.250 4.457 1.00 14.14 H new ATOM 0 HG23 THR A 91 3.144 -24.590 4.146 1.00 14.14 H new ATOM 1376 N ASP A 92 0.012 -25.273 7.796 1.00 2.31 N ATOM 1377 CA ASP A 92 -0.663 -25.526 9.064 1.00 44.31 C ATOM 1378 C ASP A 92 -1.646 -26.684 8.934 1.00 34.40 C ATOM 1379 O ASP A 92 -1.780 -27.503 9.842 1.00 21.42 O ATOM 1380 CB ASP A 92 -1.395 -24.269 9.536 1.00 53.22 C ATOM 1381 CG ASP A 92 -0.621 -23.512 10.597 1.00 52.41 C ATOM 1382 OD1 ASP A 92 0.616 -23.675 10.659 1.00 14.53 O ATOM 1383 OD2 ASP A 92 -1.252 -22.755 11.364 1.00 31.34 O ATOM 0 H ASP A 92 -0.121 -24.331 7.428 1.00 2.31 H new ATOM 0 HA ASP A 92 0.092 -25.796 9.802 1.00 44.31 H new ATOM 0 HB2 ASP A 92 -1.573 -23.614 8.683 1.00 53.22 H new ATOM 0 HB3 ASP A 92 -2.371 -24.548 9.932 1.00 53.22 H new ATOM 1388 N GLY A 93 -2.335 -26.746 7.798 1.00 45.42 N ATOM 1389 CA GLY A 93 -3.298 -27.807 7.570 1.00 12.55 C ATOM 1390 C GLY A 93 -4.605 -27.290 7.003 1.00 74.55 C ATOM 1391 O GLY A 93 -5.054 -27.743 5.949 1.00 31.12 O ATOM 0 H GLY A 93 -2.243 -26.080 7.031 1.00 45.42 H new ATOM 0 HA2 GLY A 93 -2.872 -28.539 6.884 1.00 12.55 H new ATOM 0 HA3 GLY A 93 -3.492 -28.325 8.509 1.00 12.55 H new ATOM 1395 N ASP A 94 -5.219 -26.342 7.702 1.00 61.22 N ATOM 1396 CA ASP A 94 -6.483 -25.764 7.261 1.00 33.44 C ATOM 1397 C ASP A 94 -6.397 -25.313 5.807 1.00 51.12 C ATOM 1398 O ASP A 94 -5.310 -25.063 5.287 1.00 33.50 O ATOM 1399 CB ASP A 94 -6.867 -24.582 8.153 1.00 24.53 C ATOM 1400 CG ASP A 94 -7.060 -24.989 9.601 1.00 2.51 C ATOM 1401 OD1 ASP A 94 -7.382 -26.169 9.848 1.00 60.42 O ATOM 1402 OD2 ASP A 94 -6.890 -24.125 10.488 1.00 63.24 O ATOM 0 H ASP A 94 -4.862 -25.957 8.577 1.00 61.22 H new ATOM 0 HA ASP A 94 -7.252 -26.533 7.339 1.00 33.44 H new ATOM 0 HB2 ASP A 94 -6.091 -23.818 8.093 1.00 24.53 H new ATOM 0 HB3 ASP A 94 -7.787 -24.132 7.779 1.00 24.53 H new ATOM 1407 N GLY A 95 -7.551 -25.211 5.154 1.00 32.13 N ATOM 1408 CA GLY A 95 -7.584 -24.791 3.766 1.00 62.14 C ATOM 1409 C GLY A 95 -7.398 -23.295 3.608 1.00 64.12 C ATOM 1410 O GLY A 95 -8.257 -22.610 3.053 1.00 44.25 O ATOM 0 H GLY A 95 -8.464 -25.412 5.562 1.00 32.13 H new ATOM 0 HA2 GLY A 95 -6.802 -25.312 3.214 1.00 62.14 H new ATOM 0 HA3 GLY A 95 -8.536 -25.084 3.323 1.00 62.14 H new ATOM 1414 N LYS A 96 -6.273 -22.785 4.099 1.00 71.43 N ATOM 1415 CA LYS A 96 -5.976 -21.361 4.011 1.00 43.35 C ATOM 1416 C LYS A 96 -4.478 -21.107 4.154 1.00 74.53 C ATOM 1417 O LYS A 96 -3.710 -22.023 4.449 1.00 32.43 O ATOM 1418 CB LYS A 96 -6.739 -20.592 5.091 1.00 54.51 C ATOM 1419 CG LYS A 96 -6.651 -21.227 6.467 1.00 33.45 C ATOM 1420 CD LYS A 96 -7.349 -20.380 7.519 1.00 63.43 C ATOM 1421 CE LYS A 96 -8.091 -21.244 8.528 1.00 43.54 C ATOM 1422 NZ LYS A 96 -9.301 -21.875 7.933 1.00 15.24 N ATOM 0 H LYS A 96 -5.552 -23.338 4.562 1.00 71.43 H new ATOM 0 HA LYS A 96 -6.294 -21.010 3.030 1.00 43.35 H new ATOM 0 HB2 LYS A 96 -6.350 -19.575 5.144 1.00 54.51 H new ATOM 0 HB3 LYS A 96 -7.787 -20.518 4.801 1.00 54.51 H new ATOM 0 HG2 LYS A 96 -7.101 -22.219 6.440 1.00 33.45 H new ATOM 0 HG3 LYS A 96 -5.604 -21.359 6.741 1.00 33.45 H new ATOM 0 HD2 LYS A 96 -6.615 -19.763 8.037 1.00 63.43 H new ATOM 0 HD3 LYS A 96 -8.050 -19.701 7.034 1.00 63.43 H new ATOM 0 HE2 LYS A 96 -7.423 -22.020 8.902 1.00 43.54 H new ATOM 0 HE3 LYS A 96 -8.382 -20.635 9.383 1.00 43.54 H new ATOM 0 HZ1 LYS A 96 -9.426 -22.828 8.330 1.00 15.24 H new ATOM 0 HZ2 LYS A 96 -10.137 -21.297 8.151 1.00 15.24 H new ATOM 0 HZ3 LYS A 96 -9.186 -21.942 6.902 1.00 15.24 H new ATOM 1436 N ILE A 97 -4.071 -19.860 3.944 1.00 72.22 N ATOM 1437 CA ILE A 97 -2.666 -19.487 4.052 1.00 32.44 C ATOM 1438 C ILE A 97 -2.508 -18.129 4.727 1.00 35.13 C ATOM 1439 O ILE A 97 -3.046 -17.126 4.260 1.00 12.03 O ATOM 1440 CB ILE A 97 -1.987 -19.444 2.671 1.00 51.42 C ATOM 1441 CG1 ILE A 97 -1.943 -20.844 2.055 1.00 3.35 C ATOM 1442 CG2 ILE A 97 -0.585 -18.866 2.788 1.00 5.12 C ATOM 1443 CD1 ILE A 97 -1.348 -20.874 0.665 1.00 71.11 C ATOM 0 H ILE A 97 -4.694 -19.091 3.698 1.00 72.22 H new ATOM 0 HA ILE A 97 -2.183 -20.251 4.661 1.00 32.44 H new ATOM 0 HB ILE A 97 -2.571 -18.798 2.016 1.00 51.42 H new ATOM 0 HG12 ILE A 97 -1.363 -21.500 2.704 1.00 3.35 H new ATOM 0 HG13 ILE A 97 -2.955 -21.247 2.017 1.00 3.35 H new ATOM 0 HG21 ILE A 97 -0.118 -18.842 1.803 1.00 5.12 H new ATOM 0 HG22 ILE A 97 -0.641 -17.853 3.188 1.00 5.12 H new ATOM 0 HG23 ILE A 97 0.010 -19.488 3.457 1.00 5.12 H new ATOM 0 HD11 ILE A 97 -1.349 -21.898 0.291 1.00 71.11 H new ATOM 0 HD12 ILE A 97 -1.941 -20.245 0.002 1.00 71.11 H new ATOM 0 HD13 ILE A 97 -0.324 -20.501 0.699 1.00 71.11 H new ATOM 1455 N GLY A 98 -1.765 -18.105 5.829 1.00 1.44 N ATOM 1456 CA GLY A 98 -1.548 -16.864 6.550 1.00 3.12 C ATOM 1457 C GLY A 98 -0.267 -16.169 6.135 1.00 44.55 C ATOM 1458 O GLY A 98 -0.102 -15.796 4.973 1.00 73.44 O ATOM 0 H GLY A 98 -1.310 -18.922 6.235 1.00 1.44 H new ATOM 0 HA2 GLY A 98 -2.392 -16.196 6.379 1.00 3.12 H new ATOM 0 HA3 GLY A 98 -1.516 -17.070 7.620 1.00 3.12 H new ATOM 1462 N VAL A 99 0.644 -15.991 7.086 1.00 1.34 N ATOM 1463 CA VAL A 99 1.917 -15.335 6.813 1.00 2.54 C ATOM 1464 C VAL A 99 3.077 -16.318 6.925 1.00 41.43 C ATOM 1465 O VAL A 99 3.861 -16.475 5.990 1.00 63.13 O ATOM 1466 CB VAL A 99 2.161 -14.159 7.778 1.00 12.30 C ATOM 1467 CG1 VAL A 99 2.020 -12.831 7.049 1.00 74.43 C ATOM 1468 CG2 VAL A 99 1.205 -14.232 8.959 1.00 55.02 C ATOM 0 H VAL A 99 0.524 -16.292 8.053 1.00 1.34 H new ATOM 0 HA VAL A 99 1.864 -14.954 5.793 1.00 2.54 H new ATOM 0 HB VAL A 99 3.180 -14.230 8.159 1.00 12.30 H new ATOM 0 HG11 VAL A 99 2.196 -12.012 7.747 1.00 74.43 H new ATOM 0 HG12 VAL A 99 2.749 -12.781 6.240 1.00 74.43 H new ATOM 0 HG13 VAL A 99 1.014 -12.747 6.637 1.00 74.43 H new ATOM 0 HG21 VAL A 99 1.391 -13.394 9.630 1.00 55.02 H new ATOM 0 HG22 VAL A 99 0.177 -14.187 8.599 1.00 55.02 H new ATOM 0 HG23 VAL A 99 1.360 -15.168 9.496 1.00 55.02 H new ATOM 1478 N GLU A 100 3.179 -16.977 8.075 1.00 52.24 N ATOM 1479 CA GLU A 100 4.244 -17.945 8.308 1.00 40.13 C ATOM 1480 C GLU A 100 4.236 -19.031 7.236 1.00 44.13 C ATOM 1481 O GLU A 100 5.284 -19.563 6.870 1.00 51.34 O ATOM 1482 CB GLU A 100 4.094 -18.579 9.692 1.00 15.33 C ATOM 1483 CG GLU A 100 5.187 -18.177 10.668 1.00 50.23 C ATOM 1484 CD GLU A 100 5.412 -19.214 11.751 1.00 10.53 C ATOM 1485 OE1 GLU A 100 4.877 -20.334 11.619 1.00 21.42 O ATOM 1486 OE2 GLU A 100 6.122 -18.904 12.731 1.00 61.43 O ATOM 0 H GLU A 100 2.538 -16.858 8.859 1.00 52.24 H new ATOM 0 HA GLU A 100 5.196 -17.417 8.260 1.00 40.13 H new ATOM 0 HB2 GLU A 100 3.126 -18.298 10.108 1.00 15.33 H new ATOM 0 HB3 GLU A 100 4.093 -19.664 9.587 1.00 15.33 H new ATOM 0 HG2 GLU A 100 6.117 -18.020 10.122 1.00 50.23 H new ATOM 0 HG3 GLU A 100 4.924 -17.225 11.130 1.00 50.23 H new ATOM 1493 N GLU A 101 3.047 -19.354 6.738 1.00 60.43 N ATOM 1494 CA GLU A 101 2.903 -20.378 5.709 1.00 40.30 C ATOM 1495 C GLU A 101 3.130 -19.788 4.320 1.00 72.42 C ATOM 1496 O GLU A 101 3.457 -20.506 3.375 1.00 64.24 O ATOM 1497 CB GLU A 101 1.514 -21.016 5.784 1.00 43.22 C ATOM 1498 CG GLU A 101 1.073 -21.348 7.199 1.00 33.51 C ATOM 1499 CD GLU A 101 -0.348 -21.874 7.259 1.00 55.35 C ATOM 1500 OE1 GLU A 101 -0.697 -22.739 6.429 1.00 60.23 O ATOM 1501 OE2 GLU A 101 -1.112 -21.419 8.136 1.00 52.11 O ATOM 0 H GLU A 101 2.170 -18.922 7.030 1.00 60.43 H new ATOM 0 HA GLU A 101 3.657 -21.145 5.887 1.00 40.30 H new ATOM 0 HB2 GLU A 101 0.787 -20.338 5.335 1.00 43.22 H new ATOM 0 HB3 GLU A 101 1.510 -21.928 5.188 1.00 43.22 H new ATOM 0 HG2 GLU A 101 1.750 -22.091 7.622 1.00 33.51 H new ATOM 0 HG3 GLU A 101 1.152 -20.455 7.819 1.00 33.51 H new ATOM 1508 N PHE A 102 2.953 -18.476 4.204 1.00 75.51 N ATOM 1509 CA PHE A 102 3.136 -17.790 2.931 1.00 50.33 C ATOM 1510 C PHE A 102 4.612 -17.739 2.548 1.00 61.23 C ATOM 1511 O PHE A 102 5.020 -18.307 1.535 1.00 25.23 O ATOM 1512 CB PHE A 102 2.568 -16.371 3.006 1.00 41.12 C ATOM 1513 CG PHE A 102 2.630 -15.631 1.700 1.00 13.44 C ATOM 1514 CD1 PHE A 102 1.694 -15.872 0.707 1.00 1.43 C ATOM 1515 CD2 PHE A 102 3.624 -14.694 1.466 1.00 33.22 C ATOM 1516 CE1 PHE A 102 1.748 -15.192 -0.495 1.00 54.21 C ATOM 1517 CE2 PHE A 102 3.682 -14.011 0.266 1.00 21.11 C ATOM 1518 CZ PHE A 102 2.744 -14.261 -0.716 1.00 73.12 C ATOM 0 H PHE A 102 2.683 -17.867 4.976 1.00 75.51 H new ATOM 0 HA PHE A 102 2.599 -18.349 2.165 1.00 50.33 H new ATOM 0 HB2 PHE A 102 1.531 -16.420 3.338 1.00 41.12 H new ATOM 0 HB3 PHE A 102 3.117 -15.808 3.760 1.00 41.12 H new ATOM 0 HD1 PHE A 102 0.913 -16.599 0.874 1.00 1.43 H new ATOM 0 HD2 PHE A 102 4.361 -14.495 2.230 1.00 33.22 H new ATOM 0 HE1 PHE A 102 1.012 -15.388 -1.261 1.00 54.21 H new ATOM 0 HE2 PHE A 102 4.461 -13.282 0.096 1.00 21.11 H new ATOM 0 HZ PHE A 102 2.789 -13.730 -1.655 1.00 73.12 H new ATOM 1528 N GLN A 103 5.406 -17.054 3.365 1.00 61.44 N ATOM 1529 CA GLN A 103 6.836 -16.928 3.111 1.00 64.41 C ATOM 1530 C GLN A 103 7.488 -18.300 2.972 1.00 74.54 C ATOM 1531 O GLN A 103 8.525 -18.443 2.325 1.00 62.21 O ATOM 1532 CB GLN A 103 7.509 -16.144 4.239 1.00 53.22 C ATOM 1533 CG GLN A 103 7.208 -16.692 5.624 1.00 13.34 C ATOM 1534 CD GLN A 103 7.940 -15.942 6.720 1.00 33.21 C ATOM 1535 OE1 GLN A 103 7.469 -14.913 7.206 1.00 71.14 O ATOM 1536 NE2 GLN A 103 9.099 -16.455 7.116 1.00 34.33 N ATOM 0 H GLN A 103 5.083 -16.578 4.208 1.00 61.44 H new ATOM 0 HA GLN A 103 6.966 -16.387 2.174 1.00 64.41 H new ATOM 0 HB2 GLN A 103 8.588 -16.150 4.081 1.00 53.22 H new ATOM 0 HB3 GLN A 103 7.186 -15.104 4.191 1.00 53.22 H new ATOM 0 HG2 GLN A 103 6.135 -16.638 5.807 1.00 13.34 H new ATOM 0 HG3 GLN A 103 7.485 -17.745 5.662 1.00 13.34 H new ATOM 0 HE21 GLN A 103 9.452 -17.310 6.686 1.00 34.33 H new ATOM 0 HE22 GLN A 103 9.636 -15.994 7.850 1.00 34.33 H new ATOM 1545 N SER A 104 6.872 -19.307 3.583 1.00 34.20 N ATOM 1546 CA SER A 104 7.394 -20.668 3.531 1.00 53.33 C ATOM 1547 C SER A 104 7.315 -21.226 2.113 1.00 51.31 C ATOM 1548 O SER A 104 7.920 -22.253 1.803 1.00 44.54 O ATOM 1549 CB SER A 104 6.618 -21.572 4.491 1.00 53.44 C ATOM 1550 OG SER A 104 7.017 -22.924 4.353 1.00 63.23 O ATOM 0 H SER A 104 6.011 -19.206 4.120 1.00 34.20 H new ATOM 0 HA SER A 104 8.440 -20.641 3.835 1.00 53.33 H new ATOM 0 HB2 SER A 104 6.783 -21.244 5.517 1.00 53.44 H new ATOM 0 HB3 SER A 104 5.549 -21.483 4.295 1.00 53.44 H new ATOM 0 HG SER A 104 7.435 -23.054 3.476 1.00 63.23 H new ATOM 1556 N LEU A 105 6.564 -20.542 1.256 1.00 24.20 N ATOM 1557 CA LEU A 105 6.405 -20.968 -0.130 1.00 70.11 C ATOM 1558 C LEU A 105 7.277 -20.131 -1.061 1.00 22.44 C ATOM 1559 O LEU A 105 7.921 -20.660 -1.967 1.00 42.20 O ATOM 1560 CB LEU A 105 4.939 -20.860 -0.552 1.00 53.52 C ATOM 1561 CG LEU A 105 4.644 -21.127 -2.029 1.00 12.53 C ATOM 1562 CD1 LEU A 105 3.263 -21.742 -2.194 1.00 50.03 C ATOM 1563 CD2 LEU A 105 4.757 -19.842 -2.836 1.00 44.31 C ATOM 0 H LEU A 105 6.056 -19.691 1.497 1.00 24.20 H new ATOM 0 HA LEU A 105 6.722 -22.008 -0.203 1.00 70.11 H new ATOM 0 HB2 LEU A 105 4.357 -21.561 0.047 1.00 53.52 H new ATOM 0 HB3 LEU A 105 4.584 -19.859 -0.306 1.00 53.52 H new ATOM 0 HG LEU A 105 5.382 -21.835 -2.405 1.00 12.53 H new ATOM 0 HD11 LEU A 105 3.070 -21.925 -3.251 1.00 50.03 H new ATOM 0 HD12 LEU A 105 3.217 -22.684 -1.648 1.00 50.03 H new ATOM 0 HD13 LEU A 105 2.511 -21.058 -1.801 1.00 50.03 H new ATOM 0 HD21 LEU A 105 4.544 -20.051 -3.884 1.00 44.31 H new ATOM 0 HD22 LEU A 105 4.041 -19.111 -2.459 1.00 44.31 H new ATOM 0 HD23 LEU A 105 5.767 -19.442 -2.744 1.00 44.31 H new ATOM 1575 N VAL A 106 7.295 -18.823 -0.829 1.00 10.42 N ATOM 1576 CA VAL A 106 8.091 -17.913 -1.644 1.00 12.41 C ATOM 1577 C VAL A 106 9.578 -18.226 -1.525 1.00 70.53 C ATOM 1578 O VAL A 106 10.306 -18.221 -2.518 1.00 4.32 O ATOM 1579 CB VAL A 106 7.853 -16.445 -1.241 1.00 63.02 C ATOM 1580 CG1 VAL A 106 8.722 -15.515 -2.074 1.00 65.32 C ATOM 1581 CG2 VAL A 106 6.382 -16.085 -1.385 1.00 44.23 C ATOM 0 H VAL A 106 6.767 -18.369 -0.083 1.00 10.42 H new ATOM 0 HA VAL A 106 7.775 -18.055 -2.677 1.00 12.41 H new ATOM 0 HB VAL A 106 8.132 -16.324 -0.194 1.00 63.02 H new ATOM 0 HG11 VAL A 106 8.540 -14.483 -1.775 1.00 65.32 H new ATOM 0 HG12 VAL A 106 9.772 -15.759 -1.915 1.00 65.32 H new ATOM 0 HG13 VAL A 106 8.477 -15.636 -3.129 1.00 65.32 H new ATOM 0 HG21 VAL A 106 6.232 -15.045 -1.096 1.00 44.23 H new ATOM 0 HG22 VAL A 106 6.074 -16.222 -2.421 1.00 44.23 H new ATOM 0 HG23 VAL A 106 5.785 -16.730 -0.741 1.00 44.23 H new ATOM 1591 N LYS A 107 10.023 -18.501 -0.304 1.00 4.01 N ATOM 1592 CA LYS A 107 11.424 -18.820 -0.053 1.00 40.45 C ATOM 1593 C LYS A 107 11.842 -20.073 -0.816 1.00 53.10 C ATOM 1594 O LYS A 107 13.030 -20.319 -1.021 1.00 51.11 O ATOM 1595 CB LYS A 107 11.663 -19.018 1.445 1.00 62.00 C ATOM 1596 CG LYS A 107 11.614 -17.728 2.245 1.00 50.21 C ATOM 1597 CD LYS A 107 12.729 -17.667 3.275 1.00 64.40 C ATOM 1598 CE LYS A 107 14.005 -17.088 2.682 1.00 13.12 C ATOM 1599 NZ LYS A 107 14.887 -18.148 2.120 1.00 35.00 N ATOM 0 H LYS A 107 9.433 -18.509 0.528 1.00 4.01 H new ATOM 0 HA LYS A 107 12.029 -17.984 -0.403 1.00 40.45 H new ATOM 0 HB2 LYS A 107 10.914 -19.707 1.836 1.00 62.00 H new ATOM 0 HB3 LYS A 107 12.635 -19.489 1.590 1.00 62.00 H new ATOM 0 HG2 LYS A 107 11.695 -16.877 1.569 1.00 50.21 H new ATOM 0 HG3 LYS A 107 10.650 -17.646 2.746 1.00 50.21 H new ATOM 0 HD2 LYS A 107 12.411 -17.058 4.121 1.00 64.40 H new ATOM 0 HD3 LYS A 107 12.926 -18.668 3.659 1.00 64.40 H new ATOM 0 HE2 LYS A 107 13.750 -16.375 1.898 1.00 13.12 H new ATOM 0 HE3 LYS A 107 14.545 -16.536 3.451 1.00 13.12 H new ATOM 0 HZ1 LYS A 107 15.847 -17.769 1.992 1.00 35.00 H new ATOM 0 HZ2 LYS A 107 14.919 -18.956 2.774 1.00 35.00 H new ATOM 0 HZ3 LYS A 107 14.512 -18.460 1.201 1.00 35.00 H new ATOM 1613 N ALA A 108 10.857 -20.861 -1.235 1.00 31.03 N ATOM 1614 CA ALA A 108 11.123 -22.087 -1.978 1.00 14.43 C ATOM 1615 C ALA A 108 10.964 -21.865 -3.478 1.00 15.41 C ATOM 1616 O ALA A 108 10.171 -22.541 -4.135 1.00 24.53 O ATOM 1617 CB ALA A 108 10.199 -23.200 -1.506 1.00 64.31 C ATOM 0 H ALA A 108 9.868 -20.672 -1.073 1.00 31.03 H new ATOM 0 HA ALA A 108 12.155 -22.381 -1.789 1.00 14.43 H new ATOM 0 HB1 ALA A 108 10.408 -24.110 -2.069 1.00 64.31 H new ATOM 0 HB2 ALA A 108 10.364 -23.384 -0.444 1.00 64.31 H new ATOM 0 HB3 ALA A 108 9.162 -22.905 -1.666 1.00 64.31 H new TER 1623 ALA A 108