USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 989 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 104 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 107 GLN : amide:sc= 0.0292 X(o=0.029,f=0.28) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 7 ASN : amide:sc= 0.839 K(o=0.84,f=-4.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0749 (180deg=-0.357) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.04 K(o=-1,f=-5.6!) USER MOD Single : A 23 ASN : amide:sc= -2.21! K(o=-2.2!,f=-0.45) USER MOD Single : A 26 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1 K(o=-1,f=0) USER MOD Single : A 34 GLN : amide:sc= -1.6! K(o=-1.6!,f=-1) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= 0.996 (180deg=0.738) USER MOD Single : A 50 TYR OH : rot 50:sc= 0.087 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -41:sc= 1.01 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 16:sc= 0.475 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -45:sc= -0.0864 USER MOD Single : A 80 GLN : amide:sc= -0.266 K(o=-0.27,f=-1) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -23:sc= 0.0973 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0.647 K(o=0.65,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 122 LYS NZ :NH3+ 150:sc= -0.0831 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.634 -14.471 16.068 1.00 24.15 N ATOM 2 CA GLY A 1 22.836 -14.526 15.225 1.00 45.13 C ATOM 3 C GLY A 1 23.538 -13.181 15.290 1.00 63.31 C ATOM 4 O GLY A 1 24.068 -12.812 16.333 1.00 43.34 O ATOM 0 H1 GLY A 1 21.143 -15.387 16.033 1.00 24.15 H new ATOM 0 H2 GLY A 1 21.908 -14.263 17.049 1.00 24.15 H new ATOM 0 H3 GLY A 1 20.999 -13.724 15.719 1.00 24.15 H new ATOM 0 HA2 GLY A 1 23.503 -15.317 15.568 1.00 45.13 H new ATOM 0 HA3 GLY A 1 22.565 -14.762 14.196 1.00 45.13 H new ATOM 8 N SER A 2 23.550 -12.444 14.184 1.00 65.43 N ATOM 9 CA SER A 2 24.134 -11.112 14.029 1.00 21.44 C ATOM 10 C SER A 2 23.026 -10.226 13.447 1.00 43.32 C ATOM 11 O SER A 2 22.009 -10.758 12.998 1.00 43.34 O ATOM 12 CB SER A 2 25.415 -11.147 13.178 1.00 5.10 C ATOM 13 OG SER A 2 25.511 -12.281 12.329 1.00 41.33 O ATOM 0 H SER A 2 23.127 -12.779 13.318 1.00 65.43 H new ATOM 0 HA SER A 2 24.467 -10.702 14.982 1.00 21.44 H new ATOM 0 HB2 SER A 2 25.459 -10.244 12.569 1.00 5.10 H new ATOM 0 HB3 SER A 2 26.280 -11.127 13.841 1.00 5.10 H new ATOM 0 HG SER A 2 26.346 -12.237 11.818 1.00 41.33 H new ATOM 19 N ASN A 3 23.175 -8.902 13.447 1.00 21.52 N ATOM 20 CA ASN A 3 22.160 -7.979 12.933 1.00 4.14 C ATOM 21 C ASN A 3 22.864 -7.246 11.821 1.00 43.41 C ATOM 22 O ASN A 3 23.513 -6.225 12.050 1.00 13.04 O ATOM 23 CB ASN A 3 21.602 -7.043 14.023 1.00 75.13 C ATOM 24 CG ASN A 3 21.633 -7.677 15.397 1.00 2.24 C ATOM 25 OD1 ASN A 3 20.838 -8.540 15.756 1.00 12.14 O ATOM 26 ND2 ASN A 3 22.659 -7.326 16.154 1.00 73.00 N ATOM 0 H ASN A 3 24.008 -8.435 13.806 1.00 21.52 H new ATOM 0 HA ASN A 3 21.270 -8.497 12.576 1.00 4.14 H new ATOM 0 HB2 ASN A 3 22.182 -6.120 14.038 1.00 75.13 H new ATOM 0 HB3 ASN A 3 20.576 -6.771 13.774 1.00 75.13 H new ATOM 0 HD21 ASN A 3 22.803 -7.776 17.058 1.00 73.00 H new ATOM 0 HD22 ASN A 3 23.306 -6.606 15.834 1.00 73.00 H new ATOM 33 N GLN A 4 22.842 -7.874 10.654 1.00 11.33 N ATOM 34 CA GLN A 4 23.463 -7.371 9.455 1.00 4.43 C ATOM 35 C GLN A 4 22.354 -6.834 8.547 1.00 41.40 C ATOM 36 O GLN A 4 22.088 -5.635 8.569 1.00 5.44 O ATOM 37 CB GLN A 4 24.300 -8.475 8.796 1.00 0.03 C ATOM 38 CG GLN A 4 25.550 -9.010 9.523 1.00 31.21 C ATOM 39 CD GLN A 4 26.378 -9.804 8.508 1.00 13.21 C ATOM 40 OE1 GLN A 4 25.816 -10.433 7.609 1.00 70.13 O ATOM 41 NE2 GLN A 4 27.695 -9.812 8.591 1.00 74.23 N ATOM 0 H GLN A 4 22.377 -8.772 10.520 1.00 11.33 H new ATOM 0 HA GLN A 4 24.155 -6.557 9.671 1.00 4.43 H new ATOM 0 HB2 GLN A 4 23.639 -9.322 8.614 1.00 0.03 H new ATOM 0 HB3 GLN A 4 24.621 -8.106 7.822 1.00 0.03 H new ATOM 0 HG2 GLN A 4 26.135 -8.187 9.933 1.00 31.21 H new ATOM 0 HG3 GLN A 4 25.262 -9.645 10.361 1.00 31.21 H new ATOM 0 HE21 GLN A 4 28.162 -9.292 9.334 1.00 74.23 H new ATOM 0 HE22 GLN A 4 28.246 -10.338 7.912 1.00 74.23 H new ATOM 50 N GLN A 5 21.688 -7.693 7.769 1.00 55.10 N ATOM 51 CA GLN A 5 20.618 -7.312 6.851 1.00 30.14 C ATOM 52 C GLN A 5 19.252 -7.655 7.447 1.00 30.33 C ATOM 53 O GLN A 5 19.108 -8.695 8.093 1.00 54.35 O ATOM 54 CB GLN A 5 20.814 -8.034 5.505 1.00 12.54 C ATOM 55 CG GLN A 5 21.584 -7.214 4.458 1.00 65.35 C ATOM 56 CD GLN A 5 23.104 -7.323 4.518 1.00 43.00 C ATOM 57 OE1 GLN A 5 23.695 -7.902 5.427 1.00 1.13 O ATOM 58 NE2 GLN A 5 23.771 -6.748 3.531 1.00 11.23 N ATOM 0 H GLN A 5 21.885 -8.694 7.762 1.00 55.10 H new ATOM 0 HA GLN A 5 20.656 -6.235 6.688 1.00 30.14 H new ATOM 0 HB2 GLN A 5 21.346 -8.969 5.681 1.00 12.54 H new ATOM 0 HB3 GLN A 5 19.836 -8.295 5.099 1.00 12.54 H new ATOM 0 HG2 GLN A 5 21.255 -7.525 3.466 1.00 65.35 H new ATOM 0 HG3 GLN A 5 21.309 -6.165 4.571 1.00 65.35 H new ATOM 0 HE21 GLN A 5 23.266 -6.271 2.784 1.00 11.23 H new ATOM 0 HE22 GLN A 5 24.790 -6.781 3.517 1.00 11.23 H new ATOM 67 N LEU A 6 18.263 -6.806 7.149 1.00 3.24 N ATOM 68 CA LEU A 6 16.877 -6.897 7.599 1.00 40.12 C ATOM 69 C LEU A 6 16.196 -8.149 7.044 1.00 70.43 C ATOM 70 O LEU A 6 15.812 -9.051 7.791 1.00 15.44 O ATOM 71 CB LEU A 6 16.093 -5.649 7.129 1.00 2.10 C ATOM 72 CG LEU A 6 16.675 -4.279 7.520 1.00 43.21 C ATOM 73 CD1 LEU A 6 15.824 -3.204 6.836 1.00 44.21 C ATOM 74 CD2 LEU A 6 16.750 -4.039 9.033 1.00 25.50 C ATOM 0 H LEU A 6 18.421 -5.993 6.554 1.00 3.24 H new ATOM 0 HA LEU A 6 16.880 -6.953 8.688 1.00 40.12 H new ATOM 0 HB2 LEU A 6 16.013 -5.687 6.043 1.00 2.10 H new ATOM 0 HB3 LEU A 6 15.080 -5.714 7.526 1.00 2.10 H new ATOM 0 HG LEU A 6 17.712 -4.241 7.185 1.00 43.21 H new ATOM 0 HD11 LEU A 6 16.210 -2.217 7.092 1.00 44.21 H new ATOM 0 HD12 LEU A 6 15.865 -3.340 5.755 1.00 44.21 H new ATOM 0 HD13 LEU A 6 14.791 -3.289 7.173 1.00 44.21 H new ATOM 0 HD21 LEU A 6 17.171 -3.052 9.224 1.00 25.50 H new ATOM 0 HD22 LEU A 6 15.749 -4.096 9.460 1.00 25.50 H new ATOM 0 HD23 LEU A 6 17.383 -4.799 9.491 1.00 25.50 H new ATOM 86 N ASN A 7 16.106 -8.217 5.708 1.00 72.30 N ATOM 87 CA ASN A 7 15.468 -9.289 4.951 1.00 33.21 C ATOM 88 C ASN A 7 13.987 -9.372 5.348 1.00 25.44 C ATOM 89 O ASN A 7 13.444 -8.485 6.014 1.00 23.11 O ATOM 90 CB ASN A 7 16.276 -10.602 5.057 1.00 10.00 C ATOM 91 CG ASN A 7 16.086 -11.543 3.868 1.00 71.50 C ATOM 92 OD1 ASN A 7 15.055 -12.193 3.742 1.00 31.15 O ATOM 93 ND2 ASN A 7 17.060 -11.641 2.980 1.00 14.41 N ATOM 0 H ASN A 7 16.495 -7.492 5.105 1.00 72.30 H new ATOM 0 HA ASN A 7 15.474 -9.075 3.882 1.00 33.21 H new ATOM 0 HB2 ASN A 7 17.335 -10.359 5.150 1.00 10.00 H new ATOM 0 HB3 ASN A 7 15.987 -11.123 5.970 1.00 10.00 H new ATOM 0 HD21 ASN A 7 16.958 -12.263 2.178 1.00 14.41 H new ATOM 0 HD22 ASN A 7 17.913 -11.094 3.097 1.00 14.41 H new ATOM 100 N ALA A 8 13.287 -10.383 4.851 1.00 34.30 N ATOM 101 CA ALA A 8 11.894 -10.606 5.135 1.00 1.12 C ATOM 102 C ALA A 8 11.712 -10.840 6.627 1.00 45.11 C ATOM 103 O ALA A 8 12.356 -11.731 7.189 1.00 73.22 O ATOM 104 CB ALA A 8 11.433 -11.849 4.370 1.00 54.23 C ATOM 0 H ALA A 8 13.690 -11.081 4.226 1.00 34.30 H new ATOM 0 HA ALA A 8 11.308 -9.738 4.831 1.00 1.12 H new ATOM 0 HB1 ALA A 8 10.378 -12.032 4.575 1.00 54.23 H new ATOM 0 HB2 ALA A 8 11.573 -11.691 3.301 1.00 54.23 H new ATOM 0 HB3 ALA A 8 12.019 -12.711 4.689 1.00 54.23 H new ATOM 110 N THR A 9 10.858 -10.049 7.263 1.00 72.14 N ATOM 111 CA THR A 9 10.583 -10.230 8.672 1.00 72.23 C ATOM 112 C THR A 9 9.835 -11.559 8.817 1.00 22.02 C ATOM 113 O THR A 9 10.339 -12.475 9.473 1.00 4.03 O ATOM 114 CB THR A 9 9.748 -9.081 9.267 1.00 11.14 C ATOM 115 OG1 THR A 9 8.810 -8.517 8.360 1.00 14.35 O ATOM 116 CG2 THR A 9 10.597 -7.981 9.885 1.00 30.43 C ATOM 0 H THR A 9 10.349 -9.282 6.824 1.00 72.14 H new ATOM 0 HA THR A 9 11.523 -10.234 9.223 1.00 72.23 H new ATOM 0 HB THR A 9 9.180 -9.563 10.063 1.00 11.14 H new ATOM 0 HG1 THR A 9 8.316 -7.797 8.805 1.00 14.35 H new ATOM 0 HG21 THR A 9 9.948 -7.202 10.286 1.00 30.43 H new ATOM 0 HG22 THR A 9 11.203 -8.398 10.689 1.00 30.43 H new ATOM 0 HG23 THR A 9 11.249 -7.553 9.123 1.00 30.43 H new ATOM 124 N LYS A 10 8.670 -11.697 8.156 1.00 43.45 N ATOM 125 CA LYS A 10 7.840 -12.899 8.259 1.00 64.33 C ATOM 126 C LYS A 10 7.164 -13.386 6.974 1.00 20.32 C ATOM 127 O LYS A 10 7.107 -14.595 6.760 1.00 4.53 O ATOM 128 CB LYS A 10 6.763 -12.601 9.313 1.00 64.02 C ATOM 129 CG LYS A 10 6.300 -13.880 10.000 1.00 54.24 C ATOM 130 CD LYS A 10 4.925 -13.705 10.641 1.00 42.52 C ATOM 131 CE LYS A 10 4.639 -14.986 11.421 1.00 51.12 C ATOM 132 NZ LYS A 10 4.710 -14.742 12.865 1.00 50.51 N ATOM 0 H LYS A 10 8.285 -10.980 7.541 1.00 43.45 H new ATOM 0 HA LYS A 10 8.514 -13.715 8.520 1.00 64.33 H new ATOM 0 HB2 LYS A 10 7.158 -11.908 10.056 1.00 64.02 H new ATOM 0 HB3 LYS A 10 5.913 -12.110 8.840 1.00 64.02 H new ATOM 0 HG2 LYS A 10 6.263 -14.692 9.273 1.00 54.24 H new ATOM 0 HG3 LYS A 10 7.024 -14.167 10.762 1.00 54.24 H new ATOM 0 HD2 LYS A 10 4.914 -12.838 11.302 1.00 42.52 H new ATOM 0 HD3 LYS A 10 4.162 -13.536 9.881 1.00 42.52 H new ATOM 0 HE2 LYS A 10 3.651 -15.364 11.159 1.00 51.12 H new ATOM 0 HE3 LYS A 10 5.358 -15.756 11.142 1.00 51.12 H new ATOM 0 HZ1 LYS A 10 4.512 -15.626 13.377 1.00 50.51 H new ATOM 0 HZ2 LYS A 10 5.661 -14.403 13.113 1.00 50.51 H new ATOM 0 HZ3 LYS A 10 4.007 -14.024 13.131 1.00 50.51 H new ATOM 146 N LYS A 11 6.564 -12.515 6.160 1.00 42.52 N ATOM 147 CA LYS A 11 5.887 -12.894 4.918 1.00 1.40 C ATOM 148 C LYS A 11 6.586 -12.278 3.709 1.00 61.34 C ATOM 149 O LYS A 11 7.162 -11.191 3.782 1.00 4.32 O ATOM 150 CB LYS A 11 4.423 -12.444 4.973 1.00 51.33 C ATOM 151 CG LYS A 11 3.461 -13.429 5.615 1.00 52.20 C ATOM 152 CD LYS A 11 3.590 -13.445 7.138 1.00 52.54 C ATOM 153 CE LYS A 11 2.535 -14.339 7.769 1.00 12.34 C ATOM 154 NZ LYS A 11 1.154 -13.969 7.395 1.00 43.21 N ATOM 0 H LYS A 11 6.534 -11.513 6.348 1.00 42.52 H new ATOM 0 HA LYS A 11 5.927 -13.978 4.814 1.00 1.40 H new ATOM 0 HB2 LYS A 11 4.371 -11.502 5.520 1.00 51.33 H new ATOM 0 HB3 LYS A 11 4.085 -12.242 3.957 1.00 51.33 H new ATOM 0 HG2 LYS A 11 2.439 -13.169 5.340 1.00 52.20 H new ATOM 0 HG3 LYS A 11 3.651 -14.429 5.224 1.00 52.20 H new ATOM 0 HD2 LYS A 11 4.583 -13.796 7.418 1.00 52.54 H new ATOM 0 HD3 LYS A 11 3.490 -12.431 7.525 1.00 52.54 H new ATOM 0 HE2 LYS A 11 2.720 -15.372 7.473 1.00 12.34 H new ATOM 0 HE3 LYS A 11 2.634 -14.296 8.854 1.00 12.34 H new ATOM 0 HZ1 LYS A 11 0.485 -14.408 8.059 1.00 43.21 H new ATOM 0 HZ2 LYS A 11 1.050 -12.935 7.431 1.00 43.21 H new ATOM 0 HZ3 LYS A 11 0.954 -14.303 6.431 1.00 43.21 H new ATOM 168 N ASP A 12 6.488 -12.974 2.585 1.00 32.10 N ATOM 169 CA ASP A 12 7.025 -12.662 1.273 1.00 2.24 C ATOM 170 C ASP A 12 6.412 -11.359 0.804 1.00 42.04 C ATOM 171 O ASP A 12 7.118 -10.432 0.414 1.00 21.01 O ATOM 172 CB ASP A 12 6.793 -13.851 0.316 1.00 51.23 C ATOM 173 CG ASP A 12 5.458 -13.924 -0.444 1.00 1.20 C ATOM 174 OD1 ASP A 12 4.378 -13.935 0.172 1.00 61.34 O ATOM 175 OD2 ASP A 12 5.495 -14.040 -1.689 1.00 53.45 O ATOM 0 H ASP A 12 5.980 -13.858 2.571 1.00 32.10 H new ATOM 0 HA ASP A 12 8.105 -12.516 1.303 1.00 2.24 H new ATOM 0 HB2 ASP A 12 7.596 -13.846 -0.421 1.00 51.23 H new ATOM 0 HB3 ASP A 12 6.897 -14.769 0.895 1.00 51.23 H new ATOM 180 N LYS A 13 5.099 -11.241 0.973 1.00 33.23 N ATOM 181 CA LYS A 13 4.382 -10.049 0.591 1.00 52.23 C ATOM 182 C LYS A 13 4.860 -8.843 1.410 1.00 21.32 C ATOM 183 O LYS A 13 5.092 -7.787 0.847 1.00 25.50 O ATOM 184 CB LYS A 13 2.874 -10.274 0.752 1.00 40.42 C ATOM 185 CG LYS A 13 2.279 -11.484 -0.003 1.00 44.40 C ATOM 186 CD LYS A 13 2.529 -11.548 -1.531 1.00 41.30 C ATOM 187 CE LYS A 13 1.314 -12.160 -2.252 1.00 55.24 C ATOM 188 NZ LYS A 13 1.564 -12.576 -3.658 1.00 64.43 N ATOM 0 H LYS A 13 4.512 -11.971 1.378 1.00 33.23 H new ATOM 0 HA LYS A 13 4.585 -9.832 -0.458 1.00 52.23 H new ATOM 0 HB2 LYS A 13 2.657 -10.392 1.814 1.00 40.42 H new ATOM 0 HB3 LYS A 13 2.356 -9.374 0.419 1.00 40.42 H new ATOM 0 HG2 LYS A 13 2.679 -12.394 0.445 1.00 44.40 H new ATOM 0 HG3 LYS A 13 1.202 -11.493 0.165 1.00 44.40 H new ATOM 0 HD2 LYS A 13 2.721 -10.547 -1.916 1.00 41.30 H new ATOM 0 HD3 LYS A 13 3.418 -12.144 -1.735 1.00 41.30 H new ATOM 0 HE2 LYS A 13 0.974 -13.028 -1.687 1.00 55.24 H new ATOM 0 HE3 LYS A 13 0.501 -11.434 -2.242 1.00 55.24 H new ATOM 0 HZ1 LYS A 13 0.693 -12.975 -4.062 1.00 64.43 H new ATOM 0 HZ2 LYS A 13 1.858 -11.750 -4.217 1.00 64.43 H new ATOM 0 HZ3 LYS A 13 2.316 -13.294 -3.679 1.00 64.43 H new ATOM 202 N LEU A 14 5.043 -8.947 2.727 1.00 61.55 N ATOM 203 CA LEU A 14 5.473 -7.780 3.506 1.00 1.21 C ATOM 204 C LEU A 14 6.916 -7.383 3.211 1.00 24.04 C ATOM 205 O LEU A 14 7.265 -6.220 3.384 1.00 62.13 O ATOM 206 CB LEU A 14 5.287 -7.981 5.018 1.00 62.32 C ATOM 207 CG LEU A 14 3.998 -8.711 5.402 1.00 31.15 C ATOM 208 CD1 LEU A 14 3.886 -8.900 6.914 1.00 62.41 C ATOM 209 CD2 LEU A 14 2.735 -8.150 4.755 1.00 33.15 C ATOM 0 H LEU A 14 4.905 -9.801 3.267 1.00 61.55 H new ATOM 0 HA LEU A 14 4.822 -6.965 3.188 1.00 1.21 H new ATOM 0 HB2 LEU A 14 6.138 -8.542 5.406 1.00 62.32 H new ATOM 0 HB3 LEU A 14 5.298 -7.007 5.506 1.00 62.32 H new ATOM 0 HG LEU A 14 4.079 -9.707 4.967 1.00 31.15 H new ATOM 0 HD11 LEU A 14 2.958 -9.422 7.148 1.00 62.41 H new ATOM 0 HD12 LEU A 14 4.732 -9.487 7.271 1.00 62.41 H new ATOM 0 HD13 LEU A 14 3.888 -7.926 7.404 1.00 62.41 H new ATOM 0 HD21 LEU A 14 1.871 -8.728 5.083 1.00 33.15 H new ATOM 0 HD22 LEU A 14 2.608 -7.108 5.049 1.00 33.15 H new ATOM 0 HD23 LEU A 14 2.823 -8.213 3.670 1.00 33.15 H new ATOM 221 N GLN A 15 7.758 -8.315 2.758 1.00 22.25 N ATOM 222 CA GLN A 15 9.161 -8.020 2.465 1.00 0.03 C ATOM 223 C GLN A 15 9.321 -6.897 1.429 1.00 45.44 C ATOM 224 O GLN A 15 10.074 -5.950 1.661 1.00 12.34 O ATOM 225 CB GLN A 15 9.862 -9.320 2.017 1.00 54.34 C ATOM 226 CG GLN A 15 11.354 -9.072 1.723 1.00 40.01 C ATOM 227 CD GLN A 15 11.951 -10.139 0.815 1.00 74.00 C ATOM 228 OE1 GLN A 15 12.304 -11.224 1.249 1.00 14.35 O ATOM 229 NE2 GLN A 15 12.170 -9.856 -0.455 1.00 23.30 N ATOM 0 H GLN A 15 7.490 -9.284 2.586 1.00 22.25 H new ATOM 0 HA GLN A 15 9.637 -7.648 3.373 1.00 0.03 H new ATOM 0 HB2 GLN A 15 9.762 -10.077 2.795 1.00 54.34 H new ATOM 0 HB3 GLN A 15 9.373 -9.712 1.125 1.00 54.34 H new ATOM 0 HG2 GLN A 15 11.472 -8.094 1.256 1.00 40.01 H new ATOM 0 HG3 GLN A 15 11.907 -9.046 2.662 1.00 40.01 H new ATOM 0 HE21 GLN A 15 11.881 -8.954 -0.834 1.00 23.30 H new ATOM 0 HE22 GLN A 15 12.628 -10.539 -1.058 1.00 23.30 H new ATOM 238 N VAL A 16 8.620 -6.991 0.299 1.00 0.15 N ATOM 239 CA VAL A 16 8.690 -5.997 -0.766 1.00 0.42 C ATOM 240 C VAL A 16 8.157 -4.636 -0.281 1.00 44.23 C ATOM 241 O VAL A 16 8.638 -3.607 -0.747 1.00 2.54 O ATOM 242 CB VAL A 16 8.008 -6.535 -2.052 1.00 72.23 C ATOM 243 CG1 VAL A 16 8.380 -7.992 -2.383 1.00 15.31 C ATOM 244 CG2 VAL A 16 6.488 -6.575 -1.963 1.00 2.43 C ATOM 0 H VAL A 16 7.985 -7.764 0.098 1.00 0.15 H new ATOM 0 HA VAL A 16 9.730 -5.817 -1.036 1.00 0.42 H new ATOM 0 HB VAL A 16 8.364 -5.833 -2.806 1.00 72.23 H new ATOM 0 HG11 VAL A 16 7.867 -8.301 -3.294 1.00 15.31 H new ATOM 0 HG12 VAL A 16 9.457 -8.068 -2.530 1.00 15.31 H new ATOM 0 HG13 VAL A 16 8.079 -8.640 -1.560 1.00 15.31 H new ATOM 0 HG21 VAL A 16 6.079 -6.961 -2.897 1.00 2.43 H new ATOM 0 HG22 VAL A 16 6.189 -7.224 -1.140 1.00 2.43 H new ATOM 0 HG23 VAL A 16 6.107 -5.569 -1.789 1.00 2.43 H new ATOM 254 N ILE A 17 7.165 -4.620 0.621 1.00 0.41 N ATOM 255 CA ILE A 17 6.581 -3.396 1.155 1.00 23.01 C ATOM 256 C ILE A 17 7.541 -2.706 2.120 1.00 12.35 C ATOM 257 O ILE A 17 7.649 -1.487 2.124 1.00 32.21 O ATOM 258 CB ILE A 17 5.225 -3.660 1.826 1.00 65.21 C ATOM 259 CG1 ILE A 17 4.201 -4.372 0.900 1.00 24.11 C ATOM 260 CG2 ILE A 17 4.706 -2.267 2.242 1.00 53.41 C ATOM 261 CD1 ILE A 17 2.951 -4.762 1.701 1.00 14.24 C ATOM 0 H ILE A 17 6.746 -5.469 1.000 1.00 0.41 H new ATOM 0 HA ILE A 17 6.405 -2.726 0.313 1.00 23.01 H new ATOM 0 HB ILE A 17 5.349 -4.340 2.669 1.00 65.21 H new ATOM 0 HG12 ILE A 17 3.924 -3.714 0.076 1.00 24.11 H new ATOM 0 HG13 ILE A 17 4.653 -5.261 0.460 1.00 24.11 H new ATOM 0 HG21 ILE A 17 3.737 -2.371 2.730 1.00 53.41 H new ATOM 0 HG22 ILE A 17 5.413 -1.807 2.932 1.00 53.41 H new ATOM 0 HG23 ILE A 17 4.601 -1.639 1.357 1.00 53.41 H new ATOM 0 HD11 ILE A 17 2.239 -5.261 1.044 1.00 14.24 H new ATOM 0 HD12 ILE A 17 3.233 -5.437 2.509 1.00 14.24 H new ATOM 0 HD13 ILE A 17 2.493 -3.866 2.120 1.00 14.24 H new ATOM 273 N ASP A 18 8.226 -3.467 2.952 1.00 22.03 N ATOM 274 CA ASP A 18 9.184 -2.933 3.904 1.00 22.13 C ATOM 275 C ASP A 18 10.326 -2.207 3.172 1.00 71.32 C ATOM 276 O ASP A 18 10.852 -1.233 3.698 1.00 51.20 O ATOM 277 CB ASP A 18 9.747 -4.106 4.674 1.00 43.44 C ATOM 278 CG ASP A 18 10.683 -3.644 5.780 1.00 74.11 C ATOM 279 OD1 ASP A 18 10.205 -3.067 6.786 1.00 3.31 O ATOM 280 OD2 ASP A 18 11.854 -4.087 5.733 1.00 62.43 O ATOM 0 H ASP A 18 8.133 -4.482 2.987 1.00 22.03 H new ATOM 0 HA ASP A 18 8.699 -2.217 4.567 1.00 22.13 H new ATOM 0 HB2 ASP A 18 8.931 -4.686 5.104 1.00 43.44 H new ATOM 0 HB3 ASP A 18 10.284 -4.767 3.993 1.00 43.44 H new ATOM 285 N TRP A 19 10.701 -2.659 1.959 1.00 33.10 N ATOM 286 CA TRP A 19 11.796 -2.034 1.173 1.00 22.22 C ATOM 287 C TRP A 19 11.592 -0.548 0.893 1.00 42.45 C ATOM 288 O TRP A 19 12.399 0.290 1.287 1.00 24.24 O ATOM 289 CB TRP A 19 11.981 -2.784 -0.171 1.00 44.31 C ATOM 290 CG TRP A 19 13.015 -2.245 -1.127 1.00 52.51 C ATOM 291 CD1 TRP A 19 12.790 -1.320 -2.086 1.00 2.33 C ATOM 292 CD2 TRP A 19 14.422 -2.604 -1.273 1.00 63.13 C ATOM 293 NE1 TRP A 19 13.898 -1.209 -2.903 1.00 75.41 N ATOM 294 CE2 TRP A 19 14.960 -1.942 -2.424 1.00 33.42 C ATOM 295 CE3 TRP A 19 15.282 -3.464 -0.563 1.00 72.55 C ATOM 296 CZ2 TRP A 19 16.272 -2.162 -2.884 1.00 21.00 C ATOM 297 CZ3 TRP A 19 16.586 -3.719 -1.020 1.00 35.02 C ATOM 298 CH2 TRP A 19 17.078 -3.066 -2.162 1.00 64.44 C ATOM 0 H TRP A 19 10.264 -3.456 1.497 1.00 33.10 H new ATOM 0 HA TRP A 19 12.689 -2.116 1.793 1.00 22.22 H new ATOM 0 HB2 TRP A 19 12.236 -3.820 0.053 1.00 44.31 H new ATOM 0 HB3 TRP A 19 11.020 -2.797 -0.685 1.00 44.31 H new ATOM 0 HD1 TRP A 19 11.878 -0.752 -2.197 1.00 2.33 H new ATOM 0 HE1 TRP A 19 13.926 -0.652 -3.757 1.00 75.41 H new ATOM 0 HE3 TRP A 19 14.934 -3.934 0.345 1.00 72.55 H new ATOM 0 HZ2 TRP A 19 16.649 -1.655 -3.760 1.00 21.00 H new ATOM 0 HZ3 TRP A 19 17.213 -4.421 -0.490 1.00 35.02 H new ATOM 0 HH2 TRP A 19 18.088 -3.259 -2.492 1.00 64.44 H new ATOM 309 N LEU A 20 10.469 -0.191 0.289 1.00 0.03 N ATOM 310 CA LEU A 20 10.111 1.179 -0.096 1.00 63.00 C ATOM 311 C LEU A 20 9.923 2.290 0.860 1.00 53.44 C ATOM 312 O LEU A 20 10.176 3.462 0.554 1.00 42.31 O ATOM 313 CB LEU A 20 9.040 1.022 -1.180 1.00 34.54 C ATOM 314 CG LEU A 20 7.737 0.262 -0.743 1.00 42.24 C ATOM 315 CD1 LEU A 20 6.545 1.190 -0.549 1.00 21.10 C ATOM 316 CD2 LEU A 20 7.250 -0.808 -1.740 1.00 64.23 C ATOM 0 H LEU A 20 9.749 -0.869 0.041 1.00 0.03 H new ATOM 0 HA LEU A 20 11.046 1.636 -0.420 1.00 63.00 H new ATOM 0 HB2 LEU A 20 8.759 2.014 -1.534 1.00 34.54 H new ATOM 0 HB3 LEU A 20 9.480 0.494 -2.026 1.00 34.54 H new ATOM 0 HG LEU A 20 8.052 -0.205 0.190 1.00 42.24 H new ATOM 0 HD11 LEU A 20 5.675 0.607 -0.248 1.00 21.10 H new ATOM 0 HD12 LEU A 20 6.776 1.923 0.224 1.00 21.10 H new ATOM 0 HD13 LEU A 20 6.329 1.706 -1.485 1.00 21.10 H new ATOM 0 HD21 LEU A 20 6.346 -1.280 -1.355 1.00 64.23 H new ATOM 0 HD22 LEU A 20 7.034 -0.339 -2.700 1.00 64.23 H new ATOM 0 HD23 LEU A 20 8.025 -1.563 -1.871 1.00 64.23 H new ATOM 328 N ILE A 21 9.504 1.885 2.011 1.00 75.34 N ATOM 329 CA ILE A 21 9.244 2.774 3.093 1.00 11.30 C ATOM 330 C ILE A 21 10.446 3.728 3.409 1.00 64.23 C ATOM 331 O ILE A 21 10.242 4.933 3.551 1.00 31.11 O ATOM 332 CB ILE A 21 8.743 1.800 4.163 1.00 12.13 C ATOM 333 CG1 ILE A 21 7.302 1.300 3.807 1.00 44.33 C ATOM 334 CG2 ILE A 21 8.728 2.411 5.542 1.00 51.25 C ATOM 335 CD1 ILE A 21 6.756 0.195 4.705 1.00 31.23 C ATOM 0 H ILE A 21 9.329 0.905 2.231 1.00 75.34 H new ATOM 0 HA ILE A 21 8.500 3.553 2.925 1.00 11.30 H new ATOM 0 HB ILE A 21 9.442 0.963 4.177 1.00 12.13 H new ATOM 0 HG12 ILE A 21 6.620 2.149 3.848 1.00 44.33 H new ATOM 0 HG13 ILE A 21 7.303 0.942 2.778 1.00 44.33 H new ATOM 0 HG21 ILE A 21 8.364 1.677 6.261 1.00 51.25 H new ATOM 0 HG22 ILE A 21 9.738 2.717 5.815 1.00 51.25 H new ATOM 0 HG23 ILE A 21 8.071 3.281 5.547 1.00 51.25 H new ATOM 0 HD11 ILE A 21 5.754 -0.080 4.375 1.00 31.23 H new ATOM 0 HD12 ILE A 21 7.409 -0.676 4.648 1.00 31.23 H new ATOM 0 HD13 ILE A 21 6.715 0.550 5.735 1.00 31.23 H new ATOM 347 N GLU A 22 11.676 3.247 3.482 1.00 35.25 N ATOM 348 CA GLU A 22 13.016 3.806 3.754 1.00 71.01 C ATOM 349 C GLU A 22 14.057 4.658 2.831 1.00 32.01 C ATOM 350 O GLU A 22 15.247 4.518 3.182 1.00 74.41 O ATOM 351 CB GLU A 22 13.593 2.329 3.795 1.00 0.32 C ATOM 352 CG GLU A 22 14.580 1.851 4.867 1.00 52.23 C ATOM 353 CD GLU A 22 13.955 1.752 6.262 1.00 62.21 C ATOM 354 OE1 GLU A 22 14.635 1.196 7.162 1.00 14.15 O ATOM 355 OE2 GLU A 22 12.771 2.101 6.460 1.00 23.52 O ATOM 0 H GLU A 22 11.786 2.246 3.318 1.00 35.25 H new ATOM 0 HA GLU A 22 12.920 4.605 4.489 1.00 71.01 H new ATOM 0 HB2 GLU A 22 12.733 1.661 3.846 1.00 0.32 H new ATOM 0 HB3 GLU A 22 14.074 2.157 2.832 1.00 0.32 H new ATOM 0 HG2 GLU A 22 14.972 0.875 4.581 1.00 52.23 H new ATOM 0 HG3 GLU A 22 15.427 2.536 4.903 1.00 52.23 H new ATOM 362 N ASN A 23 13.637 4.327 1.632 1.00 51.22 N ATOM 363 CA ASN A 23 13.993 4.450 0.206 1.00 40.33 C ATOM 364 C ASN A 23 13.422 5.603 -0.521 1.00 2.03 C ATOM 365 O ASN A 23 14.007 6.127 -1.463 1.00 13.33 O ATOM 366 CB ASN A 23 13.468 3.151 -0.423 1.00 41.02 C ATOM 367 CG ASN A 23 14.411 1.954 -0.529 1.00 62.21 C ATOM 368 OD1 ASN A 23 14.572 1.286 -1.541 1.00 13.45 O ATOM 369 ND2 ASN A 23 15.033 1.670 0.583 1.00 2.24 N ATOM 0 H ASN A 23 12.764 3.800 1.638 1.00 51.22 H new ATOM 0 HA ASN A 23 15.068 4.615 0.134 1.00 40.33 H new ATOM 0 HB2 ASN A 23 12.596 2.835 0.150 1.00 41.02 H new ATOM 0 HB3 ASN A 23 13.120 3.388 -1.428 1.00 41.02 H new ATOM 0 HD21 ASN A 23 15.671 0.875 0.622 1.00 2.24 H new ATOM 0 HD22 ASN A 23 14.881 2.243 1.413 1.00 2.24 H new ATOM 376 N PHE A 24 12.253 5.915 -0.051 1.00 61.11 N ATOM 377 CA PHE A 24 11.452 6.999 -0.433 1.00 34.41 C ATOM 378 C PHE A 24 11.070 7.363 1.014 1.00 72.55 C ATOM 379 O PHE A 24 9.905 7.256 1.402 1.00 25.41 O ATOM 380 CB PHE A 24 10.399 6.592 -1.486 1.00 65.34 C ATOM 381 CG PHE A 24 10.768 7.004 -2.920 1.00 62.01 C ATOM 382 CD1 PHE A 24 10.939 8.372 -3.234 1.00 42.32 C ATOM 383 CD2 PHE A 24 10.901 6.052 -3.956 1.00 33.41 C ATOM 384 CE1 PHE A 24 11.153 8.796 -4.560 1.00 51.34 C ATOM 385 CE2 PHE A 24 11.159 6.473 -5.273 1.00 52.44 C ATOM 386 CZ PHE A 24 11.287 7.839 -5.578 1.00 52.34 C ATOM 0 H PHE A 24 11.810 5.354 0.677 1.00 61.11 H new ATOM 0 HA PHE A 24 11.833 7.851 -0.997 1.00 34.41 H new ATOM 0 HB2 PHE A 24 10.263 5.511 -1.452 1.00 65.34 H new ATOM 0 HB3 PHE A 24 9.442 7.042 -1.223 1.00 65.34 H new ATOM 0 HD1 PHE A 24 10.905 9.106 -2.442 1.00 42.32 H new ATOM 0 HD2 PHE A 24 10.804 4.999 -3.736 1.00 33.41 H new ATOM 0 HE1 PHE A 24 11.214 9.849 -4.792 1.00 51.34 H new ATOM 0 HE2 PHE A 24 11.260 5.739 -6.058 1.00 52.44 H new ATOM 0 HZ PHE A 24 11.488 8.151 -6.592 1.00 52.34 H new ATOM 396 N PRO A 25 12.061 7.752 1.883 1.00 73.33 N ATOM 397 CA PRO A 25 11.843 8.172 3.271 1.00 10.01 C ATOM 398 C PRO A 25 11.120 9.549 3.208 1.00 21.11 C ATOM 399 O PRO A 25 11.333 10.400 4.058 1.00 32.45 O ATOM 400 CB PRO A 25 13.259 8.215 3.904 1.00 53.43 C ATOM 401 CG PRO A 25 14.112 8.699 2.756 1.00 2.50 C ATOM 402 CD PRO A 25 13.503 7.908 1.615 1.00 13.11 C ATOM 0 HA PRO A 25 11.218 7.516 3.877 1.00 10.01 H new ATOM 0 HB2 PRO A 25 13.303 8.893 4.757 1.00 53.43 H new ATOM 0 HB3 PRO A 25 13.575 7.234 4.260 1.00 53.43 H new ATOM 0 HG2 PRO A 25 14.033 9.775 2.604 1.00 2.50 H new ATOM 0 HG3 PRO A 25 15.169 8.474 2.900 1.00 2.50 H new ATOM 0 HD2 PRO A 25 13.660 8.424 0.668 1.00 13.11 H new ATOM 0 HD3 PRO A 25 13.982 6.933 1.530 1.00 13.11 H new ATOM 410 N ASN A 26 10.342 9.801 2.137 1.00 21.24 N ATOM 411 CA ASN A 26 9.576 10.994 1.824 1.00 12.44 C ATOM 412 C ASN A 26 8.153 10.883 2.385 1.00 14.11 C ATOM 413 O ASN A 26 7.541 11.920 2.602 1.00 52.21 O ATOM 414 CB ASN A 26 9.452 11.203 0.293 1.00 11.51 C ATOM 415 CG ASN A 26 10.741 11.491 -0.489 1.00 2.51 C ATOM 416 OD1 ASN A 26 10.772 12.221 -1.472 1.00 53.21 O ATOM 417 ND2 ASN A 26 11.869 10.945 -0.079 1.00 42.12 N ATOM 0 H ASN A 26 10.233 9.097 1.407 1.00 21.24 H new ATOM 0 HA ASN A 26 10.107 11.833 2.273 1.00 12.44 H new ATOM 0 HB2 ASN A 26 8.993 10.311 -0.132 1.00 11.51 H new ATOM 0 HB3 ASN A 26 8.762 12.029 0.121 1.00 11.51 H new ATOM 0 HD21 ASN A 26 12.738 11.135 -0.578 1.00 42.12 H new ATOM 0 HD22 ASN A 26 11.872 10.333 0.737 1.00 42.12 H new ATOM 424 N ALA A 27 7.632 9.670 2.673 1.00 44.40 N ATOM 425 CA ALA A 27 6.302 9.384 3.245 1.00 3.43 C ATOM 426 C ALA A 27 5.968 7.890 3.144 1.00 54.22 C ATOM 427 O ALA A 27 5.761 7.440 2.021 1.00 21.33 O ATOM 428 CB ALA A 27 5.281 10.066 2.322 1.00 43.22 C ATOM 0 H ALA A 27 8.162 8.815 2.501 1.00 44.40 H new ATOM 0 HA ALA A 27 6.283 9.715 4.283 1.00 3.43 H new ATOM 0 HB1 ALA A 27 4.274 9.887 2.698 1.00 43.22 H new ATOM 0 HB2 ALA A 27 5.473 11.139 2.296 1.00 43.22 H new ATOM 0 HB3 ALA A 27 5.370 9.657 1.316 1.00 43.22 H new ATOM 434 N PHE A 28 5.755 7.132 4.227 1.00 34.31 N ATOM 435 CA PHE A 28 5.395 5.703 4.134 1.00 24.33 C ATOM 436 C PHE A 28 5.159 5.083 5.527 1.00 75.20 C ATOM 437 O PHE A 28 5.560 5.682 6.529 1.00 75.02 O ATOM 438 CB PHE A 28 6.428 4.901 3.313 1.00 72.13 C ATOM 439 CG PHE A 28 5.887 4.345 1.991 1.00 24.04 C ATOM 440 CD1 PHE A 28 4.746 3.520 1.965 1.00 75.33 C ATOM 441 CD2 PHE A 28 6.454 4.752 0.768 1.00 13.22 C ATOM 442 CE1 PHE A 28 4.091 3.238 0.751 1.00 3.25 C ATOM 443 CE2 PHE A 28 5.775 4.509 -0.445 1.00 53.35 C ATOM 444 CZ PHE A 28 4.574 3.773 -0.453 1.00 55.43 C ATOM 0 H PHE A 28 5.825 7.482 5.183 1.00 34.31 H new ATOM 0 HA PHE A 28 4.450 5.645 3.594 1.00 24.33 H new ATOM 0 HB2 PHE A 28 7.284 5.542 3.101 1.00 72.13 H new ATOM 0 HB3 PHE A 28 6.793 4.073 3.920 1.00 72.13 H new ATOM 0 HD1 PHE A 28 4.370 3.099 2.886 1.00 75.33 H new ATOM 0 HD2 PHE A 28 7.411 5.252 0.758 1.00 13.22 H new ATOM 0 HE1 PHE A 28 3.214 2.608 0.746 1.00 3.25 H new ATOM 0 HE2 PHE A 28 6.178 4.889 -1.372 1.00 53.35 H new ATOM 0 HZ PHE A 28 4.031 3.622 -1.375 1.00 55.43 H new ATOM 454 N PHE A 29 4.583 3.868 5.618 1.00 75.02 N ATOM 455 CA PHE A 29 4.317 3.178 6.884 1.00 31.03 C ATOM 456 C PHE A 29 4.189 1.653 6.790 1.00 11.32 C ATOM 457 O PHE A 29 3.411 1.139 5.993 1.00 73.44 O ATOM 458 CB PHE A 29 2.984 3.655 7.463 1.00 40.25 C ATOM 459 CG PHE A 29 2.996 5.078 7.946 1.00 51.12 C ATOM 460 CD1 PHE A 29 2.514 6.120 7.138 1.00 3.11 C ATOM 461 CD2 PHE A 29 3.595 5.359 9.177 1.00 52.24 C ATOM 462 CE1 PHE A 29 2.616 7.448 7.581 1.00 11.14 C ATOM 463 CE2 PHE A 29 3.602 6.674 9.673 1.00 12.54 C ATOM 464 CZ PHE A 29 3.123 7.722 8.864 1.00 34.14 C ATOM 0 H PHE A 29 4.287 3.336 4.800 1.00 75.02 H new ATOM 0 HA PHE A 29 5.186 3.416 7.498 1.00 31.03 H new ATOM 0 HB2 PHE A 29 2.211 3.548 6.702 1.00 40.25 H new ATOM 0 HB3 PHE A 29 2.707 3.004 8.292 1.00 40.25 H new ATOM 0 HD1 PHE A 29 2.067 5.901 6.180 1.00 3.11 H new ATOM 0 HD2 PHE A 29 4.053 4.565 9.748 1.00 52.24 H new ATOM 0 HE1 PHE A 29 2.306 8.258 6.938 1.00 11.14 H new ATOM 0 HE2 PHE A 29 3.972 6.879 10.667 1.00 12.54 H new ATOM 0 HZ PHE A 29 3.145 8.738 9.229 1.00 34.14 H new ATOM 474 N LYS A 30 4.901 0.940 7.695 1.00 12.11 N ATOM 475 CA LYS A 30 5.042 -0.590 7.990 1.00 43.44 C ATOM 476 C LYS A 30 3.775 -1.097 8.654 1.00 3.14 C ATOM 477 O LYS A 30 3.049 -1.939 8.151 1.00 52.01 O ATOM 478 CB LYS A 30 6.448 -1.376 8.726 1.00 70.02 C ATOM 479 CG LYS A 30 7.091 -1.402 10.346 1.00 33.50 C ATOM 480 CD LYS A 30 8.232 -0.408 10.452 1.00 3.22 C ATOM 481 CE LYS A 30 9.452 -1.072 9.798 1.00 1.53 C ATOM 482 NZ LYS A 30 10.644 -0.903 10.642 1.00 72.12 N ATOM 0 H LYS A 30 5.489 1.455 8.350 1.00 12.11 H new ATOM 0 HA LYS A 30 5.244 -0.899 6.964 1.00 43.44 H new ATOM 0 HB2 LYS A 30 6.306 -2.430 8.489 1.00 70.02 H new ATOM 0 HB3 LYS A 30 7.285 -1.023 8.123 1.00 70.02 H new ATOM 0 HG2 LYS A 30 6.309 -1.153 11.063 1.00 33.50 H new ATOM 0 HG3 LYS A 30 7.443 -2.404 10.593 1.00 33.50 H new ATOM 0 HD2 LYS A 30 7.981 0.525 9.947 1.00 3.22 H new ATOM 0 HD3 LYS A 30 8.436 -0.162 11.494 1.00 3.22 H new ATOM 0 HE2 LYS A 30 9.256 -2.133 9.643 1.00 1.53 H new ATOM 0 HE3 LYS A 30 9.629 -0.634 8.816 1.00 1.53 H new ATOM 0 HZ1 LYS A 30 11.460 -1.358 10.185 1.00 72.12 H new ATOM 0 HZ2 LYS A 30 10.839 0.111 10.769 1.00 72.12 H new ATOM 0 HZ3 LYS A 30 10.477 -1.342 11.570 1.00 72.12 H new ATOM 496 N LYS A 31 3.608 -0.609 9.879 1.00 44.14 N ATOM 497 CA LYS A 31 2.556 -0.929 10.811 1.00 35.22 C ATOM 498 C LYS A 31 1.200 -0.422 10.338 1.00 30.12 C ATOM 499 O LYS A 31 1.043 0.791 10.170 1.00 51.24 O ATOM 500 CB LYS A 31 2.883 -0.268 12.157 1.00 20.10 C ATOM 501 CG LYS A 31 4.297 -0.388 12.757 1.00 31.12 C ATOM 502 CD LYS A 31 4.867 0.999 13.085 1.00 25.10 C ATOM 503 CE LYS A 31 6.128 0.860 13.931 1.00 12.02 C ATOM 504 NZ LYS A 31 6.522 2.112 14.620 1.00 65.14 N ATOM 0 H LYS A 31 4.261 0.073 10.266 1.00 44.14 H new ATOM 0 HA LYS A 31 2.498 -2.014 10.899 1.00 35.22 H new ATOM 0 HB2 LYS A 31 2.664 0.795 12.057 1.00 20.10 H new ATOM 0 HB3 LYS A 31 2.185 -0.669 12.892 1.00 20.10 H new ATOM 0 HG2 LYS A 31 4.263 -0.996 13.661 1.00 31.12 H new ATOM 0 HG3 LYS A 31 4.954 -0.899 12.053 1.00 31.12 H new ATOM 0 HD2 LYS A 31 5.095 1.534 12.163 1.00 25.10 H new ATOM 0 HD3 LYS A 31 4.123 1.589 13.621 1.00 25.10 H new ATOM 0 HE2 LYS A 31 5.972 0.079 14.675 1.00 12.02 H new ATOM 0 HE3 LYS A 31 6.949 0.532 13.293 1.00 12.02 H new ATOM 0 HZ1 LYS A 31 7.385 1.946 15.176 1.00 65.14 H new ATOM 0 HZ2 LYS A 31 6.702 2.855 13.915 1.00 65.14 H new ATOM 0 HZ3 LYS A 31 5.755 2.415 15.254 1.00 65.14 H new ATOM 518 N GLY A 32 0.187 -1.283 10.274 1.00 75.12 N ATOM 519 CA GLY A 32 -1.152 -0.884 9.851 1.00 33.25 C ATOM 520 C GLY A 32 -1.769 0.185 10.758 1.00 63.42 C ATOM 521 O GLY A 32 -2.489 1.040 10.267 1.00 15.51 O ATOM 0 H GLY A 32 0.271 -2.271 10.513 1.00 75.12 H new ATOM 0 HA2 GLY A 32 -1.107 -0.505 8.830 1.00 33.25 H new ATOM 0 HA3 GLY A 32 -1.800 -1.760 9.838 1.00 33.25 H new ATOM 525 N ASN A 33 -1.431 0.238 12.052 1.00 65.14 N ATOM 526 CA ASN A 33 -2.013 1.241 12.957 1.00 14.43 C ATOM 527 C ASN A 33 -1.767 2.704 12.584 1.00 43.32 C ATOM 528 O ASN A 33 -2.557 3.557 12.971 1.00 34.45 O ATOM 529 CB ASN A 33 -1.582 1.007 14.415 1.00 50.32 C ATOM 530 CG ASN A 33 -0.175 1.494 14.749 1.00 44.34 C ATOM 531 OD1 ASN A 33 0.101 2.004 15.823 1.00 71.14 O ATOM 532 ND2 ASN A 33 0.802 1.305 13.888 1.00 74.35 N ATOM 0 H ASN A 33 -0.764 -0.395 12.494 1.00 65.14 H new ATOM 0 HA ASN A 33 -3.086 1.084 12.843 1.00 14.43 H new ATOM 0 HB2 ASN A 33 -2.291 1.508 15.074 1.00 50.32 H new ATOM 0 HB3 ASN A 33 -1.644 -0.060 14.631 1.00 50.32 H new ATOM 0 HD21 ASN A 33 1.754 1.582 14.128 1.00 74.35 H new ATOM 0 HD22 ASN A 33 0.607 0.881 12.981 1.00 74.35 H new ATOM 539 N GLN A 34 -0.679 3.006 11.881 1.00 21.13 N ATOM 540 CA GLN A 34 -0.308 4.349 11.460 1.00 21.34 C ATOM 541 C GLN A 34 -0.315 4.496 9.943 1.00 43.34 C ATOM 542 O GLN A 34 0.035 5.572 9.460 1.00 71.30 O ATOM 543 CB GLN A 34 1.019 4.749 12.115 1.00 45.41 C ATOM 544 CG GLN A 34 2.144 3.754 11.836 1.00 61.52 C ATOM 545 CD GLN A 34 3.341 3.975 12.748 1.00 22.22 C ATOM 546 OE1 GLN A 34 3.229 3.826 13.960 1.00 33.11 O ATOM 547 NE2 GLN A 34 4.520 4.202 12.198 1.00 53.13 N ATOM 0 H GLN A 34 -0.010 2.297 11.580 1.00 21.13 H new ATOM 0 HA GLN A 34 -1.064 5.054 11.808 1.00 21.34 H new ATOM 0 HB2 GLN A 34 1.314 5.734 11.754 1.00 45.41 H new ATOM 0 HB3 GLN A 34 0.875 4.835 13.192 1.00 45.41 H new ATOM 0 HG2 GLN A 34 1.771 2.739 11.968 1.00 61.52 H new ATOM 0 HG3 GLN A 34 2.459 3.845 10.796 1.00 61.52 H new ATOM 0 HE21 GLN A 34 4.597 4.324 11.188 1.00 53.13 H new ATOM 0 HE22 GLN A 34 5.354 4.255 12.783 1.00 53.13 H new ATOM 556 N VAL A 35 -0.683 3.453 9.190 1.00 62.31 N ATOM 557 CA VAL A 35 -0.718 3.525 7.733 1.00 31.42 C ATOM 558 C VAL A 35 -1.617 4.699 7.327 1.00 25.41 C ATOM 559 O VAL A 35 -2.621 4.971 7.998 1.00 12.04 O ATOM 560 CB VAL A 35 -1.073 2.134 7.145 1.00 2.53 C ATOM 561 CG1 VAL A 35 -2.570 1.790 7.128 1.00 35.53 C ATOM 562 CG2 VAL A 35 -0.475 1.897 5.751 1.00 40.15 C ATOM 0 H VAL A 35 -0.961 2.549 9.571 1.00 62.31 H new ATOM 0 HA VAL A 35 0.256 3.747 7.296 1.00 31.42 H new ATOM 0 HB VAL A 35 -0.605 1.452 7.855 1.00 2.53 H new ATOM 0 HG11 VAL A 35 -2.711 0.798 6.698 1.00 35.53 H new ATOM 0 HG12 VAL A 35 -2.958 1.803 8.147 1.00 35.53 H new ATOM 0 HG13 VAL A 35 -3.105 2.525 6.527 1.00 35.53 H new ATOM 0 HG21 VAL A 35 -0.760 0.907 5.396 1.00 40.15 H new ATOM 0 HG22 VAL A 35 -0.851 2.652 5.061 1.00 40.15 H new ATOM 0 HG23 VAL A 35 0.612 1.964 5.805 1.00 40.15 H new ATOM 572 N LYS A 36 -1.191 5.468 6.322 1.00 32.22 N ATOM 573 CA LYS A 36 -1.911 6.618 5.780 1.00 31.54 C ATOM 574 C LYS A 36 -2.055 6.346 4.287 1.00 32.13 C ATOM 575 O LYS A 36 -1.224 5.616 3.735 1.00 23.31 O ATOM 576 CB LYS A 36 -1.179 7.972 6.016 1.00 30.22 C ATOM 577 CG LYS A 36 -1.850 8.860 7.091 1.00 42.12 C ATOM 578 CD LYS A 36 -1.894 10.389 6.827 1.00 32.11 C ATOM 579 CE LYS A 36 -0.899 11.210 7.672 1.00 75.34 C ATOM 580 NZ LYS A 36 -1.192 12.674 7.719 1.00 34.23 N ATOM 0 H LYS A 36 -0.304 5.299 5.848 1.00 32.22 H new ATOM 0 HA LYS A 36 -2.871 6.724 6.285 1.00 31.54 H new ATOM 0 HB2 LYS A 36 -0.149 7.772 6.313 1.00 30.22 H new ATOM 0 HB3 LYS A 36 -1.138 8.522 5.076 1.00 30.22 H new ATOM 0 HG2 LYS A 36 -2.874 8.511 7.225 1.00 42.12 H new ATOM 0 HG3 LYS A 36 -1.331 8.696 8.036 1.00 42.12 H new ATOM 0 HD2 LYS A 36 -1.691 10.569 5.771 1.00 32.11 H new ATOM 0 HD3 LYS A 36 -2.903 10.750 7.023 1.00 32.11 H new ATOM 0 HE2 LYS A 36 -0.896 10.819 8.690 1.00 75.34 H new ATOM 0 HE3 LYS A 36 0.105 11.065 7.272 1.00 75.34 H new ATOM 0 HZ1 LYS A 36 -0.479 13.152 8.306 1.00 34.23 H new ATOM 0 HZ2 LYS A 36 -1.166 13.064 6.755 1.00 34.23 H new ATOM 0 HZ3 LYS A 36 -2.136 12.826 8.129 1.00 34.23 H new ATOM 594 N PRO A 37 -3.055 6.918 3.613 1.00 4.15 N ATOM 595 CA PRO A 37 -3.214 6.720 2.188 1.00 2.13 C ATOM 596 C PRO A 37 -2.043 7.405 1.469 1.00 40.02 C ATOM 597 O PRO A 37 -1.437 8.345 1.982 1.00 15.41 O ATOM 598 CB PRO A 37 -4.597 7.300 1.861 1.00 60.12 C ATOM 599 CG PRO A 37 -4.867 8.309 2.977 1.00 2.41 C ATOM 600 CD PRO A 37 -4.080 7.781 4.168 1.00 34.41 C ATOM 0 HA PRO A 37 -3.183 5.681 1.860 1.00 2.13 H new ATOM 0 HB2 PRO A 37 -4.604 7.780 0.883 1.00 60.12 H new ATOM 0 HB3 PRO A 37 -5.358 6.520 1.839 1.00 60.12 H new ATOM 0 HG2 PRO A 37 -4.538 9.309 2.696 1.00 2.41 H new ATOM 0 HG3 PRO A 37 -5.931 8.376 3.203 1.00 2.41 H new ATOM 0 HD2 PRO A 37 -3.637 8.598 4.737 1.00 34.41 H new ATOM 0 HD3 PRO A 37 -4.727 7.231 4.851 1.00 34.41 H new ATOM 608 N LEU A 38 -1.729 6.931 0.266 1.00 22.13 N ATOM 609 CA LEU A 38 -0.675 7.403 -0.617 1.00 75.15 C ATOM 610 C LEU A 38 -1.291 7.956 -1.901 1.00 45.33 C ATOM 611 O LEU A 38 -2.511 7.875 -2.104 1.00 14.12 O ATOM 612 CB LEU A 38 0.271 6.255 -0.996 1.00 32.24 C ATOM 613 CG LEU A 38 1.270 5.748 0.050 1.00 12.12 C ATOM 614 CD1 LEU A 38 2.006 6.871 0.788 1.00 2.33 C ATOM 615 CD2 LEU A 38 0.652 4.706 0.980 1.00 14.21 C ATOM 0 H LEU A 38 -2.244 6.151 -0.143 1.00 22.13 H new ATOM 0 HA LEU A 38 -0.116 8.179 -0.093 1.00 75.15 H new ATOM 0 HB2 LEU A 38 -0.343 5.409 -1.304 1.00 32.24 H new ATOM 0 HB3 LEU A 38 0.840 6.571 -1.871 1.00 32.24 H new ATOM 0 HG LEU A 38 2.052 5.230 -0.504 1.00 12.12 H new ATOM 0 HD11 LEU A 38 2.696 6.439 1.513 1.00 2.33 H new ATOM 0 HD12 LEU A 38 2.563 7.474 0.071 1.00 2.33 H new ATOM 0 HD13 LEU A 38 1.283 7.501 1.307 1.00 2.33 H new ATOM 0 HD21 LEU A 38 1.397 4.376 1.704 1.00 14.21 H new ATOM 0 HD22 LEU A 38 -0.195 5.145 1.506 1.00 14.21 H new ATOM 0 HD23 LEU A 38 0.312 3.852 0.395 1.00 14.21 H new ATOM 627 N LYS A 39 -0.461 8.630 -2.704 1.00 60.43 N ATOM 628 CA LYS A 39 -0.839 9.180 -3.999 1.00 1.21 C ATOM 629 C LYS A 39 -1.501 8.075 -4.812 1.00 62.34 C ATOM 630 O LYS A 39 -1.171 6.892 -4.681 1.00 51.12 O ATOM 631 CB LYS A 39 0.439 9.663 -4.708 1.00 23.45 C ATOM 632 CG LYS A 39 0.332 10.018 -6.209 1.00 1.43 C ATOM 633 CD LYS A 39 1.167 9.067 -7.080 1.00 74.13 C ATOM 634 CE LYS A 39 1.009 9.378 -8.575 1.00 24.02 C ATOM 635 NZ LYS A 39 1.686 10.631 -8.971 1.00 31.31 N ATOM 0 H LYS A 39 0.513 8.809 -2.461 1.00 60.43 H new ATOM 0 HA LYS A 39 -1.532 10.014 -3.888 1.00 1.21 H new ATOM 0 HB2 LYS A 39 0.805 10.543 -4.179 1.00 23.45 H new ATOM 0 HB3 LYS A 39 1.198 8.888 -4.599 1.00 23.45 H new ATOM 0 HG2 LYS A 39 -0.712 9.974 -6.520 1.00 1.43 H new ATOM 0 HG3 LYS A 39 0.668 11.043 -6.365 1.00 1.43 H new ATOM 0 HD2 LYS A 39 2.218 9.147 -6.801 1.00 74.13 H new ATOM 0 HD3 LYS A 39 0.864 8.038 -6.889 1.00 74.13 H new ATOM 0 HE2 LYS A 39 1.413 8.551 -9.159 1.00 24.02 H new ATOM 0 HE3 LYS A 39 -0.051 9.450 -8.817 1.00 24.02 H new ATOM 0 HZ1 LYS A 39 1.321 10.946 -9.893 1.00 31.31 H new ATOM 0 HZ2 LYS A 39 1.503 11.365 -8.257 1.00 31.31 H new ATOM 0 HZ3 LYS A 39 2.710 10.465 -9.042 1.00 31.31 H new ATOM 649 N ILE A 40 -2.476 8.457 -5.624 1.00 31.22 N ATOM 650 CA ILE A 40 -3.166 7.508 -6.465 1.00 15.32 C ATOM 651 C ILE A 40 -2.160 6.917 -7.451 1.00 34.13 C ATOM 652 O ILE A 40 -1.379 7.640 -8.058 1.00 14.44 O ATOM 653 CB ILE A 40 -4.347 8.190 -7.188 1.00 20.24 C ATOM 654 CG1 ILE A 40 -5.092 7.234 -8.135 1.00 71.22 C ATOM 655 CG2 ILE A 40 -3.924 9.433 -7.985 1.00 23.05 C ATOM 656 CD1 ILE A 40 -5.608 5.990 -7.414 1.00 63.21 C ATOM 0 H ILE A 40 -2.802 9.419 -5.714 1.00 31.22 H new ATOM 0 HA ILE A 40 -3.586 6.702 -5.864 1.00 15.32 H new ATOM 0 HB ILE A 40 -5.017 8.496 -6.385 1.00 20.24 H new ATOM 0 HG12 ILE A 40 -5.930 7.760 -8.593 1.00 71.22 H new ATOM 0 HG13 ILE A 40 -4.425 6.933 -8.943 1.00 71.22 H new ATOM 0 HG21 ILE A 40 -4.797 9.868 -8.471 1.00 23.05 H new ATOM 0 HG22 ILE A 40 -3.482 10.165 -7.309 1.00 23.05 H new ATOM 0 HG23 ILE A 40 -3.192 9.149 -8.741 1.00 23.05 H new ATOM 0 HD11 ILE A 40 -6.127 5.346 -8.125 1.00 63.21 H new ATOM 0 HD12 ILE A 40 -4.769 5.448 -6.978 1.00 63.21 H new ATOM 0 HD13 ILE A 40 -6.297 6.287 -6.624 1.00 63.21 H new ATOM 668 N GLY A 41 -2.169 5.600 -7.599 1.00 73.44 N ATOM 669 CA GLY A 41 -1.286 4.933 -8.536 1.00 33.22 C ATOM 670 C GLY A 41 0.194 4.934 -8.151 1.00 3.33 C ATOM 671 O GLY A 41 1.025 4.629 -9.000 1.00 12.50 O ATOM 0 H GLY A 41 -2.782 4.973 -7.078 1.00 73.44 H new ATOM 0 HA2 GLY A 41 -1.615 3.900 -8.648 1.00 33.22 H new ATOM 0 HA3 GLY A 41 -1.391 5.408 -9.511 1.00 33.22 H new ATOM 675 N ILE A 42 0.535 5.192 -6.886 1.00 1.22 N ATOM 676 CA ILE A 42 1.902 5.251 -6.372 1.00 4.40 C ATOM 677 C ILE A 42 2.770 4.033 -6.721 1.00 32.42 C ATOM 678 O ILE A 42 3.989 4.177 -6.775 1.00 42.10 O ATOM 679 CB ILE A 42 1.877 5.566 -4.856 1.00 72.51 C ATOM 680 CG1 ILE A 42 3.248 6.097 -4.407 1.00 75.32 C ATOM 681 CG2 ILE A 42 1.387 4.367 -4.016 1.00 72.23 C ATOM 682 CD1 ILE A 42 3.265 6.745 -3.021 1.00 44.20 C ATOM 0 H ILE A 42 -0.163 5.372 -6.164 1.00 1.22 H new ATOM 0 HA ILE A 42 2.403 6.068 -6.891 1.00 4.40 H new ATOM 0 HB ILE A 42 1.144 6.353 -4.679 1.00 72.51 H new ATOM 0 HG12 ILE A 42 3.961 5.273 -4.416 1.00 75.32 H new ATOM 0 HG13 ILE A 42 3.596 6.827 -5.138 1.00 75.32 H new ATOM 0 HG21 ILE A 42 1.388 4.638 -2.960 1.00 72.23 H new ATOM 0 HG22 ILE A 42 0.376 4.098 -4.321 1.00 72.23 H new ATOM 0 HG23 ILE A 42 2.051 3.517 -4.173 1.00 72.23 H new ATOM 0 HD11 ILE A 42 4.274 7.088 -2.792 1.00 44.20 H new ATOM 0 HD12 ILE A 42 2.581 7.594 -3.008 1.00 44.20 H new ATOM 0 HD13 ILE A 42 2.952 6.015 -2.274 1.00 44.20 H new ATOM 694 N PHE A 43 2.192 2.838 -6.926 1.00 12.05 N ATOM 695 CA PHE A 43 3.012 1.683 -7.280 1.00 25.40 C ATOM 696 C PHE A 43 3.679 1.939 -8.625 1.00 52.25 C ATOM 697 O PHE A 43 4.799 1.493 -8.810 1.00 22.11 O ATOM 698 CB PHE A 43 2.204 0.364 -7.353 1.00 1.33 C ATOM 699 CG PHE A 43 2.558 -0.557 -8.521 1.00 42.25 C ATOM 700 CD1 PHE A 43 1.763 -0.564 -9.680 1.00 32.53 C ATOM 701 CD2 PHE A 43 3.706 -1.367 -8.487 1.00 22.52 C ATOM 702 CE1 PHE A 43 2.122 -1.343 -10.787 1.00 42.04 C ATOM 703 CE2 PHE A 43 4.064 -2.161 -9.592 1.00 72.42 C ATOM 704 CZ PHE A 43 3.287 -2.124 -10.761 1.00 42.35 C ATOM 0 H PHE A 43 1.191 2.655 -6.854 1.00 12.05 H new ATOM 0 HA PHE A 43 3.753 1.560 -6.490 1.00 25.40 H new ATOM 0 HB2 PHE A 43 2.351 -0.184 -6.422 1.00 1.33 H new ATOM 0 HB3 PHE A 43 1.144 0.610 -7.414 1.00 1.33 H new ATOM 0 HD1 PHE A 43 0.867 0.037 -9.717 1.00 32.53 H new ATOM 0 HD2 PHE A 43 4.322 -1.380 -7.600 1.00 22.52 H new ATOM 0 HE1 PHE A 43 1.497 -1.342 -11.668 1.00 42.04 H new ATOM 0 HE2 PHE A 43 4.935 -2.798 -9.541 1.00 72.42 H new ATOM 0 HZ PHE A 43 3.583 -2.691 -11.631 1.00 42.35 H new ATOM 714 N ASP A 44 2.976 2.582 -9.558 1.00 42.45 N ATOM 715 CA ASP A 44 3.499 2.855 -10.901 1.00 34.23 C ATOM 716 C ASP A 44 4.579 3.923 -10.850 1.00 33.04 C ATOM 717 O ASP A 44 5.504 3.877 -11.640 1.00 63.21 O ATOM 718 CB ASP A 44 2.364 3.286 -11.850 1.00 53.24 C ATOM 719 CG ASP A 44 2.260 2.380 -13.067 1.00 20.33 C ATOM 720 OD1 ASP A 44 1.416 1.450 -13.037 1.00 64.44 O ATOM 721 OD2 ASP A 44 2.945 2.577 -14.088 1.00 30.32 O ATOM 0 H ASP A 44 2.029 2.929 -9.406 1.00 42.45 H new ATOM 0 HA ASP A 44 3.941 1.936 -11.286 1.00 34.23 H new ATOM 0 HB2 ASP A 44 1.417 3.277 -11.310 1.00 53.24 H new ATOM 0 HB3 ASP A 44 2.535 4.312 -12.176 1.00 53.24 H new ATOM 726 N ASP A 45 4.508 4.868 -9.913 1.00 54.55 N ATOM 727 CA ASP A 45 5.533 5.908 -9.813 1.00 35.32 C ATOM 728 C ASP A 45 6.831 5.288 -9.288 1.00 44.45 C ATOM 729 O ASP A 45 7.928 5.642 -9.717 1.00 40.14 O ATOM 730 CB ASP A 45 5.073 7.039 -8.878 1.00 71.51 C ATOM 731 CG ASP A 45 4.143 8.072 -9.518 1.00 42.32 C ATOM 732 OD1 ASP A 45 3.990 9.165 -8.932 1.00 54.43 O ATOM 733 OD2 ASP A 45 3.548 7.830 -10.591 1.00 70.13 O ATOM 0 H ASP A 45 3.762 4.936 -9.220 1.00 54.55 H new ATOM 0 HA ASP A 45 5.703 6.334 -10.802 1.00 35.32 H new ATOM 0 HB2 ASP A 45 4.565 6.597 -8.021 1.00 71.51 H new ATOM 0 HB3 ASP A 45 5.954 7.554 -8.495 1.00 71.51 H new ATOM 738 N LEU A 46 6.691 4.382 -8.322 1.00 3.23 N ATOM 739 CA LEU A 46 7.725 3.643 -7.621 1.00 43.51 C ATOM 740 C LEU A 46 8.314 2.479 -8.418 1.00 11.31 C ATOM 741 O LEU A 46 9.494 2.167 -8.260 1.00 32.41 O ATOM 742 CB LEU A 46 7.122 3.184 -6.307 1.00 40.52 C ATOM 743 CG LEU A 46 8.159 2.464 -5.428 1.00 0.11 C ATOM 744 CD1 LEU A 46 8.591 3.318 -4.231 1.00 32.44 C ATOM 745 CD2 LEU A 46 7.607 1.112 -5.023 1.00 14.43 C ATOM 0 H LEU A 46 5.763 4.128 -7.983 1.00 3.23 H new ATOM 0 HA LEU A 46 8.581 4.298 -7.458 1.00 43.51 H new ATOM 0 HB2 LEU A 46 6.723 4.044 -5.769 1.00 40.52 H new ATOM 0 HB3 LEU A 46 6.285 2.515 -6.505 1.00 40.52 H new ATOM 0 HG LEU A 46 9.071 2.303 -6.003 1.00 0.11 H new ATOM 0 HD11 LEU A 46 9.324 2.770 -3.638 1.00 32.44 H new ATOM 0 HD12 LEU A 46 9.035 4.247 -4.588 1.00 32.44 H new ATOM 0 HD13 LEU A 46 7.722 3.545 -3.614 1.00 32.44 H new ATOM 0 HD21 LEU A 46 8.335 0.594 -4.399 1.00 14.43 H new ATOM 0 HD22 LEU A 46 6.682 1.250 -4.463 1.00 14.43 H new ATOM 0 HD23 LEU A 46 7.406 0.519 -5.915 1.00 14.43 H new ATOM 757 N ILE A 47 7.530 1.839 -9.284 1.00 43.32 N ATOM 758 CA ILE A 47 7.994 0.711 -10.089 1.00 35.41 C ATOM 759 C ILE A 47 9.244 1.170 -10.881 1.00 50.43 C ATOM 760 O ILE A 47 10.183 0.398 -11.079 1.00 61.23 O ATOM 761 CB ILE A 47 6.858 0.259 -11.064 1.00 15.41 C ATOM 762 CG1 ILE A 47 6.864 -1.253 -11.309 1.00 1.00 C ATOM 763 CG2 ILE A 47 6.760 0.974 -12.429 1.00 42.11 C ATOM 764 CD1 ILE A 47 8.145 -1.763 -11.954 1.00 13.44 C ATOM 0 H ILE A 47 6.555 2.088 -9.447 1.00 43.32 H new ATOM 0 HA ILE A 47 8.252 -0.136 -9.454 1.00 35.41 H new ATOM 0 HB ILE A 47 5.974 0.570 -10.507 1.00 15.41 H new ATOM 0 HG12 ILE A 47 6.716 -1.767 -10.359 1.00 1.00 H new ATOM 0 HG13 ILE A 47 6.019 -1.512 -11.946 1.00 1.00 H new ATOM 0 HG21 ILE A 47 5.929 0.558 -12.999 1.00 42.11 H new ATOM 0 HG22 ILE A 47 6.595 2.040 -12.270 1.00 42.11 H new ATOM 0 HG23 ILE A 47 7.688 0.829 -12.983 1.00 42.11 H new ATOM 0 HD11 ILE A 47 8.076 -2.841 -12.097 1.00 13.44 H new ATOM 0 HD12 ILE A 47 8.284 -1.277 -12.920 1.00 13.44 H new ATOM 0 HD13 ILE A 47 8.993 -1.536 -11.308 1.00 13.44 H new ATOM 776 N ASP A 48 9.285 2.453 -11.273 1.00 42.13 N ATOM 777 CA ASP A 48 10.376 3.054 -12.042 1.00 60.43 C ATOM 778 C ASP A 48 11.693 2.924 -11.288 1.00 43.03 C ATOM 779 O ASP A 48 12.762 2.691 -11.850 1.00 53.41 O ATOM 780 CB ASP A 48 10.147 4.564 -12.216 1.00 32.12 C ATOM 781 CG ASP A 48 9.084 4.980 -13.224 1.00 62.33 C ATOM 782 OD1 ASP A 48 9.267 6.075 -13.807 1.00 22.42 O ATOM 783 OD2 ASP A 48 8.050 4.301 -13.364 1.00 62.43 O ATOM 0 H ASP A 48 8.539 3.114 -11.056 1.00 42.13 H new ATOM 0 HA ASP A 48 10.407 2.539 -13.002 1.00 60.43 H new ATOM 0 HB2 ASP A 48 9.879 4.982 -11.246 1.00 32.12 H new ATOM 0 HB3 ASP A 48 11.092 5.021 -12.510 1.00 32.12 H new ATOM 788 N PHE A 49 11.613 3.138 -9.979 1.00 41.10 N ATOM 789 CA PHE A 49 12.732 3.084 -9.074 1.00 53.40 C ATOM 790 C PHE A 49 13.180 1.646 -8.824 1.00 52.10 C ATOM 791 O PHE A 49 14.379 1.387 -8.714 1.00 75.13 O ATOM 792 CB PHE A 49 12.316 3.804 -7.793 1.00 44.31 C ATOM 793 CG PHE A 49 13.423 3.885 -6.775 1.00 52.34 C ATOM 794 CD1 PHE A 49 13.139 3.566 -5.434 1.00 52.42 C ATOM 795 CD2 PHE A 49 14.748 4.121 -7.192 1.00 32.54 C ATOM 796 CE1 PHE A 49 14.189 3.389 -4.528 1.00 72.45 C ATOM 797 CE2 PHE A 49 15.797 3.949 -6.288 1.00 30.33 C ATOM 798 CZ PHE A 49 15.505 3.571 -4.968 1.00 51.52 C ATOM 0 H PHE A 49 10.733 3.361 -9.513 1.00 41.10 H new ATOM 0 HA PHE A 49 13.601 3.582 -9.504 1.00 53.40 H new ATOM 0 HB2 PHE A 49 11.984 4.812 -8.041 1.00 44.31 H new ATOM 0 HB3 PHE A 49 11.463 3.287 -7.353 1.00 44.31 H new ATOM 0 HD1 PHE A 49 12.115 3.459 -5.107 1.00 52.42 H new ATOM 0 HD2 PHE A 49 14.951 4.433 -8.206 1.00 32.54 H new ATOM 0 HE1 PHE A 49 13.987 3.116 -3.503 1.00 72.45 H new ATOM 0 HE2 PHE A 49 16.819 4.105 -6.600 1.00 30.33 H new ATOM 0 HZ PHE A 49 16.318 3.417 -4.274 1.00 51.52 H new ATOM 808 N TYR A 50 12.237 0.708 -8.721 1.00 72.04 N ATOM 809 CA TYR A 50 12.529 -0.707 -8.525 1.00 31.52 C ATOM 810 C TYR A 50 13.413 -1.209 -9.682 1.00 53.52 C ATOM 811 O TYR A 50 14.298 -2.034 -9.472 1.00 63.22 O ATOM 812 CB TYR A 50 11.208 -1.473 -8.408 1.00 32.42 C ATOM 813 CG TYR A 50 11.343 -2.945 -8.711 1.00 32.21 C ATOM 814 CD1 TYR A 50 11.803 -3.835 -7.725 1.00 72.44 C ATOM 815 CD2 TYR A 50 11.110 -3.397 -10.022 1.00 42.01 C ATOM 816 CE1 TYR A 50 12.088 -5.166 -8.072 1.00 72.23 C ATOM 817 CE2 TYR A 50 11.326 -4.742 -10.353 1.00 10.51 C ATOM 818 CZ TYR A 50 11.857 -5.622 -9.390 1.00 44.41 C ATOM 819 OH TYR A 50 12.218 -6.882 -9.758 1.00 71.31 O ATOM 0 H TYR A 50 11.240 0.915 -8.772 1.00 72.04 H new ATOM 0 HA TYR A 50 13.086 -0.872 -7.603 1.00 31.52 H new ATOM 0 HB2 TYR A 50 10.814 -1.351 -7.399 1.00 32.42 H new ATOM 0 HB3 TYR A 50 10.480 -1.034 -9.090 1.00 32.42 H new ATOM 0 HD1 TYR A 50 11.936 -3.498 -6.708 1.00 72.44 H new ATOM 0 HD2 TYR A 50 10.764 -2.706 -10.776 1.00 42.01 H new ATOM 0 HE1 TYR A 50 12.485 -5.843 -7.330 1.00 72.23 H new ATOM 0 HE2 TYR A 50 11.086 -5.102 -11.343 1.00 10.51 H new ATOM 0 HH TYR A 50 11.879 -7.525 -9.101 1.00 71.31 H new ATOM 829 N GLU A 51 13.219 -0.678 -10.890 1.00 21.31 N ATOM 830 CA GLU A 51 14.011 -1.052 -12.061 1.00 42.53 C ATOM 831 C GLU A 51 15.439 -0.471 -12.012 1.00 14.23 C ATOM 832 O GLU A 51 16.344 -1.028 -12.638 1.00 24.25 O ATOM 833 CB GLU A 51 13.335 -0.506 -13.330 1.00 11.25 C ATOM 834 CG GLU A 51 12.079 -1.278 -13.751 1.00 61.24 C ATOM 835 CD GLU A 51 12.358 -2.289 -14.860 1.00 42.04 C ATOM 836 OE1 GLU A 51 12.334 -1.915 -16.058 1.00 12.44 O ATOM 837 OE2 GLU A 51 12.444 -3.501 -14.534 1.00 14.32 O ATOM 0 H GLU A 51 12.506 0.025 -11.084 1.00 21.31 H new ATOM 0 HA GLU A 51 14.072 -2.140 -12.069 1.00 42.53 H new ATOM 0 HB2 GLU A 51 13.069 0.538 -13.166 1.00 11.25 H new ATOM 0 HB3 GLU A 51 14.053 -0.527 -14.149 1.00 11.25 H new ATOM 0 HG2 GLU A 51 11.669 -1.798 -12.885 1.00 61.24 H new ATOM 0 HG3 GLU A 51 11.320 -0.573 -14.089 1.00 61.24 H new ATOM 844 N ARG A 52 15.676 0.606 -11.247 1.00 23.03 N ATOM 845 CA ARG A 52 16.982 1.277 -11.156 1.00 61.20 C ATOM 846 C ARG A 52 18.038 0.524 -10.359 1.00 61.21 C ATOM 847 O ARG A 52 19.238 0.735 -10.570 1.00 42.15 O ATOM 848 CB ARG A 52 16.775 2.659 -10.511 1.00 23.03 C ATOM 849 CG ARG A 52 17.975 3.602 -10.678 1.00 33.31 C ATOM 850 CD ARG A 52 18.113 4.113 -12.112 1.00 24.31 C ATOM 851 NE ARG A 52 19.140 5.163 -12.179 1.00 20.10 N ATOM 852 CZ ARG A 52 20.460 5.029 -12.337 1.00 34.13 C ATOM 853 NH1 ARG A 52 21.002 3.847 -12.613 1.00 21.23 N ATOM 854 NH2 ARG A 52 21.221 6.105 -12.170 1.00 74.30 N ATOM 0 H ARG A 52 14.958 1.040 -10.668 1.00 23.03 H new ATOM 0 HA ARG A 52 17.362 1.338 -12.176 1.00 61.20 H new ATOM 0 HB2 ARG A 52 15.893 3.126 -10.949 1.00 23.03 H new ATOM 0 HB3 ARG A 52 16.572 2.528 -9.448 1.00 23.03 H new ATOM 0 HG2 ARG A 52 17.866 4.449 -10.001 1.00 33.31 H new ATOM 0 HG3 ARG A 52 18.888 3.080 -10.391 1.00 33.31 H new ATOM 0 HD2 ARG A 52 18.380 3.290 -12.775 1.00 24.31 H new ATOM 0 HD3 ARG A 52 17.157 4.506 -12.460 1.00 24.31 H new ATOM 0 HE ARG A 52 18.800 6.121 -12.094 1.00 20.10 H new ATOM 0 HH11 ARG A 52 20.408 3.023 -12.708 1.00 21.23 H new ATOM 0 HH12 ARG A 52 22.012 3.764 -12.730 1.00 21.23 H new ATOM 0 HH21 ARG A 52 20.794 6.999 -11.928 1.00 74.30 H new ATOM 0 HH22 ARG A 52 22.232 6.037 -12.283 1.00 74.30 H new ATOM 868 N LEU A 53 17.626 -0.343 -9.449 1.00 35.12 N ATOM 869 CA LEU A 53 18.530 -1.102 -8.632 1.00 5.30 C ATOM 870 C LEU A 53 19.420 -2.028 -9.450 1.00 63.51 C ATOM 871 O LEU A 53 18.965 -2.793 -10.305 1.00 44.30 O ATOM 872 CB LEU A 53 17.697 -1.951 -7.664 1.00 25.21 C ATOM 873 CG LEU A 53 16.397 -1.341 -7.096 1.00 51.34 C ATOM 874 CD1 LEU A 53 15.614 -2.475 -6.445 1.00 35.22 C ATOM 875 CD2 LEU A 53 16.652 -0.184 -6.134 1.00 71.44 C ATOM 0 H LEU A 53 16.642 -0.535 -9.262 1.00 35.12 H new ATOM 0 HA LEU A 53 19.180 -0.402 -8.107 1.00 5.30 H new ATOM 0 HB2 LEU A 53 17.435 -2.878 -8.174 1.00 25.21 H new ATOM 0 HB3 LEU A 53 18.335 -2.219 -6.822 1.00 25.21 H new ATOM 0 HG LEU A 53 15.817 -0.895 -7.904 1.00 51.34 H new ATOM 0 HD11 LEU A 53 14.685 -2.084 -6.030 1.00 35.22 H new ATOM 0 HD12 LEU A 53 15.386 -3.235 -7.192 1.00 35.22 H new ATOM 0 HD13 LEU A 53 16.210 -2.918 -5.647 1.00 35.22 H new ATOM 0 HD21 LEU A 53 15.700 0.202 -5.769 1.00 71.44 H new ATOM 0 HD22 LEU A 53 17.248 -0.536 -5.292 1.00 71.44 H new ATOM 0 HD23 LEU A 53 17.190 0.609 -6.653 1.00 71.44 H new ATOM 887 N ASP A 54 20.713 -1.985 -9.137 1.00 41.04 N ATOM 888 CA ASP A 54 21.723 -2.849 -9.754 1.00 20.22 C ATOM 889 C ASP A 54 21.438 -4.296 -9.284 1.00 72.42 C ATOM 890 O ASP A 54 21.881 -5.245 -9.922 1.00 62.21 O ATOM 891 CB ASP A 54 23.126 -2.291 -9.482 1.00 42.44 C ATOM 892 CG ASP A 54 24.280 -3.247 -9.772 1.00 41.15 C ATOM 893 OD1 ASP A 54 24.612 -3.499 -10.956 1.00 34.25 O ATOM 894 OD2 ASP A 54 24.999 -3.581 -8.802 1.00 23.20 O ATOM 0 H ASP A 54 21.095 -1.344 -8.442 1.00 41.04 H new ATOM 0 HA ASP A 54 21.673 -2.871 -10.843 1.00 20.22 H new ATOM 0 HB2 ASP A 54 23.263 -1.391 -10.082 1.00 42.44 H new ATOM 0 HB3 ASP A 54 23.181 -1.989 -8.436 1.00 42.44 H new ATOM 899 N THR A 55 20.605 -4.481 -8.239 1.00 52.25 N ATOM 900 CA THR A 55 20.189 -5.798 -7.695 1.00 11.10 C ATOM 901 C THR A 55 18.690 -5.997 -7.273 1.00 71.32 C ATOM 902 O THR A 55 18.362 -6.093 -6.088 1.00 50.24 O ATOM 903 CB THR A 55 21.177 -6.269 -6.597 1.00 13.21 C ATOM 904 OG1 THR A 55 21.980 -5.224 -6.058 1.00 22.44 O ATOM 905 CG2 THR A 55 22.030 -7.489 -6.969 1.00 0.34 C ATOM 0 H THR A 55 20.189 -3.699 -7.734 1.00 52.25 H new ATOM 0 HA THR A 55 20.242 -6.450 -8.567 1.00 11.10 H new ATOM 0 HB THR A 55 20.508 -6.605 -5.804 1.00 13.21 H new ATOM 0 HG1 THR A 55 22.577 -5.590 -5.372 1.00 22.44 H new ATOM 0 HG21 THR A 55 22.688 -7.740 -6.137 1.00 0.34 H new ATOM 0 HG22 THR A 55 21.379 -8.336 -7.185 1.00 0.34 H new ATOM 0 HG23 THR A 55 22.630 -7.259 -7.849 1.00 0.34 H new ATOM 913 N PRO A 56 17.748 -6.199 -8.211 1.00 43.32 N ATOM 914 CA PRO A 56 16.338 -6.416 -7.897 1.00 72.44 C ATOM 915 C PRO A 56 15.982 -7.874 -7.474 1.00 11.35 C ATOM 916 O PRO A 56 16.301 -8.819 -8.199 1.00 43.00 O ATOM 917 CB PRO A 56 15.618 -6.071 -9.187 1.00 41.04 C ATOM 918 CG PRO A 56 16.599 -6.484 -10.267 1.00 63.04 C ATOM 919 CD PRO A 56 17.933 -6.108 -9.645 1.00 61.20 C ATOM 0 HA PRO A 56 16.054 -5.810 -7.037 1.00 72.44 H new ATOM 0 HB2 PRO A 56 14.675 -6.610 -9.276 1.00 41.04 H new ATOM 0 HB3 PRO A 56 15.384 -5.008 -9.243 1.00 41.04 H new ATOM 0 HG2 PRO A 56 16.538 -7.550 -10.487 1.00 63.04 H new ATOM 0 HG3 PRO A 56 16.422 -5.954 -11.203 1.00 63.04 H new ATOM 0 HD2 PRO A 56 18.722 -6.781 -9.980 1.00 61.20 H new ATOM 0 HD3 PRO A 56 18.229 -5.100 -9.937 1.00 61.20 H new ATOM 927 N PRO A 57 15.230 -8.061 -6.370 1.00 72.32 N ATOM 928 CA PRO A 57 14.791 -9.346 -5.843 1.00 14.55 C ATOM 929 C PRO A 57 13.434 -9.772 -6.449 1.00 14.22 C ATOM 930 O PRO A 57 13.368 -10.379 -7.513 1.00 44.01 O ATOM 931 CB PRO A 57 14.766 -9.107 -4.322 1.00 51.42 C ATOM 932 CG PRO A 57 14.314 -7.653 -4.185 1.00 20.04 C ATOM 933 CD PRO A 57 14.846 -7.003 -5.459 1.00 11.14 C ATOM 0 HA PRO A 57 15.441 -10.182 -6.100 1.00 14.55 H new ATOM 0 HB2 PRO A 57 14.077 -9.788 -3.822 1.00 51.42 H new ATOM 0 HB3 PRO A 57 15.749 -9.263 -3.877 1.00 51.42 H new ATOM 0 HG2 PRO A 57 13.229 -7.573 -4.115 1.00 20.04 H new ATOM 0 HG3 PRO A 57 14.727 -7.185 -3.291 1.00 20.04 H new ATOM 0 HD2 PRO A 57 14.084 -6.368 -5.911 1.00 11.14 H new ATOM 0 HD3 PRO A 57 15.700 -6.364 -5.234 1.00 11.14 H new ATOM 941 N PHE A 58 12.332 -9.459 -5.766 1.00 51.13 N ATOM 942 CA PHE A 58 10.960 -9.767 -6.129 1.00 23.13 C ATOM 943 C PHE A 58 10.455 -8.929 -7.305 1.00 5.32 C ATOM 944 O PHE A 58 10.596 -7.707 -7.309 1.00 34.45 O ATOM 945 CB PHE A 58 10.102 -9.513 -4.887 1.00 21.24 C ATOM 946 CG PHE A 58 9.559 -10.756 -4.223 1.00 52.34 C ATOM 947 CD1 PHE A 58 8.739 -11.631 -4.954 1.00 63.14 C ATOM 948 CD2 PHE A 58 9.786 -10.988 -2.855 1.00 61.21 C ATOM 949 CE1 PHE A 58 8.081 -12.680 -4.305 1.00 60.10 C ATOM 950 CE2 PHE A 58 9.151 -12.059 -2.207 1.00 75.00 C ATOM 951 CZ PHE A 58 8.283 -12.892 -2.937 1.00 25.05 C ATOM 0 H PHE A 58 12.385 -8.948 -4.885 1.00 51.13 H new ATOM 0 HA PHE A 58 10.899 -10.805 -6.457 1.00 23.13 H new ATOM 0 HB2 PHE A 58 10.697 -8.961 -4.159 1.00 21.24 H new ATOM 0 HB3 PHE A 58 9.265 -8.873 -5.166 1.00 21.24 H new ATOM 0 HD1 PHE A 58 8.617 -11.493 -6.018 1.00 63.14 H new ATOM 0 HD2 PHE A 58 10.450 -10.341 -2.302 1.00 61.21 H new ATOM 0 HE1 PHE A 58 7.417 -13.326 -4.860 1.00 60.10 H new ATOM 0 HE2 PHE A 58 9.327 -12.242 -1.157 1.00 75.00 H new ATOM 0 HZ PHE A 58 7.769 -13.700 -2.438 1.00 25.05 H new ATOM 961 N SER A 59 9.781 -9.593 -8.247 1.00 4.52 N ATOM 962 CA SER A 59 9.215 -9.036 -9.468 1.00 11.22 C ATOM 963 C SER A 59 8.198 -7.904 -9.256 1.00 64.32 C ATOM 964 O SER A 59 7.461 -7.855 -8.269 1.00 71.20 O ATOM 965 CB SER A 59 8.558 -10.194 -10.233 1.00 23.33 C ATOM 966 OG SER A 59 8.401 -9.909 -11.605 1.00 74.34 O ATOM 0 H SER A 59 9.608 -10.595 -8.168 1.00 4.52 H new ATOM 0 HA SER A 59 10.030 -8.571 -10.023 1.00 11.22 H new ATOM 0 HB2 SER A 59 9.164 -11.093 -10.118 1.00 23.33 H new ATOM 0 HB3 SER A 59 7.583 -10.409 -9.795 1.00 23.33 H new ATOM 0 HG SER A 59 7.981 -10.673 -12.052 1.00 74.34 H new ATOM 972 N LYS A 60 8.035 -7.051 -10.270 1.00 42.45 N ATOM 973 CA LYS A 60 7.104 -5.914 -10.279 1.00 12.40 C ATOM 974 C LYS A 60 5.661 -6.310 -9.951 1.00 35.44 C ATOM 975 O LYS A 60 4.937 -5.572 -9.280 1.00 2.15 O ATOM 976 CB LYS A 60 7.198 -5.213 -11.642 1.00 34.41 C ATOM 977 CG LYS A 60 6.731 -6.066 -12.841 1.00 11.50 C ATOM 978 CD LYS A 60 7.342 -5.696 -14.203 1.00 12.44 C ATOM 979 CE LYS A 60 7.314 -4.198 -14.558 1.00 54.41 C ATOM 980 NZ LYS A 60 7.524 -3.977 -16.009 1.00 15.21 N ATOM 0 H LYS A 60 8.564 -7.133 -11.138 1.00 42.45 H new ATOM 0 HA LYS A 60 7.398 -5.228 -9.484 1.00 12.40 H new ATOM 0 HB2 LYS A 60 6.601 -4.301 -11.608 1.00 34.41 H new ATOM 0 HB3 LYS A 60 8.232 -4.911 -11.809 1.00 34.41 H new ATOM 0 HG2 LYS A 60 6.962 -7.110 -12.632 1.00 11.50 H new ATOM 0 HG3 LYS A 60 5.646 -5.989 -12.917 1.00 11.50 H new ATOM 0 HD2 LYS A 60 8.377 -6.036 -14.222 1.00 12.44 H new ATOM 0 HD3 LYS A 60 6.812 -6.246 -14.981 1.00 12.44 H new ATOM 0 HE2 LYS A 60 6.357 -3.770 -14.259 1.00 54.41 H new ATOM 0 HE3 LYS A 60 8.087 -3.675 -13.994 1.00 54.41 H new ATOM 0 HZ1 LYS A 60 7.499 -2.957 -16.212 1.00 15.21 H new ATOM 0 HZ2 LYS A 60 8.448 -4.363 -16.289 1.00 15.21 H new ATOM 0 HZ3 LYS A 60 6.772 -4.455 -16.545 1.00 15.21 H new ATOM 994 N LYS A 61 5.234 -7.484 -10.426 1.00 33.04 N ATOM 995 CA LYS A 61 3.901 -8.032 -10.189 1.00 34.14 C ATOM 996 C LYS A 61 3.728 -8.243 -8.682 1.00 3.41 C ATOM 997 O LYS A 61 2.711 -7.850 -8.120 1.00 4.32 O ATOM 998 CB LYS A 61 3.748 -9.361 -10.962 1.00 24.24 C ATOM 999 CG LYS A 61 2.677 -9.328 -12.060 1.00 34.25 C ATOM 1000 CD LYS A 61 2.786 -10.566 -12.960 1.00 3.42 C ATOM 1001 CE LYS A 61 1.785 -10.498 -14.114 1.00 63.55 C ATOM 1002 NZ LYS A 61 0.400 -10.819 -13.709 1.00 24.33 N ATOM 0 H LYS A 61 5.821 -8.091 -10.998 1.00 33.04 H new ATOM 0 HA LYS A 61 3.130 -7.347 -10.543 1.00 34.14 H new ATOM 0 HB2 LYS A 61 4.707 -9.619 -11.412 1.00 24.24 H new ATOM 0 HB3 LYS A 61 3.504 -10.154 -10.255 1.00 24.24 H new ATOM 0 HG2 LYS A 61 1.686 -9.287 -11.608 1.00 34.25 H new ATOM 0 HG3 LYS A 61 2.791 -8.425 -12.660 1.00 34.25 H new ATOM 0 HD2 LYS A 61 3.798 -10.643 -13.357 1.00 3.42 H new ATOM 0 HD3 LYS A 61 2.606 -11.465 -12.371 1.00 3.42 H new ATOM 0 HE2 LYS A 61 1.807 -9.497 -14.546 1.00 63.55 H new ATOM 0 HE3 LYS A 61 2.096 -11.190 -14.897 1.00 63.55 H new ATOM 0 HZ1 LYS A 61 -0.227 -10.755 -14.536 1.00 24.33 H new ATOM 0 HZ2 LYS A 61 0.366 -11.784 -13.323 1.00 24.33 H new ATOM 0 HZ3 LYS A 61 0.085 -10.144 -12.983 1.00 24.33 H new ATOM 1016 N SER A 62 4.732 -8.829 -8.024 1.00 32.22 N ATOM 1017 CA SER A 62 4.678 -9.097 -6.593 1.00 61.24 C ATOM 1018 C SER A 62 4.711 -7.820 -5.759 1.00 12.52 C ATOM 1019 O SER A 62 3.919 -7.721 -4.828 1.00 64.04 O ATOM 1020 CB SER A 62 5.767 -10.080 -6.176 1.00 50.04 C ATOM 1021 OG SER A 62 7.068 -9.580 -6.387 1.00 14.05 O ATOM 0 H SER A 62 5.599 -9.128 -8.470 1.00 32.22 H new ATOM 0 HA SER A 62 3.715 -9.566 -6.391 1.00 61.24 H new ATOM 0 HB2 SER A 62 5.644 -10.324 -5.121 1.00 50.04 H new ATOM 0 HB3 SER A 62 5.645 -11.008 -6.735 1.00 50.04 H new ATOM 0 HG SER A 62 7.102 -9.109 -7.246 1.00 14.05 H new ATOM 1027 N LEU A 63 5.538 -6.826 -6.136 1.00 23.43 N ATOM 1028 CA LEU A 63 5.677 -5.533 -5.454 1.00 14.54 C ATOM 1029 C LEU A 63 4.265 -4.954 -5.339 1.00 22.10 C ATOM 1030 O LEU A 63 3.834 -4.592 -4.251 1.00 52.15 O ATOM 1031 CB LEU A 63 6.673 -4.648 -6.240 1.00 51.20 C ATOM 1032 CG LEU A 63 7.060 -3.406 -5.406 1.00 41.14 C ATOM 1033 CD1 LEU A 63 8.564 -3.311 -5.167 1.00 51.14 C ATOM 1034 CD2 LEU A 63 6.580 -2.073 -5.980 1.00 34.41 C ATOM 0 H LEU A 63 6.146 -6.908 -6.951 1.00 23.43 H new ATOM 0 HA LEU A 63 6.095 -5.611 -4.450 1.00 14.54 H new ATOM 0 HB2 LEU A 63 7.566 -5.223 -6.485 1.00 51.20 H new ATOM 0 HB3 LEU A 63 6.226 -4.336 -7.184 1.00 51.20 H new ATOM 0 HG LEU A 63 6.537 -3.568 -4.464 1.00 41.14 H new ATOM 0 HD11 LEU A 63 8.783 -2.421 -4.577 1.00 51.14 H new ATOM 0 HD12 LEU A 63 8.904 -4.196 -4.629 1.00 51.14 H new ATOM 0 HD13 LEU A 63 9.081 -3.247 -6.124 1.00 51.14 H new ATOM 0 HD21 LEU A 63 6.898 -1.260 -5.327 1.00 34.41 H new ATOM 0 HD22 LEU A 63 7.007 -1.930 -6.973 1.00 34.41 H new ATOM 0 HD23 LEU A 63 5.492 -2.077 -6.050 1.00 34.41 H new ATOM 1046 N ARG A 64 3.500 -4.978 -6.435 1.00 51.30 N ATOM 1047 CA ARG A 64 2.129 -4.492 -6.480 1.00 34.53 C ATOM 1048 C ARG A 64 1.156 -5.358 -5.683 1.00 0.43 C ATOM 1049 O ARG A 64 0.397 -4.814 -4.886 1.00 4.45 O ATOM 1050 CB ARG A 64 1.685 -4.508 -7.946 1.00 31.41 C ATOM 1051 CG ARG A 64 0.221 -4.084 -8.183 1.00 44.22 C ATOM 1052 CD ARG A 64 -0.022 -2.687 -7.589 1.00 61.32 C ATOM 1053 NE ARG A 64 -1.008 -1.901 -8.345 1.00 52.11 N ATOM 1054 CZ ARG A 64 -1.707 -0.850 -7.893 1.00 23.13 C ATOM 1055 NH1 ARG A 64 -1.718 -0.542 -6.598 1.00 31.52 N ATOM 1056 NH2 ARG A 64 -2.380 -0.094 -8.753 1.00 34.10 N ATOM 0 H ARG A 64 3.828 -5.344 -7.329 1.00 51.30 H new ATOM 0 HA ARG A 64 2.113 -3.496 -6.038 1.00 34.53 H new ATOM 0 HB2 ARG A 64 2.337 -3.846 -8.516 1.00 31.41 H new ATOM 0 HB3 ARG A 64 1.826 -5.513 -8.343 1.00 31.41 H new ATOM 0 HG2 ARG A 64 0.004 -4.077 -9.251 1.00 44.22 H new ATOM 0 HG3 ARG A 64 -0.455 -4.806 -7.725 1.00 44.22 H new ATOM 0 HD2 ARG A 64 -0.363 -2.791 -6.559 1.00 61.32 H new ATOM 0 HD3 ARG A 64 0.922 -2.142 -7.559 1.00 61.32 H new ATOM 0 HE ARG A 64 -1.177 -2.184 -9.310 1.00 52.11 H new ATOM 0 HH11 ARG A 64 -1.190 -1.109 -5.934 1.00 31.52 H new ATOM 0 HH12 ARG A 64 -2.255 0.261 -6.269 1.00 31.52 H new ATOM 0 HH21 ARG A 64 -2.362 -0.315 -9.749 1.00 34.10 H new ATOM 0 HH22 ARG A 64 -2.914 0.708 -8.418 1.00 34.10 H new ATOM 1070 N GLU A 65 1.134 -6.671 -5.911 1.00 44.30 N ATOM 1071 CA GLU A 65 0.238 -7.622 -5.251 1.00 34.54 C ATOM 1072 C GLU A 65 0.360 -7.578 -3.732 1.00 23.42 C ATOM 1073 O GLU A 65 -0.620 -7.724 -3.007 1.00 5.25 O ATOM 1074 CB GLU A 65 0.554 -9.019 -5.787 1.00 34.21 C ATOM 1075 CG GLU A 65 -0.552 -10.043 -5.514 1.00 30.24 C ATOM 1076 CD GLU A 65 -0.537 -11.058 -6.653 1.00 73.41 C ATOM 1077 OE1 GLU A 65 0.260 -12.022 -6.573 1.00 61.14 O ATOM 1078 OE2 GLU A 65 -1.184 -10.762 -7.684 1.00 73.32 O ATOM 0 H GLU A 65 1.760 -7.117 -6.582 1.00 44.30 H new ATOM 0 HA GLU A 65 -0.794 -7.352 -5.475 1.00 34.54 H new ATOM 0 HB2 GLU A 65 0.724 -8.957 -6.862 1.00 34.21 H new ATOM 0 HB3 GLU A 65 1.483 -9.371 -5.337 1.00 34.21 H new ATOM 0 HG2 GLU A 65 -0.386 -10.539 -4.558 1.00 30.24 H new ATOM 0 HG3 GLU A 65 -1.523 -9.551 -5.454 1.00 30.24 H new ATOM 1085 N ALA A 66 1.580 -7.385 -3.252 1.00 61.22 N ATOM 1086 CA ALA A 66 1.894 -7.288 -1.848 1.00 11.11 C ATOM 1087 C ALA A 66 1.398 -5.949 -1.314 1.00 22.02 C ATOM 1088 O ALA A 66 0.635 -5.928 -0.348 1.00 31.41 O ATOM 1089 CB ALA A 66 3.396 -7.358 -1.729 1.00 35.31 C ATOM 0 H ALA A 66 2.398 -7.290 -3.853 1.00 61.22 H new ATOM 0 HA ALA A 66 1.421 -8.088 -1.278 1.00 11.11 H new ATOM 0 HB1 ALA A 66 3.681 -7.288 -0.679 1.00 35.31 H new ATOM 0 HB2 ALA A 66 3.750 -8.304 -2.139 1.00 35.31 H new ATOM 0 HB3 ALA A 66 3.844 -6.533 -2.282 1.00 35.31 H new ATOM 1095 N LEU A 67 1.773 -4.847 -1.986 1.00 24.11 N ATOM 1096 CA LEU A 67 1.365 -3.496 -1.615 1.00 50.35 C ATOM 1097 C LEU A 67 -0.168 -3.453 -1.554 1.00 13.24 C ATOM 1098 O LEU A 67 -0.702 -2.845 -0.635 1.00 65.13 O ATOM 1099 CB LEU A 67 1.886 -2.469 -2.624 1.00 63.34 C ATOM 1100 CG LEU A 67 2.241 -1.116 -1.977 1.00 21.34 C ATOM 1101 CD1 LEU A 67 3.051 -0.286 -2.969 1.00 73.33 C ATOM 1102 CD2 LEU A 67 1.017 -0.298 -1.563 1.00 74.21 C ATOM 0 H LEU A 67 2.374 -4.878 -2.809 1.00 24.11 H new ATOM 0 HA LEU A 67 1.787 -3.243 -0.642 1.00 50.35 H new ATOM 0 HB2 LEU A 67 2.769 -2.871 -3.120 1.00 63.34 H new ATOM 0 HB3 LEU A 67 1.132 -2.310 -3.395 1.00 63.34 H new ATOM 0 HG LEU A 67 2.806 -1.343 -1.073 1.00 21.34 H new ATOM 0 HD11 LEU A 67 3.306 0.673 -2.518 1.00 73.33 H new ATOM 0 HD12 LEU A 67 3.965 -0.819 -3.228 1.00 73.33 H new ATOM 0 HD13 LEU A 67 2.461 -0.118 -3.870 1.00 73.33 H new ATOM 0 HD21 LEU A 67 1.342 0.641 -1.115 1.00 74.21 H new ATOM 0 HD22 LEU A 67 0.405 -0.089 -2.441 1.00 74.21 H new ATOM 0 HD23 LEU A 67 0.431 -0.862 -0.838 1.00 74.21 H new ATOM 1114 N SER A 68 -0.854 -4.190 -2.443 1.00 62.35 N ATOM 1115 CA SER A 68 -2.304 -4.314 -2.564 1.00 1.44 C ATOM 1116 C SER A 68 -2.878 -4.702 -1.216 1.00 14.40 C ATOM 1117 O SER A 68 -3.852 -4.091 -0.785 1.00 62.24 O ATOM 1118 CB SER A 68 -2.659 -5.415 -3.582 1.00 24.22 C ATOM 1119 OG SER A 68 -3.995 -5.343 -4.050 1.00 21.04 O ATOM 0 H SER A 68 -0.369 -4.752 -3.143 1.00 62.35 H new ATOM 0 HA SER A 68 -2.717 -3.362 -2.899 1.00 1.44 H new ATOM 0 HB2 SER A 68 -1.980 -5.345 -4.432 1.00 24.22 H new ATOM 0 HB3 SER A 68 -2.495 -6.390 -3.123 1.00 24.22 H new ATOM 0 HG SER A 68 -4.156 -6.066 -4.692 1.00 21.04 H new ATOM 1125 N TYR A 69 -2.291 -5.714 -0.570 1.00 12.12 N ATOM 1126 CA TYR A 69 -2.747 -6.172 0.720 1.00 2.22 C ATOM 1127 C TYR A 69 -2.620 -5.047 1.750 1.00 14.33 C ATOM 1128 O TYR A 69 -3.577 -4.834 2.485 1.00 61.54 O ATOM 1129 CB TYR A 69 -2.026 -7.446 1.141 1.00 45.20 C ATOM 1130 CG TYR A 69 -2.813 -8.732 0.943 1.00 74.33 C ATOM 1131 CD1 TYR A 69 -3.066 -9.520 2.074 1.00 73.44 C ATOM 1132 CD2 TYR A 69 -3.310 -9.147 -0.313 1.00 33.23 C ATOM 1133 CE1 TYR A 69 -3.780 -10.721 1.970 1.00 31.12 C ATOM 1134 CE2 TYR A 69 -4.066 -10.338 -0.419 1.00 3.32 C ATOM 1135 CZ TYR A 69 -4.278 -11.145 0.725 1.00 41.14 C ATOM 1136 OH TYR A 69 -4.912 -12.352 0.695 1.00 61.23 O ATOM 0 H TYR A 69 -1.490 -6.229 -0.936 1.00 12.12 H new ATOM 0 HA TYR A 69 -3.803 -6.434 0.653 1.00 2.22 H new ATOM 0 HB2 TYR A 69 -1.094 -7.519 0.580 1.00 45.20 H new ATOM 0 HB3 TYR A 69 -1.758 -7.362 2.194 1.00 45.20 H new ATOM 0 HD1 TYR A 69 -2.705 -9.197 3.039 1.00 73.44 H new ATOM 0 HD2 TYR A 69 -3.112 -8.554 -1.194 1.00 33.23 H new ATOM 0 HE1 TYR A 69 -3.949 -11.324 2.850 1.00 31.12 H new ATOM 0 HE2 TYR A 69 -4.481 -10.632 -1.372 1.00 3.32 H new ATOM 0 HH TYR A 69 -5.215 -12.540 -0.218 1.00 61.23 H new ATOM 1146 N TYR A 70 -1.494 -4.321 1.826 1.00 41.42 N ATOM 1147 CA TYR A 70 -1.367 -3.219 2.792 1.00 61.32 C ATOM 1148 C TYR A 70 -2.389 -2.156 2.476 1.00 72.32 C ATOM 1149 O TYR A 70 -3.045 -1.639 3.381 1.00 3.23 O ATOM 1150 CB TYR A 70 0.019 -2.564 2.783 1.00 52.24 C ATOM 1151 CG TYR A 70 0.974 -3.143 3.794 1.00 40.10 C ATOM 1152 CD1 TYR A 70 0.823 -4.469 4.235 1.00 2.45 C ATOM 1153 CD2 TYR A 70 1.999 -2.339 4.325 1.00 44.35 C ATOM 1154 CE1 TYR A 70 1.658 -4.959 5.238 1.00 21.23 C ATOM 1155 CE2 TYR A 70 2.918 -2.876 5.241 1.00 13.54 C ATOM 1156 CZ TYR A 70 2.728 -4.187 5.726 1.00 33.21 C ATOM 1157 OH TYR A 70 3.557 -4.745 6.641 1.00 10.41 O ATOM 0 H TYR A 70 -0.672 -4.473 1.242 1.00 41.42 H new ATOM 0 HA TYR A 70 -1.526 -3.653 3.779 1.00 61.32 H new ATOM 0 HB2 TYR A 70 0.452 -2.667 1.788 1.00 52.24 H new ATOM 0 HB3 TYR A 70 -0.093 -1.497 2.973 1.00 52.24 H new ATOM 0 HD1 TYR A 70 0.065 -5.104 3.800 1.00 2.45 H new ATOM 0 HD2 TYR A 70 2.079 -1.304 4.027 1.00 44.35 H new ATOM 0 HE1 TYR A 70 1.481 -5.943 5.645 1.00 21.23 H new ATOM 0 HE2 TYR A 70 3.763 -2.290 5.571 1.00 13.54 H new ATOM 0 HH TYR A 70 4.252 -4.100 6.890 1.00 10.41 H new ATOM 1167 N SER A 71 -2.521 -1.818 1.195 1.00 32.42 N ATOM 1168 CA SER A 71 -3.487 -0.836 0.819 1.00 21.13 C ATOM 1169 C SER A 71 -4.884 -1.355 1.040 1.00 14.40 C ATOM 1170 O SER A 71 -5.796 -0.539 0.966 1.00 31.22 O ATOM 1171 CB SER A 71 -3.320 -0.344 -0.602 1.00 2.22 C ATOM 1172 OG SER A 71 -3.222 -1.333 -1.607 1.00 55.24 O ATOM 0 H SER A 71 -1.975 -2.210 0.428 1.00 32.42 H new ATOM 0 HA SER A 71 -3.316 0.026 1.464 1.00 21.13 H new ATOM 0 HB2 SER A 71 -4.165 0.301 -0.841 1.00 2.22 H new ATOM 0 HB3 SER A 71 -2.424 0.275 -0.645 1.00 2.22 H new ATOM 0 HG SER A 71 -3.526 -2.194 -1.250 1.00 55.24 H new ATOM 1178 N ALA A 72 -5.139 -2.648 1.301 1.00 15.41 N ATOM 1179 CA ALA A 72 -6.445 -3.268 1.550 1.00 3.34 C ATOM 1180 C ALA A 72 -6.600 -3.650 3.033 1.00 62.45 C ATOM 1181 O ALA A 72 -7.575 -4.311 3.391 1.00 24.34 O ATOM 1182 CB ALA A 72 -6.582 -4.506 0.644 1.00 61.50 C ATOM 0 H ALA A 72 -4.384 -3.332 1.346 1.00 15.41 H new ATOM 0 HA ALA A 72 -7.237 -2.556 1.318 1.00 3.34 H new ATOM 0 HB1 ALA A 72 -7.549 -4.979 0.817 1.00 61.50 H new ATOM 0 HB2 ALA A 72 -6.509 -4.203 -0.400 1.00 61.50 H new ATOM 0 HB3 ALA A 72 -5.786 -5.214 0.873 1.00 61.50 H new ATOM 1188 N SER A 73 -5.649 -3.241 3.876 1.00 35.42 N ATOM 1189 CA SER A 73 -5.658 -3.558 5.305 1.00 60.33 C ATOM 1190 C SER A 73 -6.919 -3.046 6.008 1.00 33.21 C ATOM 1191 O SER A 73 -7.495 -2.042 5.590 1.00 55.52 O ATOM 1192 CB SER A 73 -4.413 -3.011 6.007 1.00 11.31 C ATOM 1193 OG SER A 73 -3.328 -3.916 5.938 1.00 23.41 O ATOM 0 H SER A 73 -4.849 -2.679 3.585 1.00 35.42 H new ATOM 0 HA SER A 73 -5.654 -4.646 5.375 1.00 60.33 H new ATOM 0 HB2 SER A 73 -4.125 -2.064 5.550 1.00 11.31 H new ATOM 0 HB3 SER A 73 -4.647 -2.803 7.051 1.00 11.31 H new ATOM 0 HG SER A 73 -2.551 -3.531 6.395 1.00 23.41 H new ATOM 1199 N PRO A 74 -7.315 -3.679 7.129 1.00 2.21 N ATOM 1200 CA PRO A 74 -8.504 -3.289 7.870 1.00 65.02 C ATOM 1201 C PRO A 74 -8.352 -1.882 8.406 1.00 42.52 C ATOM 1202 O PRO A 74 -9.234 -1.059 8.212 1.00 52.12 O ATOM 1203 CB PRO A 74 -8.661 -4.305 8.999 1.00 63.44 C ATOM 1204 CG PRO A 74 -7.287 -4.942 9.140 1.00 25.41 C ATOM 1205 CD PRO A 74 -6.699 -4.851 7.735 1.00 3.11 C ATOM 0 HA PRO A 74 -9.390 -3.285 7.235 1.00 65.02 H new ATOM 0 HB2 PRO A 74 -8.970 -3.822 9.926 1.00 63.44 H new ATOM 0 HB3 PRO A 74 -9.420 -5.050 8.759 1.00 63.44 H new ATOM 0 HG2 PRO A 74 -6.672 -4.411 9.866 1.00 25.41 H new ATOM 0 HG3 PRO A 74 -7.358 -5.976 9.478 1.00 25.41 H new ATOM 0 HD2 PRO A 74 -5.614 -4.750 7.770 1.00 3.11 H new ATOM 0 HD3 PRO A 74 -6.917 -5.751 7.159 1.00 3.11 H new ATOM 1213 N ALA A 75 -7.216 -1.594 9.039 1.00 44.11 N ATOM 1214 CA ALA A 75 -6.946 -0.286 9.600 1.00 62.42 C ATOM 1215 C ALA A 75 -6.984 0.795 8.522 1.00 75.02 C ATOM 1216 O ALA A 75 -7.610 1.812 8.761 1.00 4.20 O ATOM 1217 CB ALA A 75 -5.616 -0.314 10.339 1.00 4.13 C ATOM 0 H ALA A 75 -6.461 -2.266 9.174 1.00 44.11 H new ATOM 0 HA ALA A 75 -7.728 -0.034 10.317 1.00 62.42 H new ATOM 0 HB1 ALA A 75 -5.413 0.670 10.761 1.00 4.13 H new ATOM 0 HB2 ALA A 75 -5.661 -1.050 11.141 1.00 4.13 H new ATOM 0 HB3 ALA A 75 -4.820 -0.582 9.645 1.00 4.13 H new ATOM 1223 N TYR A 76 -6.388 0.579 7.340 1.00 70.22 N ATOM 1224 CA TYR A 76 -6.398 1.568 6.256 1.00 30.32 C ATOM 1225 C TYR A 76 -7.844 1.958 5.919 1.00 42.34 C ATOM 1226 O TYR A 76 -8.159 3.143 5.800 1.00 0.23 O ATOM 1227 CB TYR A 76 -5.671 1.008 5.005 1.00 30.45 C ATOM 1228 CG TYR A 76 -5.923 1.774 3.709 1.00 53.51 C ATOM 1229 CD1 TYR A 76 -5.014 2.740 3.237 1.00 23.12 C ATOM 1230 CD2 TYR A 76 -7.106 1.544 2.981 1.00 12.11 C ATOM 1231 CE1 TYR A 76 -5.346 3.533 2.123 1.00 74.42 C ATOM 1232 CE2 TYR A 76 -7.445 2.331 1.866 1.00 5.13 C ATOM 1233 CZ TYR A 76 -6.586 3.373 1.467 1.00 43.03 C ATOM 1234 OH TYR A 76 -6.960 4.225 0.470 1.00 53.24 O ATOM 0 H TYR A 76 -5.889 -0.281 7.111 1.00 70.22 H new ATOM 0 HA TYR A 76 -5.865 2.460 6.584 1.00 30.32 H new ATOM 0 HB2 TYR A 76 -4.599 1.000 5.201 1.00 30.45 H new ATOM 0 HB3 TYR A 76 -5.976 -0.028 4.861 1.00 30.45 H new ATOM 0 HD1 TYR A 76 -4.062 2.872 3.730 1.00 23.12 H new ATOM 0 HD2 TYR A 76 -7.767 0.746 3.285 1.00 12.11 H new ATOM 0 HE1 TYR A 76 -4.644 4.272 1.766 1.00 74.42 H new ATOM 0 HE2 TYR A 76 -8.357 2.138 1.320 1.00 5.13 H new ATOM 0 HH TYR A 76 -7.842 3.965 0.131 1.00 53.24 H new ATOM 1244 N LEU A 77 -8.712 0.952 5.769 1.00 11.42 N ATOM 1245 CA LEU A 77 -10.117 1.141 5.425 1.00 72.05 C ATOM 1246 C LEU A 77 -10.876 1.782 6.579 1.00 72.03 C ATOM 1247 O LEU A 77 -11.585 2.760 6.370 1.00 21.12 O ATOM 1248 CB LEU A 77 -10.758 -0.202 5.038 1.00 71.14 C ATOM 1249 CG LEU A 77 -10.035 -0.906 3.874 1.00 31.11 C ATOM 1250 CD1 LEU A 77 -10.410 -2.380 3.882 1.00 4.43 C ATOM 1251 CD2 LEU A 77 -10.282 -0.245 2.516 1.00 45.24 C ATOM 0 H LEU A 77 -8.451 -0.027 5.885 1.00 11.42 H new ATOM 0 HA LEU A 77 -10.172 1.813 4.568 1.00 72.05 H new ATOM 0 HB2 LEU A 77 -10.760 -0.860 5.907 1.00 71.14 H new ATOM 0 HB3 LEU A 77 -11.799 -0.034 4.762 1.00 71.14 H new ATOM 0 HG LEU A 77 -8.961 -0.808 4.029 1.00 31.11 H new ATOM 0 HD11 LEU A 77 -9.904 -2.889 3.062 1.00 4.43 H new ATOM 0 HD12 LEU A 77 -10.107 -2.827 4.829 1.00 4.43 H new ATOM 0 HD13 LEU A 77 -11.489 -2.482 3.761 1.00 4.43 H new ATOM 0 HD21 LEU A 77 -9.743 -0.792 1.742 1.00 45.24 H new ATOM 0 HD22 LEU A 77 -11.349 -0.258 2.294 1.00 45.24 H new ATOM 0 HD23 LEU A 77 -9.930 0.786 2.544 1.00 45.24 H new ATOM 1263 N SER A 78 -10.691 1.266 7.792 1.00 71.43 N ATOM 1264 CA SER A 78 -11.324 1.756 9.012 1.00 60.25 C ATOM 1265 C SER A 78 -10.943 3.233 9.238 1.00 34.02 C ATOM 1266 O SER A 78 -11.775 4.068 9.610 1.00 74.21 O ATOM 1267 CB SER A 78 -10.899 0.841 10.177 1.00 75.42 C ATOM 1268 OG SER A 78 -11.808 0.901 11.256 1.00 60.04 O ATOM 0 H SER A 78 -10.076 0.469 7.957 1.00 71.43 H new ATOM 0 HA SER A 78 -12.411 1.724 8.937 1.00 60.25 H new ATOM 0 HB2 SER A 78 -10.825 -0.187 9.822 1.00 75.42 H new ATOM 0 HB3 SER A 78 -9.907 1.131 10.522 1.00 75.42 H new ATOM 0 HG SER A 78 -11.504 0.306 11.973 1.00 60.04 H new ATOM 1274 N CYS A 79 -9.698 3.594 8.937 1.00 40.41 N ATOM 1275 CA CYS A 79 -9.137 4.920 9.079 1.00 55.45 C ATOM 1276 C CYS A 79 -9.609 5.892 7.992 1.00 3.12 C ATOM 1277 O CYS A 79 -9.042 6.978 7.947 1.00 63.23 O ATOM 1278 CB CYS A 79 -7.612 4.814 9.193 1.00 20.03 C ATOM 1279 SG CYS A 79 -6.902 6.234 10.074 1.00 51.51 S ATOM 0 H CYS A 79 -9.022 2.926 8.567 1.00 40.41 H new ATOM 0 HA CYS A 79 -9.513 5.362 10.001 1.00 55.45 H new ATOM 0 HB2 CYS A 79 -7.350 3.894 9.715 1.00 20.03 H new ATOM 0 HB3 CYS A 79 -7.176 4.750 8.196 1.00 20.03 H new ATOM 0 HG CYS A 79 -7.440 7.332 9.632 1.00 51.51 H new ATOM 1285 N GLN A 80 -10.549 5.521 7.101 1.00 73.34 N ATOM 1286 CA GLN A 80 -11.135 6.332 6.022 1.00 22.15 C ATOM 1287 C GLN A 80 -11.358 7.800 6.447 1.00 52.42 C ATOM 1288 O GLN A 80 -12.470 8.203 6.804 1.00 74.11 O ATOM 1289 CB GLN A 80 -12.470 5.713 5.557 1.00 64.02 C ATOM 1290 CG GLN A 80 -13.463 5.395 6.697 1.00 1.24 C ATOM 1291 CD GLN A 80 -14.872 5.899 6.422 1.00 12.30 C ATOM 1292 OE1 GLN A 80 -15.851 5.162 6.517 1.00 53.23 O ATOM 1293 NE2 GLN A 80 -15.004 7.174 6.100 1.00 51.53 N ATOM 0 H GLN A 80 -10.945 4.581 7.120 1.00 73.34 H new ATOM 0 HA GLN A 80 -10.422 6.334 5.197 1.00 22.15 H new ATOM 0 HB2 GLN A 80 -12.948 6.398 4.857 1.00 64.02 H new ATOM 0 HB3 GLN A 80 -12.258 4.794 5.010 1.00 64.02 H new ATOM 0 HG2 GLN A 80 -13.494 4.317 6.853 1.00 1.24 H new ATOM 0 HG3 GLN A 80 -13.099 5.841 7.623 1.00 1.24 H new ATOM 0 HE21 GLN A 80 -14.179 7.769 6.026 1.00 51.53 H new ATOM 0 HE22 GLN A 80 -15.931 7.563 5.925 1.00 51.53 H new ATOM 1302 N LYS A 81 -10.330 8.636 6.341 1.00 2.02 N ATOM 1303 CA LYS A 81 -10.378 10.040 6.715 1.00 64.21 C ATOM 1304 C LYS A 81 -10.128 10.824 5.444 1.00 74.53 C ATOM 1305 O LYS A 81 -8.971 10.856 5.004 1.00 73.54 O ATOM 1306 CB LYS A 81 -9.373 10.355 7.842 1.00 20.25 C ATOM 1307 CG LYS A 81 -9.935 9.929 9.204 1.00 74.35 C ATOM 1308 CD LYS A 81 -8.895 10.015 10.323 1.00 23.14 C ATOM 1309 CE LYS A 81 -9.570 9.504 11.600 1.00 75.34 C ATOM 1310 NZ LYS A 81 -8.771 9.738 12.819 1.00 32.15 N ATOM 0 H LYS A 81 -9.420 8.346 5.984 1.00 2.02 H new ATOM 0 HA LYS A 81 -11.346 10.318 7.132 1.00 64.21 H new ATOM 0 HB2 LYS A 81 -8.433 9.837 7.653 1.00 20.25 H new ATOM 0 HB3 LYS A 81 -9.153 11.422 7.852 1.00 20.25 H new ATOM 0 HG2 LYS A 81 -10.787 10.561 9.455 1.00 74.35 H new ATOM 0 HG3 LYS A 81 -10.306 8.906 9.136 1.00 74.35 H new ATOM 0 HD2 LYS A 81 -8.019 9.413 10.082 1.00 23.14 H new ATOM 0 HD3 LYS A 81 -8.551 11.041 10.452 1.00 23.14 H new ATOM 0 HE2 LYS A 81 -10.539 9.992 11.710 1.00 75.34 H new ATOM 0 HE3 LYS A 81 -9.761 8.436 11.499 1.00 75.34 H new ATOM 0 HZ1 LYS A 81 -9.283 9.370 13.646 1.00 32.15 H new ATOM 0 HZ2 LYS A 81 -7.856 9.251 12.733 1.00 32.15 H new ATOM 0 HZ3 LYS A 81 -8.610 10.759 12.938 1.00 32.15 H new ATOM 1324 N PRO A 82 -11.185 11.348 4.800 1.00 72.52 N ATOM 1325 CA PRO A 82 -11.053 12.144 3.592 1.00 41.42 C ATOM 1326 C PRO A 82 -10.413 13.480 3.984 1.00 31.00 C ATOM 1327 O PRO A 82 -10.018 13.666 5.140 1.00 44.12 O ATOM 1328 CB PRO A 82 -12.488 12.326 3.076 1.00 73.42 C ATOM 1329 CG PRO A 82 -13.316 12.331 4.353 1.00 5.42 C ATOM 1330 CD PRO A 82 -12.577 11.337 5.240 1.00 11.33 C ATOM 0 HA PRO A 82 -10.430 11.690 2.821 1.00 41.42 H new ATOM 0 HB2 PRO A 82 -12.601 13.256 2.519 1.00 73.42 H new ATOM 0 HB3 PRO A 82 -12.782 11.516 2.408 1.00 73.42 H new ATOM 0 HG2 PRO A 82 -13.357 13.322 4.804 1.00 5.42 H new ATOM 0 HG3 PRO A 82 -14.345 12.021 4.169 1.00 5.42 H new ATOM 0 HD2 PRO A 82 -12.655 11.620 6.290 1.00 11.33 H new ATOM 0 HD3 PRO A 82 -13.006 10.339 5.147 1.00 11.33 H new ATOM 1338 N ASP A 83 -10.229 14.367 3.005 1.00 35.32 N ATOM 1339 CA ASP A 83 -9.669 15.717 3.185 1.00 71.53 C ATOM 1340 C ASP A 83 -8.443 15.649 4.106 1.00 11.43 C ATOM 1341 O ASP A 83 -8.351 16.297 5.155 1.00 63.13 O ATOM 1342 CB ASP A 83 -10.797 16.635 3.686 1.00 1.24 C ATOM 1343 CG ASP A 83 -12.072 16.501 2.849 1.00 54.33 C ATOM 1344 OD1 ASP A 83 -11.971 16.304 1.612 1.00 25.21 O ATOM 1345 OD2 ASP A 83 -13.182 16.562 3.424 1.00 34.11 O ATOM 0 H ASP A 83 -10.471 14.165 2.035 1.00 35.32 H new ATOM 0 HA ASP A 83 -9.303 16.141 2.250 1.00 71.53 H new ATOM 0 HB2 ASP A 83 -11.021 16.397 4.726 1.00 1.24 H new ATOM 0 HB3 ASP A 83 -10.457 17.670 3.662 1.00 1.24 H new ATOM 1350 N THR A 84 -7.508 14.789 3.690 1.00 31.43 N ATOM 1351 CA THR A 84 -6.271 14.461 4.390 1.00 1.15 C ATOM 1352 C THR A 84 -4.987 14.757 3.629 1.00 51.14 C ATOM 1353 O THR A 84 -3.936 14.697 4.262 1.00 5.35 O ATOM 1354 CB THR A 84 -6.387 12.964 4.780 1.00 22.12 C ATOM 1355 OG1 THR A 84 -5.358 12.470 5.626 1.00 23.20 O ATOM 1356 CG2 THR A 84 -6.426 12.072 3.523 1.00 52.11 C ATOM 0 H THR A 84 -7.602 14.279 2.811 1.00 31.43 H new ATOM 0 HA THR A 84 -6.177 15.112 5.259 1.00 1.15 H new ATOM 0 HB THR A 84 -7.317 12.917 5.346 1.00 22.12 H new ATOM 0 HG1 THR A 84 -4.564 13.037 5.540 1.00 23.20 H new ATOM 0 HG21 THR A 84 -6.507 11.027 3.821 1.00 52.11 H new ATOM 0 HG22 THR A 84 -7.286 12.343 2.911 1.00 52.11 H new ATOM 0 HG23 THR A 84 -5.512 12.215 2.947 1.00 52.11 H new ATOM 1364 N ALA A 85 -5.059 15.050 2.321 1.00 52.04 N ATOM 1365 CA ALA A 85 -3.911 15.351 1.464 1.00 71.21 C ATOM 1366 C ALA A 85 -2.797 14.304 1.534 1.00 74.34 C ATOM 1367 O ALA A 85 -2.021 14.191 2.488 1.00 2.40 O ATOM 1368 CB ALA A 85 -3.407 16.775 1.704 1.00 74.43 C ATOM 0 H ALA A 85 -5.947 15.084 1.819 1.00 52.04 H new ATOM 0 HA ALA A 85 -4.268 15.297 0.435 1.00 71.21 H new ATOM 0 HB1 ALA A 85 -2.554 16.973 1.055 1.00 74.43 H new ATOM 0 HB2 ALA A 85 -4.204 17.485 1.483 1.00 74.43 H new ATOM 0 HB3 ALA A 85 -3.104 16.883 2.745 1.00 74.43 H new ATOM 1374 N ARG A 86 -2.809 13.409 0.551 1.00 40.41 N ATOM 1375 CA ARG A 86 -1.771 12.378 0.486 1.00 72.12 C ATOM 1376 C ARG A 86 -0.538 13.026 -0.146 1.00 51.41 C ATOM 1377 O ARG A 86 -0.540 14.204 -0.498 1.00 41.44 O ATOM 1378 CB ARG A 86 -2.187 11.106 -0.267 1.00 55.23 C ATOM 1379 CG ARG A 86 -3.496 10.475 0.195 1.00 70.31 C ATOM 1380 CD ARG A 86 -4.640 10.881 -0.725 1.00 72.43 C ATOM 1381 NE ARG A 86 -4.502 10.241 -2.039 1.00 43.40 N ATOM 1382 CZ ARG A 86 -5.085 10.648 -3.166 1.00 52.43 C ATOM 1383 NH1 ARG A 86 -5.709 11.816 -3.259 1.00 15.20 N ATOM 1384 NH2 ARG A 86 -5.041 9.845 -4.208 1.00 24.32 N ATOM 0 H ARG A 86 -3.504 13.372 -0.194 1.00 40.41 H new ATOM 0 HA ARG A 86 -1.567 12.026 1.497 1.00 72.12 H new ATOM 0 HB2 ARG A 86 -2.271 11.342 -1.328 1.00 55.23 H new ATOM 0 HB3 ARG A 86 -1.391 10.368 -0.167 1.00 55.23 H new ATOM 0 HG2 ARG A 86 -3.399 9.389 0.206 1.00 70.31 H new ATOM 0 HG3 ARG A 86 -3.715 10.786 1.216 1.00 70.31 H new ATOM 0 HD2 ARG A 86 -5.592 10.599 -0.276 1.00 72.43 H new ATOM 0 HD3 ARG A 86 -4.652 11.965 -0.842 1.00 72.43 H new ATOM 0 HE ARG A 86 -3.909 9.413 -2.094 1.00 43.40 H new ATOM 0 HH11 ARG A 86 -5.754 12.436 -2.450 1.00 15.20 H new ATOM 0 HH12 ARG A 86 -6.144 12.093 -4.139 1.00 15.20 H new ATOM 0 HH21 ARG A 86 -4.571 8.943 -4.137 1.00 24.32 H new ATOM 0 HH22 ARG A 86 -5.477 10.125 -5.086 1.00 24.32 H new ATOM 1398 N VAL A 87 0.520 12.248 -0.259 1.00 62.24 N ATOM 1399 CA VAL A 87 1.782 12.644 -0.844 1.00 51.23 C ATOM 1400 C VAL A 87 2.204 11.496 -1.762 1.00 1.35 C ATOM 1401 O VAL A 87 1.691 10.372 -1.639 1.00 52.51 O ATOM 1402 CB VAL A 87 2.829 12.977 0.240 1.00 61.34 C ATOM 1403 CG1 VAL A 87 2.599 14.344 0.893 1.00 71.32 C ATOM 1404 CG2 VAL A 87 2.830 11.942 1.371 1.00 21.41 C ATOM 0 H VAL A 87 0.522 11.282 0.069 1.00 62.24 H new ATOM 0 HA VAL A 87 1.689 13.564 -1.420 1.00 51.23 H new ATOM 0 HB VAL A 87 3.781 12.976 -0.291 1.00 61.34 H new ATOM 0 HG11 VAL A 87 3.367 14.521 1.646 1.00 71.32 H new ATOM 0 HG12 VAL A 87 2.650 15.124 0.133 1.00 71.32 H new ATOM 0 HG13 VAL A 87 1.617 14.361 1.365 1.00 71.32 H new ATOM 0 HG21 VAL A 87 3.581 12.214 2.112 1.00 21.41 H new ATOM 0 HG22 VAL A 87 1.847 11.917 1.842 1.00 21.41 H new ATOM 0 HG23 VAL A 87 3.062 10.958 0.964 1.00 21.41 H new ATOM 1414 N ASP A 88 3.049 11.797 -2.739 1.00 12.41 N ATOM 1415 CA ASP A 88 3.602 10.835 -3.684 1.00 14.42 C ATOM 1416 C ASP A 88 4.980 10.439 -3.155 1.00 20.41 C ATOM 1417 O ASP A 88 5.404 10.883 -2.077 1.00 54.31 O ATOM 1418 CB ASP A 88 3.590 11.352 -5.136 1.00 42.23 C ATOM 1419 CG ASP A 88 4.372 12.640 -5.372 1.00 54.11 C ATOM 1420 OD1 ASP A 88 3.871 13.480 -6.158 1.00 15.31 O ATOM 1421 OD2 ASP A 88 5.426 12.825 -4.729 1.00 44.45 O ATOM 0 H ASP A 88 3.379 12.748 -2.901 1.00 12.41 H new ATOM 0 HA ASP A 88 2.979 9.943 -3.748 1.00 14.42 H new ATOM 0 HB2 ASP A 88 3.995 10.575 -5.785 1.00 42.23 H new ATOM 0 HB3 ASP A 88 2.555 11.513 -5.439 1.00 42.23 H new ATOM 1426 N ILE A 89 5.649 9.514 -3.844 1.00 52.44 N ATOM 1427 CA ILE A 89 6.972 9.049 -3.442 1.00 20.51 C ATOM 1428 C ILE A 89 7.972 10.205 -3.424 1.00 10.00 C ATOM 1429 O ILE A 89 8.853 10.197 -2.586 1.00 22.33 O ATOM 1430 CB ILE A 89 7.490 7.872 -4.313 1.00 33.34 C ATOM 1431 CG1 ILE A 89 7.633 8.277 -5.792 1.00 72.35 C ATOM 1432 CG2 ILE A 89 6.662 6.596 -4.109 1.00 73.22 C ATOM 1433 CD1 ILE A 89 8.003 7.129 -6.721 1.00 73.11 C ATOM 0 H ILE A 89 5.291 9.070 -4.690 1.00 52.44 H new ATOM 0 HA ILE A 89 6.873 8.659 -2.429 1.00 20.51 H new ATOM 0 HB ILE A 89 8.495 7.628 -3.969 1.00 33.34 H new ATOM 0 HG12 ILE A 89 6.693 8.714 -6.130 1.00 72.35 H new ATOM 0 HG13 ILE A 89 8.393 9.054 -5.872 1.00 72.35 H new ATOM 0 HG21 ILE A 89 7.060 5.800 -4.738 1.00 73.22 H new ATOM 0 HG22 ILE A 89 6.713 6.293 -3.063 1.00 73.22 H new ATOM 0 HG23 ILE A 89 5.624 6.788 -4.381 1.00 73.22 H new ATOM 0 HD11 ILE A 89 8.084 7.499 -7.743 1.00 73.11 H new ATOM 0 HD12 ILE A 89 8.958 6.705 -6.412 1.00 73.11 H new ATOM 0 HD13 ILE A 89 7.232 6.360 -6.674 1.00 73.11 H new ATOM 1445 N TYR A 90 7.821 11.241 -4.246 1.00 23.10 N ATOM 1446 CA TYR A 90 8.759 12.354 -4.281 1.00 10.43 C ATOM 1447 C TYR A 90 8.515 13.337 -3.128 1.00 60.33 C ATOM 1448 O TYR A 90 9.256 14.319 -3.006 1.00 74.30 O ATOM 1449 CB TYR A 90 8.614 13.028 -5.652 1.00 42.33 C ATOM 1450 CG TYR A 90 9.400 12.341 -6.744 1.00 24.51 C ATOM 1451 CD1 TYR A 90 8.882 11.238 -7.446 1.00 44.14 C ATOM 1452 CD2 TYR A 90 10.684 12.811 -7.042 1.00 21.23 C ATOM 1453 CE1 TYR A 90 9.643 10.607 -8.446 1.00 3.43 C ATOM 1454 CE2 TYR A 90 11.453 12.186 -8.029 1.00 53.32 C ATOM 1455 CZ TYR A 90 10.946 11.069 -8.728 1.00 71.12 C ATOM 1456 OH TYR A 90 11.726 10.441 -9.644 1.00 24.22 O ATOM 0 H TYR A 90 7.046 11.330 -4.904 1.00 23.10 H new ATOM 0 HA TYR A 90 9.780 11.996 -4.147 1.00 10.43 H new ATOM 0 HB2 TYR A 90 7.560 13.047 -5.930 1.00 42.33 H new ATOM 0 HB3 TYR A 90 8.942 14.065 -5.576 1.00 42.33 H new ATOM 0 HD1 TYR A 90 7.892 10.873 -7.215 1.00 44.14 H new ATOM 0 HD2 TYR A 90 11.083 13.660 -6.507 1.00 21.23 H new ATOM 0 HE1 TYR A 90 9.232 9.773 -8.995 1.00 3.43 H new ATOM 0 HE2 TYR A 90 12.440 12.560 -8.258 1.00 53.32 H new ATOM 0 HH TYR A 90 12.590 10.899 -9.707 1.00 24.22 H new ATOM 1466 N GLY A 91 7.535 13.059 -2.260 1.00 3.20 N ATOM 1467 CA GLY A 91 7.182 13.886 -1.122 1.00 25.30 C ATOM 1468 C GLY A 91 6.334 15.072 -1.551 1.00 65.23 C ATOM 1469 O GLY A 91 6.157 15.995 -0.752 1.00 34.30 O ATOM 0 H GLY A 91 6.954 12.225 -2.341 1.00 3.20 H new ATOM 0 HA2 GLY A 91 6.636 13.290 -0.391 1.00 25.30 H new ATOM 0 HA3 GLY A 91 8.088 14.241 -0.631 1.00 25.30 H new ATOM 1473 N ASN A 92 5.891 15.114 -2.814 1.00 72.34 N ATOM 1474 CA ASN A 92 5.068 16.206 -3.285 1.00 52.23 C ATOM 1475 C ASN A 92 3.670 15.974 -2.761 1.00 25.12 C ATOM 1476 O ASN A 92 3.252 14.837 -2.527 1.00 74.45 O ATOM 1477 CB ASN A 92 4.927 16.301 -4.806 1.00 60.12 C ATOM 1478 CG ASN A 92 6.197 16.080 -5.601 1.00 51.24 C ATOM 1479 OD1 ASN A 92 7.209 16.730 -5.342 1.00 34.13 O ATOM 1480 ND2 ASN A 92 6.144 15.188 -6.582 1.00 14.44 N ATOM 0 H ASN A 92 6.094 14.402 -3.516 1.00 72.34 H new ATOM 0 HA ASN A 92 5.552 17.119 -2.938 1.00 52.23 H new ATOM 0 HB2 ASN A 92 4.186 15.570 -5.130 1.00 60.12 H new ATOM 0 HB3 ASN A 92 4.532 17.286 -5.054 1.00 60.12 H new ATOM 0 HD21 ASN A 92 6.966 15.017 -7.160 1.00 14.44 H new ATOM 0 HD22 ASN A 92 5.281 14.674 -6.758 1.00 14.44 H new ATOM 1487 N GLU A 93 2.956 17.071 -2.598 1.00 32.04 N ATOM 1488 CA GLU A 93 1.593 17.063 -2.140 1.00 70.40 C ATOM 1489 C GLU A 93 0.715 16.618 -3.301 1.00 43.03 C ATOM 1490 O GLU A 93 0.967 16.921 -4.470 1.00 71.41 O ATOM 1491 CB GLU A 93 1.254 18.456 -1.590 1.00 54.41 C ATOM 1492 CG GLU A 93 1.252 18.389 -0.057 1.00 54.05 C ATOM 1493 CD GLU A 93 1.623 19.711 0.610 1.00 63.44 C ATOM 1494 OE1 GLU A 93 0.786 20.628 0.645 1.00 3.42 O ATOM 1495 OE2 GLU A 93 2.719 19.786 1.227 1.00 71.45 O ATOM 0 H GLU A 93 3.319 18.006 -2.785 1.00 32.04 H new ATOM 0 HA GLU A 93 1.423 16.362 -1.323 1.00 70.40 H new ATOM 0 HB2 GLU A 93 1.984 19.187 -1.936 1.00 54.41 H new ATOM 0 HB3 GLU A 93 0.280 18.781 -1.956 1.00 54.41 H new ATOM 0 HG2 GLU A 93 0.263 18.084 0.284 1.00 54.05 H new ATOM 0 HG3 GLU A 93 1.952 17.619 0.266 1.00 54.05 H new ATOM 1502 N VAL A 94 -0.299 15.835 -2.962 1.00 21.41 N ATOM 1503 CA VAL A 94 -1.274 15.300 -3.888 1.00 33.42 C ATOM 1504 C VAL A 94 -2.641 15.764 -3.410 1.00 35.43 C ATOM 1505 O VAL A 94 -2.762 16.443 -2.384 1.00 34.33 O ATOM 1506 CB VAL A 94 -1.061 13.811 -4.221 1.00 72.04 C ATOM 1507 CG1 VAL A 94 0.428 13.472 -4.310 1.00 14.32 C ATOM 1508 CG2 VAL A 94 -1.772 12.823 -3.294 1.00 1.04 C ATOM 0 H VAL A 94 -0.467 15.547 -1.998 1.00 21.41 H new ATOM 0 HA VAL A 94 -1.155 15.698 -4.896 1.00 33.42 H new ATOM 0 HB VAL A 94 -1.533 13.685 -5.195 1.00 72.04 H new ATOM 0 HG11 VAL A 94 0.547 12.415 -4.546 1.00 14.32 H new ATOM 0 HG12 VAL A 94 0.892 14.073 -5.092 1.00 14.32 H new ATOM 0 HG13 VAL A 94 0.908 13.687 -3.355 1.00 14.32 H new ATOM 0 HG21 VAL A 94 -1.557 11.804 -3.615 1.00 1.04 H new ATOM 0 HG22 VAL A 94 -1.419 12.964 -2.272 1.00 1.04 H new ATOM 0 HG23 VAL A 94 -2.847 12.997 -3.333 1.00 1.04 H new ATOM 1518 N ASP A 95 -3.684 15.395 -4.140 1.00 25.51 N ATOM 1519 CA ASP A 95 -5.027 15.833 -3.804 1.00 2.00 C ATOM 1520 C ASP A 95 -5.542 14.971 -2.647 1.00 21.33 C ATOM 1521 O ASP A 95 -4.818 14.133 -2.083 1.00 3.14 O ATOM 1522 CB ASP A 95 -5.891 15.719 -5.070 1.00 63.13 C ATOM 1523 CG ASP A 95 -7.077 16.688 -5.100 1.00 64.32 C ATOM 1524 OD1 ASP A 95 -7.737 16.898 -4.065 1.00 12.40 O ATOM 1525 OD2 ASP A 95 -7.367 17.240 -6.180 1.00 4.05 O ATOM 0 H ASP A 95 -3.625 14.797 -4.964 1.00 25.51 H new ATOM 0 HA ASP A 95 -5.056 16.871 -3.472 1.00 2.00 H new ATOM 0 HB2 ASP A 95 -5.264 15.900 -5.943 1.00 63.13 H new ATOM 0 HB3 ASP A 95 -6.266 14.699 -5.152 1.00 63.13 H new ATOM 1530 N VAL A 96 -6.798 15.120 -2.262 1.00 25.45 N ATOM 1531 CA VAL A 96 -7.350 14.407 -1.128 1.00 2.44 C ATOM 1532 C VAL A 96 -8.406 13.386 -1.512 1.00 23.13 C ATOM 1533 O VAL A 96 -8.993 13.432 -2.593 1.00 74.24 O ATOM 1534 CB VAL A 96 -7.873 15.467 -0.135 1.00 54.32 C ATOM 1535 CG1 VAL A 96 -6.913 16.656 0.072 1.00 11.10 C ATOM 1536 CG2 VAL A 96 -9.219 16.056 -0.556 1.00 21.25 C ATOM 0 H VAL A 96 -7.462 15.739 -2.728 1.00 25.45 H new ATOM 0 HA VAL A 96 -6.572 13.804 -0.661 1.00 2.44 H new ATOM 0 HB VAL A 96 -7.969 14.909 0.797 1.00 54.32 H new ATOM 0 HG11 VAL A 96 -7.350 17.357 0.783 1.00 11.10 H new ATOM 0 HG12 VAL A 96 -5.962 16.292 0.460 1.00 11.10 H new ATOM 0 HG13 VAL A 96 -6.747 17.160 -0.880 1.00 11.10 H new ATOM 0 HG21 VAL A 96 -9.538 16.795 0.179 1.00 21.25 H new ATOM 0 HG22 VAL A 96 -9.118 16.533 -1.531 1.00 21.25 H new ATOM 0 HG23 VAL A 96 -9.961 15.260 -0.616 1.00 21.25 H new ATOM 1546 N VAL A 97 -8.585 12.409 -0.626 1.00 4.52 N ATOM 1547 CA VAL A 97 -9.604 11.378 -0.863 1.00 52.23 C ATOM 1548 C VAL A 97 -10.952 12.060 -0.661 1.00 64.42 C ATOM 1549 O VAL A 97 -11.155 12.707 0.367 1.00 50.42 O ATOM 1550 CB VAL A 97 -9.466 10.132 0.035 1.00 4.33 C ATOM 1551 CG1 VAL A 97 -10.341 8.950 -0.425 1.00 20.13 C ATOM 1552 CG2 VAL A 97 -8.005 9.682 0.014 1.00 21.34 C ATOM 0 H VAL A 97 -8.057 12.306 0.240 1.00 4.52 H new ATOM 0 HA VAL A 97 -9.487 10.985 -1.873 1.00 52.23 H new ATOM 0 HB VAL A 97 -9.799 10.415 1.034 1.00 4.33 H new ATOM 0 HG11 VAL A 97 -10.197 8.106 0.250 1.00 20.13 H new ATOM 0 HG12 VAL A 97 -11.389 9.248 -0.414 1.00 20.13 H new ATOM 0 HG13 VAL A 97 -10.057 8.659 -1.436 1.00 20.13 H new ATOM 0 HG21 VAL A 97 -7.887 8.801 0.644 1.00 21.34 H new ATOM 0 HG22 VAL A 97 -7.714 9.439 -1.008 1.00 21.34 H new ATOM 0 HG23 VAL A 97 -7.371 10.485 0.391 1.00 21.34 H new ATOM 1562 N THR A 98 -11.818 11.964 -1.665 1.00 62.33 N ATOM 1563 CA THR A 98 -13.152 12.535 -1.636 1.00 34.31 C ATOM 1564 C THR A 98 -13.948 11.852 -0.512 1.00 33.42 C ATOM 1565 O THR A 98 -13.658 10.703 -0.164 1.00 31.15 O ATOM 1566 CB THR A 98 -13.846 12.414 -3.015 1.00 12.13 C ATOM 1567 OG1 THR A 98 -13.167 11.542 -3.912 1.00 2.23 O ATOM 1568 CG2 THR A 98 -13.966 13.788 -3.684 1.00 22.21 C ATOM 0 H THR A 98 -11.604 11.477 -2.536 1.00 62.33 H new ATOM 0 HA THR A 98 -13.097 13.603 -1.427 1.00 34.31 H new ATOM 0 HB THR A 98 -14.831 11.993 -2.810 1.00 12.13 H new ATOM 0 HG1 THR A 98 -13.652 11.505 -4.763 1.00 2.23 H new ATOM 0 HG21 THR A 98 -14.456 13.680 -4.651 1.00 22.21 H new ATOM 0 HG22 THR A 98 -14.555 14.451 -3.050 1.00 22.21 H new ATOM 0 HG23 THR A 98 -12.972 14.211 -3.826 1.00 22.21 H new ATOM 1576 N PRO A 99 -14.996 12.491 0.025 1.00 20.25 N ATOM 1577 CA PRO A 99 -15.778 11.932 1.118 1.00 14.23 C ATOM 1578 C PRO A 99 -16.477 10.630 0.748 1.00 33.53 C ATOM 1579 O PRO A 99 -16.444 9.659 1.509 1.00 20.33 O ATOM 1580 CB PRO A 99 -16.774 13.024 1.511 1.00 61.43 C ATOM 1581 CG PRO A 99 -16.833 13.967 0.311 1.00 33.12 C ATOM 1582 CD PRO A 99 -15.448 13.829 -0.309 1.00 13.12 C ATOM 0 HA PRO A 99 -15.131 11.657 1.951 1.00 14.23 H new ATOM 0 HB2 PRO A 99 -17.755 12.602 1.728 1.00 61.43 H new ATOM 0 HB3 PRO A 99 -16.448 13.549 2.408 1.00 61.43 H new ATOM 0 HG2 PRO A 99 -17.618 13.680 -0.389 1.00 33.12 H new ATOM 0 HG3 PRO A 99 -17.037 14.994 0.615 1.00 33.12 H new ATOM 0 HD2 PRO A 99 -15.487 13.970 -1.389 1.00 13.12 H new ATOM 0 HD3 PRO A 99 -14.766 14.582 0.086 1.00 13.12 H new ATOM 1590 N GLU A 100 -17.098 10.613 -0.429 1.00 25.03 N ATOM 1591 CA GLU A 100 -17.827 9.470 -0.948 1.00 22.34 C ATOM 1592 C GLU A 100 -16.901 8.280 -1.201 1.00 42.13 C ATOM 1593 O GLU A 100 -17.288 7.132 -0.977 1.00 34.21 O ATOM 1594 CB GLU A 100 -18.560 9.883 -2.226 1.00 23.02 C ATOM 1595 CG GLU A 100 -19.763 10.797 -1.905 1.00 73.24 C ATOM 1596 CD GLU A 100 -20.973 10.551 -2.817 1.00 35.11 C ATOM 1597 OE1 GLU A 100 -21.740 11.510 -3.060 1.00 23.53 O ATOM 1598 OE2 GLU A 100 -21.203 9.370 -3.177 1.00 32.14 O ATOM 0 H GLU A 100 -17.105 11.415 -1.059 1.00 25.03 H new ATOM 0 HA GLU A 100 -18.555 9.147 -0.204 1.00 22.34 H new ATOM 0 HB2 GLU A 100 -17.872 10.403 -2.892 1.00 23.02 H new ATOM 0 HB3 GLU A 100 -18.905 8.994 -2.755 1.00 23.02 H new ATOM 0 HG2 GLU A 100 -20.061 10.643 -0.868 1.00 73.24 H new ATOM 0 HG3 GLU A 100 -19.454 11.838 -1.996 1.00 73.24 H new ATOM 1605 N GLN A 101 -15.677 8.527 -1.676 1.00 54.01 N ATOM 1606 CA GLN A 101 -14.726 7.454 -1.933 1.00 23.14 C ATOM 1607 C GLN A 101 -14.094 6.987 -0.626 1.00 14.31 C ATOM 1608 O GLN A 101 -13.944 5.781 -0.422 1.00 71.15 O ATOM 1609 CB GLN A 101 -13.664 7.885 -2.943 1.00 30.22 C ATOM 1610 CG GLN A 101 -14.251 7.918 -4.365 1.00 64.22 C ATOM 1611 CD GLN A 101 -13.172 7.748 -5.434 1.00 54.32 C ATOM 1612 OE1 GLN A 101 -12.026 8.151 -5.254 1.00 72.24 O ATOM 1613 NE2 GLN A 101 -13.469 7.115 -6.553 1.00 71.14 N ATOM 0 H GLN A 101 -15.326 9.461 -1.889 1.00 54.01 H new ATOM 0 HA GLN A 101 -15.264 6.614 -2.372 1.00 23.14 H new ATOM 0 HB2 GLN A 101 -13.282 8.871 -2.679 1.00 30.22 H new ATOM 0 HB3 GLN A 101 -12.820 7.196 -2.908 1.00 30.22 H new ATOM 0 HG2 GLN A 101 -14.993 7.126 -4.469 1.00 64.22 H new ATOM 0 HG3 GLN A 101 -14.770 8.864 -4.521 1.00 64.22 H new ATOM 0 HE21 GLN A 101 -14.418 6.777 -6.711 1.00 71.14 H new ATOM 0 HE22 GLN A 101 -12.749 6.964 -7.260 1.00 71.14 H new ATOM 1622 N ALA A 102 -13.759 7.907 0.285 1.00 41.31 N ATOM 1623 CA ALA A 102 -13.165 7.530 1.554 1.00 34.10 C ATOM 1624 C ALA A 102 -14.123 6.597 2.284 1.00 43.10 C ATOM 1625 O ALA A 102 -13.718 5.509 2.678 1.00 11.53 O ATOM 1626 CB ALA A 102 -12.846 8.759 2.410 1.00 62.12 C ATOM 0 H ALA A 102 -13.892 8.911 0.160 1.00 41.31 H new ATOM 0 HA ALA A 102 -12.221 7.018 1.368 1.00 34.10 H new ATOM 0 HB1 ALA A 102 -12.402 8.440 3.353 1.00 62.12 H new ATOM 0 HB2 ALA A 102 -12.144 9.401 1.878 1.00 62.12 H new ATOM 0 HB3 ALA A 102 -13.764 9.312 2.609 1.00 62.12 H new ATOM 1632 N LYS A 103 -15.404 6.954 2.405 1.00 44.03 N ATOM 1633 CA LYS A 103 -16.353 6.094 3.103 1.00 12.24 C ATOM 1634 C LYS A 103 -16.553 4.755 2.418 1.00 74.15 C ATOM 1635 O LYS A 103 -16.849 3.785 3.109 1.00 62.24 O ATOM 1636 CB LYS A 103 -17.661 6.828 3.408 1.00 42.35 C ATOM 1637 CG LYS A 103 -18.582 7.011 2.191 1.00 42.13 C ATOM 1638 CD LYS A 103 -19.899 7.678 2.591 1.00 71.23 C ATOM 1639 CE LYS A 103 -19.702 9.174 2.843 1.00 54.42 C ATOM 1640 NZ LYS A 103 -20.906 9.783 3.438 1.00 4.22 N ATOM 0 H LYS A 103 -15.800 7.818 2.035 1.00 44.03 H new ATOM 0 HA LYS A 103 -15.910 5.848 4.068 1.00 12.24 H new ATOM 0 HB2 LYS A 103 -18.201 6.278 4.179 1.00 42.35 H new ATOM 0 HB3 LYS A 103 -17.426 7.809 3.822 1.00 42.35 H new ATOM 0 HG2 LYS A 103 -18.078 7.617 1.438 1.00 42.13 H new ATOM 0 HG3 LYS A 103 -18.785 6.042 1.736 1.00 42.13 H new ATOM 0 HD2 LYS A 103 -20.638 7.533 1.803 1.00 71.23 H new ATOM 0 HD3 LYS A 103 -20.293 7.203 3.490 1.00 71.23 H new ATOM 0 HE2 LYS A 103 -18.851 9.324 3.507 1.00 54.42 H new ATOM 0 HE3 LYS A 103 -19.465 9.675 1.904 1.00 54.42 H new ATOM 0 HZ1 LYS A 103 -20.740 10.797 3.596 1.00 4.22 H new ATOM 0 HZ2 LYS A 103 -21.712 9.661 2.792 1.00 4.22 H new ATOM 0 HZ3 LYS A 103 -21.116 9.321 4.346 1.00 4.22 H new ATOM 1654 N TYR A 104 -16.403 4.686 1.095 1.00 24.40 N ATOM 1655 CA TYR A 104 -16.543 3.476 0.288 1.00 1.33 C ATOM 1656 C TYR A 104 -15.633 2.361 0.803 1.00 23.13 C ATOM 1657 O TYR A 104 -15.944 1.184 0.623 1.00 24.12 O ATOM 1658 CB TYR A 104 -16.246 3.777 -1.190 1.00 33.35 C ATOM 1659 CG TYR A 104 -16.924 2.829 -2.157 1.00 35.44 C ATOM 1660 CD1 TYR A 104 -18.326 2.813 -2.199 1.00 11.11 C ATOM 1661 CD2 TYR A 104 -16.192 1.999 -3.028 1.00 45.22 C ATOM 1662 CE1 TYR A 104 -19.008 1.967 -3.083 1.00 75.02 C ATOM 1663 CE2 TYR A 104 -16.866 1.155 -3.932 1.00 72.21 C ATOM 1664 CZ TYR A 104 -18.281 1.130 -3.956 1.00 4.22 C ATOM 1665 OH TYR A 104 -18.958 0.247 -4.739 1.00 73.20 O ATOM 0 H TYR A 104 -16.171 5.506 0.534 1.00 24.40 H new ATOM 0 HA TYR A 104 -17.574 3.133 0.372 1.00 1.33 H new ATOM 0 HB2 TYR A 104 -16.562 4.796 -1.414 1.00 33.35 H new ATOM 0 HB3 TYR A 104 -15.169 3.735 -1.350 1.00 33.35 H new ATOM 0 HD1 TYR A 104 -18.887 3.461 -1.542 1.00 11.11 H new ATOM 0 HD2 TYR A 104 -15.112 2.010 -3.003 1.00 45.22 H new ATOM 0 HE1 TYR A 104 -20.088 1.955 -3.096 1.00 75.02 H new ATOM 0 HE2 TYR A 104 -16.303 0.527 -4.607 1.00 72.21 H new ATOM 0 HH TYR A 104 -18.322 -0.259 -5.287 1.00 73.20 H new ATOM 1675 N ALA A 105 -14.503 2.710 1.434 1.00 11.32 N ATOM 1676 CA ALA A 105 -13.555 1.743 1.977 1.00 11.10 C ATOM 1677 C ALA A 105 -14.227 0.751 2.933 1.00 52.14 C ATOM 1678 O ALA A 105 -13.796 -0.402 3.002 1.00 54.04 O ATOM 1679 CB ALA A 105 -12.393 2.465 2.666 1.00 11.35 C ATOM 0 H ALA A 105 -14.225 3.680 1.580 1.00 11.32 H new ATOM 0 HA ALA A 105 -13.163 1.163 1.142 1.00 11.10 H new ATOM 0 HB1 ALA A 105 -11.694 1.730 3.066 1.00 11.35 H new ATOM 0 HB2 ALA A 105 -11.879 3.099 1.944 1.00 11.35 H new ATOM 0 HB3 ALA A 105 -12.778 3.080 3.479 1.00 11.35 H new ATOM 1685 N TYR A 106 -15.296 1.155 3.625 1.00 41.03 N ATOM 1686 CA TYR A 106 -16.008 0.283 4.548 1.00 21.01 C ATOM 1687 C TYR A 106 -16.475 -0.999 3.854 1.00 71.13 C ATOM 1688 O TYR A 106 -16.427 -2.074 4.450 1.00 11.34 O ATOM 1689 CB TYR A 106 -17.212 1.026 5.147 1.00 54.32 C ATOM 1690 CG TYR A 106 -18.538 0.735 4.466 1.00 35.35 C ATOM 1691 CD1 TYR A 106 -18.831 1.320 3.223 1.00 74.31 C ATOM 1692 CD2 TYR A 106 -19.435 -0.203 5.018 1.00 0.40 C ATOM 1693 CE1 TYR A 106 -20.073 1.098 2.620 1.00 0.01 C ATOM 1694 CE2 TYR A 106 -20.682 -0.439 4.410 1.00 71.32 C ATOM 1695 CZ TYR A 106 -21.019 0.245 3.220 1.00 1.52 C ATOM 1696 OH TYR A 106 -22.223 0.093 2.610 1.00 63.24 O ATOM 0 H TYR A 106 -15.687 2.095 3.558 1.00 41.03 H new ATOM 0 HA TYR A 106 -15.321 0.002 5.347 1.00 21.01 H new ATOM 0 HB2 TYR A 106 -17.295 0.764 6.202 1.00 54.32 H new ATOM 0 HB3 TYR A 106 -17.021 2.098 5.098 1.00 54.32 H new ATOM 0 HD1 TYR A 106 -18.097 1.942 2.733 1.00 74.31 H new ATOM 0 HD2 TYR A 106 -19.163 -0.743 5.913 1.00 0.40 H new ATOM 0 HE1 TYR A 106 -20.309 1.585 1.685 1.00 0.01 H new ATOM 0 HE2 TYR A 106 -21.377 -1.139 4.850 1.00 71.32 H new ATOM 0 HH TYR A 106 -22.778 -0.524 3.131 1.00 63.24 H new ATOM 1706 N GLN A 107 -16.892 -0.905 2.582 1.00 44.34 N ATOM 1707 CA GLN A 107 -17.377 -2.050 1.836 1.00 63.53 C ATOM 1708 C GLN A 107 -16.306 -3.125 1.742 1.00 60.22 C ATOM 1709 O GLN A 107 -16.627 -4.309 1.732 1.00 41.33 O ATOM 1710 CB GLN A 107 -17.820 -1.666 0.418 1.00 15.12 C ATOM 1711 CG GLN A 107 -19.272 -1.171 0.322 1.00 21.14 C ATOM 1712 CD GLN A 107 -19.888 -1.635 -0.991 1.00 3.11 C ATOM 1713 OE1 GLN A 107 -20.710 -2.549 -1.049 1.00 52.24 O ATOM 1714 NE2 GLN A 107 -19.385 -1.104 -2.088 1.00 63.31 N ATOM 0 H GLN A 107 -16.898 -0.032 2.054 1.00 44.34 H new ATOM 0 HA GLN A 107 -18.241 -2.433 2.379 1.00 63.53 H new ATOM 0 HB2 GLN A 107 -17.157 -0.887 0.041 1.00 15.12 H new ATOM 0 HB3 GLN A 107 -17.699 -2.531 -0.235 1.00 15.12 H new ATOM 0 HG2 GLN A 107 -19.853 -1.553 1.162 1.00 21.14 H new ATOM 0 HG3 GLN A 107 -19.300 -0.083 0.383 1.00 21.14 H new ATOM 0 HE21 GLN A 107 -18.705 -0.347 -2.023 1.00 63.31 H new ATOM 0 HE22 GLN A 107 -19.676 -1.450 -3.002 1.00 63.31 H new ATOM 1723 N ARG A 108 -15.049 -2.717 1.604 1.00 62.33 N ATOM 1724 CA ARG A 108 -13.912 -3.609 1.486 1.00 20.11 C ATOM 1725 C ARG A 108 -13.550 -4.211 2.841 1.00 71.55 C ATOM 1726 O ARG A 108 -13.077 -5.349 2.858 1.00 43.20 O ATOM 1727 CB ARG A 108 -12.739 -2.804 0.918 1.00 2.35 C ATOM 1728 CG ARG A 108 -13.028 -1.897 -0.297 1.00 63.32 C ATOM 1729 CD ARG A 108 -13.441 -2.652 -1.571 1.00 70.52 C ATOM 1730 NE ARG A 108 -12.368 -2.650 -2.583 1.00 5.13 N ATOM 1731 CZ ARG A 108 -12.422 -3.178 -3.812 1.00 2.21 C ATOM 1732 NH1 ARG A 108 -13.519 -3.791 -4.243 1.00 73.43 N ATOM 1733 NH2 ARG A 108 -11.366 -3.105 -4.609 1.00 72.30 N ATOM 0 H ARG A 108 -14.791 -1.731 1.571 1.00 62.33 H new ATOM 0 HA ARG A 108 -14.155 -4.438 0.821 1.00 20.11 H new ATOM 0 HB2 ARG A 108 -12.339 -2.180 1.717 1.00 2.35 H new ATOM 0 HB3 ARG A 108 -11.953 -3.505 0.637 1.00 2.35 H new ATOM 0 HG2 ARG A 108 -13.820 -1.197 -0.032 1.00 63.32 H new ATOM 0 HG3 ARG A 108 -12.138 -1.305 -0.513 1.00 63.32 H new ATOM 0 HD2 ARG A 108 -13.698 -3.680 -1.317 1.00 70.52 H new ATOM 0 HD3 ARG A 108 -14.337 -2.194 -1.990 1.00 70.52 H new ATOM 0 HE ARG A 108 -11.492 -2.199 -2.319 1.00 5.13 H new ATOM 0 HH11 ARG A 108 -14.335 -3.864 -3.635 1.00 73.43 H new ATOM 0 HH12 ARG A 108 -13.546 -4.189 -5.182 1.00 73.43 H new ATOM 0 HH21 ARG A 108 -10.514 -2.647 -4.286 1.00 72.30 H new ATOM 0 HH22 ARG A 108 -11.405 -3.507 -5.546 1.00 72.30 H new ATOM 1747 N TYR A 109 -13.744 -3.474 3.942 1.00 73.05 N ATOM 1748 CA TYR A 109 -13.462 -3.965 5.283 1.00 32.53 C ATOM 1749 C TYR A 109 -14.458 -5.081 5.533 1.00 55.11 C ATOM 1750 O TYR A 109 -14.052 -6.196 5.806 1.00 33.24 O ATOM 1751 CB TYR A 109 -13.583 -2.855 6.341 1.00 3.13 C ATOM 1752 CG TYR A 109 -13.251 -3.273 7.773 1.00 3.23 C ATOM 1753 CD1 TYR A 109 -14.133 -4.075 8.528 1.00 73.32 C ATOM 1754 CD2 TYR A 109 -12.056 -2.831 8.373 1.00 31.41 C ATOM 1755 CE1 TYR A 109 -13.797 -4.472 9.838 1.00 4.32 C ATOM 1756 CE2 TYR A 109 -11.736 -3.195 9.694 1.00 41.12 C ATOM 1757 CZ TYR A 109 -12.591 -4.042 10.428 1.00 45.42 C ATOM 1758 OH TYR A 109 -12.289 -4.365 11.717 1.00 43.44 O ATOM 0 H TYR A 109 -14.102 -2.519 3.920 1.00 73.05 H new ATOM 0 HA TYR A 109 -12.435 -4.322 5.359 1.00 32.53 H new ATOM 0 HB2 TYR A 109 -12.924 -2.034 6.058 1.00 3.13 H new ATOM 0 HB3 TYR A 109 -14.602 -2.467 6.321 1.00 3.13 H new ATOM 0 HD1 TYR A 109 -15.073 -4.387 8.098 1.00 73.32 H new ATOM 0 HD2 TYR A 109 -11.377 -2.205 7.813 1.00 31.41 H new ATOM 0 HE1 TYR A 109 -14.468 -5.110 10.394 1.00 4.32 H new ATOM 0 HE2 TYR A 109 -10.830 -2.823 10.148 1.00 41.12 H new ATOM 0 HH TYR A 109 -11.418 -3.984 11.954 1.00 43.44 H new ATOM 1768 N GLN A 110 -15.749 -4.820 5.340 1.00 72.25 N ATOM 1769 CA GLN A 110 -16.805 -5.796 5.553 1.00 22.44 C ATOM 1770 C GLN A 110 -16.727 -7.022 4.633 1.00 24.55 C ATOM 1771 O GLN A 110 -17.373 -8.026 4.918 1.00 23.24 O ATOM 1772 CB GLN A 110 -18.197 -5.161 5.619 1.00 12.30 C ATOM 1773 CG GLN A 110 -18.714 -4.705 4.257 1.00 30.32 C ATOM 1774 CD GLN A 110 -20.119 -4.119 4.290 1.00 23.12 C ATOM 1775 OE1 GLN A 110 -20.745 -3.957 5.335 1.00 63.32 O ATOM 1776 NE2 GLN A 110 -20.631 -3.790 3.115 1.00 21.53 N ATOM 0 H GLN A 110 -16.091 -3.911 5.027 1.00 72.25 H new ATOM 0 HA GLN A 110 -16.619 -6.202 6.547 1.00 22.44 H new ATOM 0 HB2 GLN A 110 -18.897 -5.880 6.045 1.00 12.30 H new ATOM 0 HB3 GLN A 110 -18.168 -4.306 6.294 1.00 12.30 H new ATOM 0 HG2 GLN A 110 -18.030 -3.959 3.852 1.00 30.32 H new ATOM 0 HG3 GLN A 110 -18.702 -5.554 3.573 1.00 30.32 H new ATOM 0 HE21 GLN A 110 -20.089 -3.936 2.264 1.00 21.53 H new ATOM 0 HE22 GLN A 110 -21.568 -3.391 3.061 1.00 21.53 H new ATOM 1785 N GLU A 111 -16.147 -6.888 3.435 1.00 63.34 N ATOM 1786 CA GLU A 111 -16.025 -7.995 2.485 1.00 35.40 C ATOM 1787 C GLU A 111 -15.263 -9.129 3.162 1.00 15.22 C ATOM 1788 O GLU A 111 -15.599 -10.287 2.944 1.00 72.21 O ATOM 1789 CB GLU A 111 -15.358 -7.572 1.148 1.00 45.04 C ATOM 1790 CG GLU A 111 -16.323 -6.918 0.129 1.00 3.23 C ATOM 1791 CD GLU A 111 -16.510 -7.601 -1.245 1.00 42.32 C ATOM 1792 OE1 GLU A 111 -15.902 -8.654 -1.531 1.00 13.14 O ATOM 1793 OE2 GLU A 111 -17.238 -6.989 -2.066 1.00 75.23 O ATOM 0 H GLU A 111 -15.750 -6.010 3.099 1.00 63.34 H new ATOM 0 HA GLU A 111 -17.025 -8.332 2.211 1.00 35.40 H new ATOM 0 HB2 GLU A 111 -14.550 -6.873 1.365 1.00 45.04 H new ATOM 0 HB3 GLU A 111 -14.905 -8.450 0.688 1.00 45.04 H new ATOM 0 HG2 GLU A 111 -17.303 -6.844 0.600 1.00 3.23 H new ATOM 0 HG3 GLU A 111 -15.978 -5.900 -0.050 1.00 3.23 H new ATOM 1800 N ARG A 112 -14.189 -8.822 3.894 1.00 21.12 N ATOM 1801 CA ARG A 112 -13.427 -9.861 4.586 1.00 52.15 C ATOM 1802 C ARG A 112 -13.638 -9.866 6.080 1.00 24.33 C ATOM 1803 O ARG A 112 -14.037 -10.862 6.665 1.00 71.03 O ATOM 1804 CB ARG A 112 -11.978 -9.740 4.175 1.00 41.55 C ATOM 1805 CG ARG A 112 -11.775 -10.490 2.852 1.00 32.15 C ATOM 1806 CD ARG A 112 -10.380 -10.118 2.360 1.00 35.21 C ATOM 1807 NE ARG A 112 -10.343 -8.687 2.009 1.00 33.33 N ATOM 1808 CZ ARG A 112 -11.053 -8.221 0.982 1.00 1.11 C ATOM 1809 NH1 ARG A 112 -11.780 -7.113 1.065 1.00 72.25 N ATOM 1810 NH2 ARG A 112 -11.117 -8.919 -0.135 1.00 65.21 N ATOM 0 H ARG A 112 -13.832 -7.875 4.021 1.00 21.12 H new ATOM 0 HA ARG A 112 -13.798 -10.840 4.281 1.00 52.15 H new ATOM 0 HB2 ARG A 112 -11.705 -8.691 4.060 1.00 41.55 H new ATOM 0 HB3 ARG A 112 -11.331 -10.155 4.947 1.00 41.55 H new ATOM 0 HG2 ARG A 112 -11.862 -11.567 2.998 1.00 32.15 H new ATOM 0 HG3 ARG A 112 -12.533 -10.205 2.123 1.00 32.15 H new ATOM 0 HD2 ARG A 112 -9.642 -10.332 3.133 1.00 35.21 H new ATOM 0 HD3 ARG A 112 -10.117 -10.722 1.492 1.00 35.21 H new ATOM 0 HE ARG A 112 -9.768 -8.047 2.557 1.00 33.33 H new ATOM 0 HH11 ARG A 112 -11.809 -6.586 1.938 1.00 72.25 H new ATOM 0 HH12 ARG A 112 -12.310 -6.789 0.256 1.00 72.25 H new ATOM 0 HH21 ARG A 112 -10.625 -9.809 -0.209 1.00 65.21 H new ATOM 0 HH22 ARG A 112 -11.659 -8.568 -0.925 1.00 65.21 H new ATOM 1824 N TYR A 113 -13.522 -8.696 6.675 1.00 41.14 N ATOM 1825 CA TYR A 113 -13.628 -8.438 8.092 1.00 13.31 C ATOM 1826 C TYR A 113 -15.076 -8.130 8.488 1.00 33.01 C ATOM 1827 O TYR A 113 -15.325 -7.359 9.412 1.00 50.21 O ATOM 1828 CB TYR A 113 -12.621 -7.327 8.431 1.00 12.54 C ATOM 1829 CG TYR A 113 -11.277 -7.459 7.725 1.00 60.15 C ATOM 1830 CD1 TYR A 113 -10.764 -6.423 6.912 1.00 0.13 C ATOM 1831 CD2 TYR A 113 -10.569 -8.665 7.844 1.00 3.33 C ATOM 1832 CE1 TYR A 113 -9.526 -6.577 6.250 1.00 74.32 C ATOM 1833 CE2 TYR A 113 -9.358 -8.846 7.162 1.00 23.55 C ATOM 1834 CZ TYR A 113 -8.828 -7.800 6.374 1.00 31.15 C ATOM 1835 OH TYR A 113 -7.648 -7.970 5.720 1.00 43.10 O ATOM 0 H TYR A 113 -13.339 -7.845 6.143 1.00 41.14 H new ATOM 0 HA TYR A 113 -13.373 -9.317 8.684 1.00 13.31 H new ATOM 0 HB2 TYR A 113 -13.061 -6.364 8.172 1.00 12.54 H new ATOM 0 HB3 TYR A 113 -12.453 -7.322 9.508 1.00 12.54 H new ATOM 0 HD1 TYR A 113 -11.323 -5.506 6.796 1.00 0.13 H new ATOM 0 HD2 TYR A 113 -10.960 -9.458 8.465 1.00 3.33 H new ATOM 0 HE1 TYR A 113 -9.118 -5.772 5.657 1.00 74.32 H new ATOM 0 HE2 TYR A 113 -8.830 -9.785 7.239 1.00 23.55 H new ATOM 0 HH TYR A 113 -7.295 -8.864 5.910 1.00 43.10 H new ATOM 1845 N GLY A 114 -16.053 -8.652 7.738 1.00 1.32 N ATOM 1846 CA GLY A 114 -17.479 -8.486 7.979 1.00 20.31 C ATOM 1847 C GLY A 114 -18.239 -9.711 7.478 1.00 62.03 C ATOM 1848 O GLY A 114 -17.670 -10.800 7.431 1.00 11.12 O ATOM 0 H GLY A 114 -15.858 -9.223 6.916 1.00 1.32 H new ATOM 0 HA2 GLY A 114 -17.662 -8.345 9.044 1.00 20.31 H new ATOM 0 HA3 GLY A 114 -17.840 -7.591 7.472 1.00 20.31 H new ATOM 1852 N ASN A 115 -19.534 -9.560 7.185 1.00 71.21 N ATOM 1853 CA ASN A 115 -20.402 -10.634 6.705 1.00 61.32 C ATOM 1854 C ASN A 115 -21.369 -10.035 5.690 1.00 4.14 C ATOM 1855 O ASN A 115 -22.380 -9.456 6.082 1.00 45.51 O ATOM 1856 CB ASN A 115 -21.151 -11.262 7.896 1.00 53.11 C ATOM 1857 CG ASN A 115 -22.152 -12.335 7.482 1.00 4.13 C ATOM 1858 OD1 ASN A 115 -21.760 -13.429 7.098 1.00 45.23 O ATOM 1859 ND2 ASN A 115 -23.447 -12.076 7.597 1.00 62.52 N ATOM 0 H ASN A 115 -20.017 -8.666 7.278 1.00 71.21 H new ATOM 0 HA ASN A 115 -19.824 -11.425 6.227 1.00 61.32 H new ATOM 0 HB2 ASN A 115 -20.426 -11.698 8.583 1.00 53.11 H new ATOM 0 HB3 ASN A 115 -21.675 -10.477 8.441 1.00 53.11 H new ATOM 0 HD21 ASN A 115 -24.133 -12.794 7.364 1.00 62.52 H new ATOM 0 HD22 ASN A 115 -23.757 -11.159 7.919 1.00 62.52 H new ATOM 1866 N LYS A 116 -21.057 -10.099 4.393 1.00 32.21 N ATOM 1867 CA LYS A 116 -21.919 -9.558 3.342 1.00 2.32 C ATOM 1868 C LYS A 116 -22.045 -10.604 2.255 1.00 21.25 C ATOM 1869 O LYS A 116 -21.080 -11.298 1.936 1.00 2.55 O ATOM 1870 CB LYS A 116 -21.365 -8.216 2.806 1.00 31.32 C ATOM 1871 CG LYS A 116 -22.457 -7.151 2.586 1.00 54.31 C ATOM 1872 CD LYS A 116 -23.110 -7.111 1.194 1.00 64.24 C ATOM 1873 CE LYS A 116 -24.471 -6.395 1.259 1.00 74.44 C ATOM 1874 NZ LYS A 116 -25.420 -6.909 0.248 1.00 12.14 N ATOM 0 H LYS A 116 -20.200 -10.527 4.043 1.00 32.21 H new ATOM 0 HA LYS A 116 -22.910 -9.336 3.739 1.00 2.32 H new ATOM 0 HB2 LYS A 116 -20.626 -7.829 3.508 1.00 31.32 H new ATOM 0 HB3 LYS A 116 -20.847 -8.395 1.864 1.00 31.32 H new ATOM 0 HG2 LYS A 116 -23.242 -7.310 3.326 1.00 54.31 H new ATOM 0 HG3 LYS A 116 -22.023 -6.172 2.787 1.00 54.31 H new ATOM 0 HD2 LYS A 116 -22.454 -6.595 0.493 1.00 64.24 H new ATOM 0 HD3 LYS A 116 -23.243 -8.126 0.819 1.00 64.24 H new ATOM 0 HE2 LYS A 116 -24.899 -6.521 2.254 1.00 74.44 H new ATOM 0 HE3 LYS A 116 -24.325 -5.326 1.107 1.00 74.44 H new ATOM 0 HZ1 LYS A 116 -26.323 -6.399 0.328 1.00 12.14 H new ATOM 0 HZ2 LYS A 116 -25.025 -6.766 -0.703 1.00 12.14 H new ATOM 0 HZ3 LYS A 116 -25.581 -7.924 0.407 1.00 12.14 H new ATOM 1888 N LYS A 117 -23.245 -10.697 1.693 1.00 51.25 N ATOM 1889 CA LYS A 117 -23.576 -11.639 0.640 1.00 60.33 C ATOM 1890 C LYS A 117 -22.788 -11.350 -0.633 1.00 43.30 C ATOM 1891 O LYS A 117 -22.441 -10.192 -0.906 1.00 15.10 O ATOM 1892 CB LYS A 117 -25.097 -11.579 0.400 1.00 23.41 C ATOM 1893 CG LYS A 117 -25.594 -12.773 -0.439 1.00 72.43 C ATOM 1894 CD LYS A 117 -26.926 -13.358 0.065 1.00 33.14 C ATOM 1895 CE LYS A 117 -27.110 -14.789 -0.446 1.00 34.41 C ATOM 1896 NZ LYS A 117 -28.313 -15.459 0.100 1.00 2.44 N ATOM 0 H LYS A 117 -24.029 -10.105 1.966 1.00 51.25 H new ATOM 0 HA LYS A 117 -23.298 -12.648 0.945 1.00 60.33 H new ATOM 0 HB2 LYS A 117 -25.616 -11.568 1.359 1.00 23.41 H new ATOM 0 HB3 LYS A 117 -25.348 -10.648 -0.109 1.00 23.41 H new ATOM 0 HG2 LYS A 117 -25.713 -12.456 -1.475 1.00 72.43 H new ATOM 0 HG3 LYS A 117 -24.835 -13.555 -0.430 1.00 72.43 H new ATOM 0 HD2 LYS A 117 -26.945 -13.349 1.155 1.00 33.14 H new ATOM 0 HD3 LYS A 117 -27.754 -12.735 -0.273 1.00 33.14 H new ATOM 0 HE2 LYS A 117 -27.175 -14.773 -1.534 1.00 34.41 H new ATOM 0 HE3 LYS A 117 -26.228 -15.375 -0.188 1.00 34.41 H new ATOM 0 HZ1 LYS A 117 -28.379 -16.423 -0.285 1.00 2.44 H new ATOM 0 HZ2 LYS A 117 -28.245 -15.504 1.137 1.00 2.44 H new ATOM 0 HZ3 LYS A 117 -29.162 -14.921 -0.168 1.00 2.44 H new ATOM 1910 N SER A 118 -22.515 -12.394 -1.412 1.00 13.11 N ATOM 1911 CA SER A 118 -21.810 -12.269 -2.668 1.00 74.42 C ATOM 1912 C SER A 118 -22.886 -11.978 -3.700 1.00 52.15 C ATOM 1913 O SER A 118 -23.930 -12.644 -3.759 1.00 3.12 O ATOM 1914 CB SER A 118 -21.004 -13.523 -3.020 1.00 71.30 C ATOM 1915 OG SER A 118 -19.928 -13.182 -3.875 1.00 32.10 O ATOM 0 H SER A 118 -22.781 -13.351 -1.181 1.00 13.11 H new ATOM 0 HA SER A 118 -21.065 -11.475 -2.623 1.00 74.42 H new ATOM 0 HB2 SER A 118 -20.624 -13.988 -2.111 1.00 71.30 H new ATOM 0 HB3 SER A 118 -21.648 -14.255 -3.507 1.00 71.30 H new ATOM 0 HG SER A 118 -19.416 -13.988 -4.094 1.00 32.10 H new ATOM 1921 N GLN A 119 -22.673 -10.884 -4.411 1.00 34.40 N ATOM 1922 CA GLN A 119 -23.538 -10.423 -5.461 1.00 50.23 C ATOM 1923 C GLN A 119 -23.278 -11.273 -6.697 1.00 35.31 C ATOM 1924 O GLN A 119 -22.293 -12.011 -6.787 1.00 34.54 O ATOM 1925 CB GLN A 119 -23.167 -8.966 -5.737 1.00 64.12 C ATOM 1926 CG GLN A 119 -24.289 -8.140 -6.375 1.00 73.22 C ATOM 1927 CD GLN A 119 -23.858 -6.678 -6.485 1.00 31.23 C ATOM 1928 OE1 GLN A 119 -23.031 -6.190 -5.716 1.00 43.22 O ATOM 1929 NE2 GLN A 119 -24.483 -5.889 -7.334 1.00 40.42 N ATOM 0 H GLN A 119 -21.865 -10.279 -4.261 1.00 34.40 H new ATOM 0 HA GLN A 119 -24.591 -10.500 -5.190 1.00 50.23 H new ATOM 0 HB2 GLN A 119 -22.872 -8.494 -4.799 1.00 64.12 H new ATOM 0 HB3 GLN A 119 -22.297 -8.943 -6.393 1.00 64.12 H new ATOM 0 HG2 GLN A 119 -24.526 -8.534 -7.363 1.00 73.22 H new ATOM 0 HG3 GLN A 119 -25.196 -8.217 -5.775 1.00 73.22 H new ATOM 0 HE21 GLN A 119 -25.172 -6.277 -7.979 1.00 40.42 H new ATOM 0 HE22 GLN A 119 -24.278 -4.890 -7.347 1.00 40.42 H new ATOM 1938 N ASP A 120 -24.172 -11.103 -7.651 1.00 11.32 N ATOM 1939 CA ASP A 120 -24.167 -11.729 -8.952 1.00 35.13 C ATOM 1940 C ASP A 120 -22.990 -11.105 -9.713 1.00 13.23 C ATOM 1941 O ASP A 120 -22.173 -10.341 -9.172 1.00 50.14 O ATOM 1942 CB ASP A 120 -25.491 -11.370 -9.646 1.00 14.43 C ATOM 1943 CG ASP A 120 -26.732 -12.027 -9.025 1.00 60.34 C ATOM 1944 OD1 ASP A 120 -26.878 -11.979 -7.774 1.00 1.12 O ATOM 1945 OD2 ASP A 120 -27.547 -12.554 -9.821 1.00 40.52 O ATOM 0 H ASP A 120 -24.972 -10.483 -7.526 1.00 11.32 H new ATOM 0 HA ASP A 120 -24.069 -12.814 -8.905 1.00 35.13 H new ATOM 0 HB2 ASP A 120 -25.618 -10.288 -9.622 1.00 14.43 H new ATOM 0 HB3 ASP A 120 -25.428 -11.660 -10.695 1.00 14.43 H new ATOM 1950 N LEU A 121 -22.850 -11.445 -10.986 1.00 64.02 N ATOM 1951 CA LEU A 121 -21.801 -10.864 -11.809 1.00 33.14 C ATOM 1952 C LEU A 121 -22.059 -9.350 -11.972 1.00 71.21 C ATOM 1953 O LEU A 121 -23.025 -8.785 -11.454 1.00 51.30 O ATOM 1954 CB LEU A 121 -21.748 -11.580 -13.165 1.00 52.13 C ATOM 1955 CG LEU A 121 -23.095 -11.479 -13.924 1.00 42.41 C ATOM 1956 CD1 LEU A 121 -22.897 -11.095 -15.387 1.00 22.34 C ATOM 1957 CD2 LEU A 121 -23.850 -12.806 -13.849 1.00 64.21 C ATOM 0 H LEU A 121 -23.447 -12.117 -11.469 1.00 64.02 H new ATOM 0 HA LEU A 121 -20.831 -10.994 -11.328 1.00 33.14 H new ATOM 0 HB2 LEU A 121 -20.955 -11.146 -13.774 1.00 52.13 H new ATOM 0 HB3 LEU A 121 -21.495 -12.629 -13.012 1.00 52.13 H new ATOM 0 HG LEU A 121 -23.677 -10.694 -13.440 1.00 42.41 H new ATOM 0 HD11 LEU A 121 -23.866 -11.035 -15.882 1.00 22.34 H new ATOM 0 HD12 LEU A 121 -22.400 -10.127 -15.445 1.00 22.34 H new ATOM 0 HD13 LEU A 121 -22.283 -11.848 -15.881 1.00 22.34 H new ATOM 0 HD21 LEU A 121 -24.794 -12.718 -14.387 1.00 64.21 H new ATOM 0 HD22 LEU A 121 -23.247 -13.594 -14.300 1.00 64.21 H new ATOM 0 HD23 LEU A 121 -24.048 -13.053 -12.806 1.00 64.21 H new ATOM 1969 N LYS A 122 -21.133 -8.695 -12.664 1.00 64.31 N ATOM 1970 CA LYS A 122 -21.126 -7.271 -12.983 1.00 41.12 C ATOM 1971 C LYS A 122 -22.478 -6.826 -13.507 1.00 51.21 C ATOM 1972 O LYS A 122 -23.053 -5.890 -12.906 1.00 43.44 O ATOM 1973 CB LYS A 122 -20.001 -6.972 -13.987 1.00 52.01 C ATOM 1974 CG LYS A 122 -20.062 -7.840 -15.265 1.00 52.12 C ATOM 1975 CD LYS A 122 -18.719 -8.320 -15.815 1.00 1.12 C ATOM 1976 CE LYS A 122 -17.772 -7.170 -16.157 1.00 63.32 C ATOM 1977 NZ LYS A 122 -16.911 -6.828 -15.008 1.00 34.02 N ATOM 0 H LYS A 122 -20.315 -9.174 -13.041 1.00 64.31 H new ATOM 0 HA LYS A 122 -20.934 -6.702 -12.073 1.00 41.12 H new ATOM 0 HB2 LYS A 122 -20.049 -5.920 -14.270 1.00 52.01 H new ATOM 0 HB3 LYS A 122 -19.039 -7.127 -13.498 1.00 52.01 H new ATOM 0 HG2 LYS A 122 -20.680 -8.714 -15.058 1.00 52.12 H new ATOM 0 HG3 LYS A 122 -20.568 -7.269 -16.044 1.00 52.12 H new ATOM 0 HD2 LYS A 122 -18.243 -8.970 -15.081 1.00 1.12 H new ATOM 0 HD3 LYS A 122 -18.891 -8.920 -16.708 1.00 1.12 H new ATOM 0 HE2 LYS A 122 -17.152 -7.447 -17.010 1.00 63.32 H new ATOM 0 HE3 LYS A 122 -18.350 -6.295 -16.454 1.00 63.32 H new ATOM 0 HZ1 LYS A 122 -16.001 -6.461 -15.353 1.00 34.02 H new ATOM 0 HZ2 LYS A 122 -17.379 -6.103 -14.427 1.00 34.02 H new ATOM 0 HZ3 LYS A 122 -16.745 -7.679 -14.433 1.00 34.02 H new TER 1991 LYS A 122