USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 914 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 NoAdj-H: A 5 GLU H : A 5 GLU N : A 4 GLU OE1 :(H bumps) USER MOD Set 1.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0651 X(o=-0.065,f=-0.0049) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -34:sc= 0.768 USER MOD Single : A 16 ASN : amide:sc= -0.305 K(o=-0.31,f=-2.3!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0531 X(o=-0.053,f=-0.23) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -40:sc= -2.54! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 59:sc= 0.0879 USER MOD Single : A 68 THR OG1 : rot 110:sc= -2.77! USER MOD Single : A 71 SER OG : rot -42:sc= 1.05 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -125:sc= -0.575! USER MOD Single : A 82 TYR OH : rot 180:sc= -2.21! USER MOD Single : A 84 THR OG1 : rot -64:sc= 1.1 USER MOD Single : A 86 LYS NZ :NH3+ -131:sc=-0.00418 (180deg=-0.299) USER MOD Single : A 90 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.4) USER MOD Single : A 93 THR OG1 : rot 40:sc= 0.0443! USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 172:sc= -4.04! USER MOD Single : A 100 THR OG1 : rot -54:sc= 0.183! USER MOD Single : A 110 ASN : amide:sc= -0.0108 K(o=-0.011,f=-1.5!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -160:sc= -0.586 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -12.210 -0.828 14.980 1.00 7.08 N ATOM 2 CA ASP A 1 -11.697 -1.703 13.886 1.00 6.65 C ATOM 3 C ASP A 1 -10.349 -1.180 13.381 1.00 5.96 C ATOM 4 O ASP A 1 -10.284 -0.368 12.478 1.00 6.16 O ATOM 5 CB ASP A 1 -12.754 -1.620 12.784 1.00 7.15 C ATOM 6 CG ASP A 1 -12.226 -0.751 11.639 1.00 7.15 C ATOM 7 OD1 ASP A 1 -11.025 -0.746 11.431 1.00 7.22 O ATOM 8 OD2 ASP A 1 -13.034 -0.105 10.991 1.00 7.37 O ATOM 0 H1 ASP A 1 -13.125 -1.192 15.315 1.00 7.08 H new ATOM 0 H2 ASP A 1 -11.530 -0.822 15.767 1.00 7.08 H new ATOM 0 H3 ASP A 1 -12.333 0.140 14.621 1.00 7.08 H new ATOM 0 HA ASP A 1 -11.535 -2.729 14.217 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -12.993 -2.618 12.418 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -13.677 -1.197 13.181 1.00 7.15 H new ATOM 15 N ALA A 2 -9.272 -1.639 13.958 1.00 5.41 N ATOM 16 CA ALA A 2 -7.925 -1.171 13.516 1.00 4.78 C ATOM 17 C ALA A 2 -7.869 0.362 13.509 1.00 3.77 C ATOM 18 O ALA A 2 -8.042 0.980 12.477 1.00 3.42 O ATOM 19 CB ALA A 2 -7.760 -1.721 12.099 1.00 5.00 C ATOM 0 H ALA A 2 -9.266 -2.319 14.718 1.00 5.41 H new ATOM 0 HA ALA A 2 -7.132 -1.512 14.181 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -6.791 -1.419 11.702 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -7.820 -2.809 12.122 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -8.552 -1.327 11.461 1.00 5.00 H new ATOM 25 N PRO A 3 -7.635 0.931 14.667 1.00 3.56 N ATOM 26 CA PRO A 3 -7.565 2.402 14.786 1.00 2.78 C ATOM 27 C PRO A 3 -6.165 2.904 14.416 1.00 2.04 C ATOM 28 O PRO A 3 -5.271 2.922 15.237 1.00 2.31 O ATOM 29 CB PRO A 3 -7.856 2.650 16.261 1.00 3.38 C ATOM 30 CG PRO A 3 -7.460 1.389 16.972 1.00 4.09 C ATOM 31 CD PRO A 3 -7.425 0.266 15.961 1.00 4.30 C ATOM 0 HA PRO A 3 -8.258 2.920 14.123 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -7.290 3.504 16.633 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -8.911 2.874 16.419 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -6.483 1.508 17.441 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -8.170 1.162 17.767 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -6.472 -0.262 15.986 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -8.203 -0.471 16.159 1.00 4.30 H new ATOM 39 N GLU A 4 -5.980 3.319 13.186 1.00 1.37 N ATOM 40 CA GLU A 4 -4.647 3.835 12.735 1.00 1.14 C ATOM 41 C GLU A 4 -3.554 2.770 12.894 1.00 0.89 C ATOM 42 O GLU A 4 -3.446 2.120 13.912 1.00 1.30 O ATOM 43 CB GLU A 4 -4.358 5.048 13.622 1.00 1.67 C ATOM 44 CG GLU A 4 -3.046 5.701 13.180 1.00 2.39 C ATOM 45 CD GLU A 4 -2.117 4.633 12.600 1.00 2.65 C ATOM 46 OE1 GLU A 4 -2.544 3.929 11.700 1.00 3.09 O ATOM 47 OE2 GLU A 4 -0.993 4.537 13.066 1.00 3.05 O ATOM 0 H GLU A 4 -6.703 3.323 12.467 1.00 1.37 H new ATOM 0 HA GLU A 4 -4.660 4.099 11.678 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -5.175 5.766 13.553 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -4.291 4.741 14.666 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -3.243 6.471 12.434 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -2.568 6.193 14.027 1.00 2.39 H new ATOM 54 N GLU A 5 -2.739 2.604 11.881 1.00 1.00 N ATOM 55 CA GLU A 5 -1.631 1.596 11.933 1.00 0.81 C ATOM 56 C GLU A 5 -2.176 0.181 12.166 1.00 0.87 C ATOM 57 O GLU A 5 -2.928 -0.068 13.086 1.00 1.15 O ATOM 58 CB GLU A 5 -0.732 2.031 13.094 1.00 0.95 C ATOM 59 CG GLU A 5 -0.185 3.434 12.817 1.00 1.46 C ATOM 60 CD GLU A 5 -0.323 3.752 11.328 1.00 1.82 C ATOM 61 OE1 GLU A 5 -1.380 3.484 10.780 1.00 2.50 O ATOM 62 OE2 GLU A 5 0.630 4.259 10.760 1.00 2.19 O ATOM 0 HA GLU A 5 -1.085 1.559 10.991 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -1.296 2.026 14.027 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.090 1.326 13.216 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -0.728 4.171 13.409 1.00 1.46 H new ATOM 0 HG3 GLU A 5 0.861 3.493 13.117 1.00 1.46 H new ATOM 69 N GLU A 6 -1.793 -0.753 11.335 1.00 0.79 N ATOM 70 CA GLU A 6 -2.282 -2.152 11.506 1.00 1.04 C ATOM 71 C GLU A 6 -1.097 -3.121 11.611 1.00 1.10 C ATOM 72 O GLU A 6 -0.299 -3.243 10.702 1.00 1.76 O ATOM 73 CB GLU A 6 -3.104 -2.439 10.250 1.00 1.28 C ATOM 74 CG GLU A 6 -4.591 -2.237 10.557 1.00 1.68 C ATOM 75 CD GLU A 6 -5.428 -2.710 9.368 1.00 1.97 C ATOM 76 OE1 GLU A 6 -5.514 -1.973 8.399 1.00 2.63 O ATOM 77 OE2 GLU A 6 -5.972 -3.799 9.447 1.00 2.24 O ATOM 0 H GLU A 6 -1.163 -0.607 10.546 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.871 -2.276 12.415 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.795 -1.777 9.441 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -2.927 -3.460 9.912 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.867 -2.793 11.453 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.791 -1.185 10.760 1.00 1.68 H new ATOM 84 N ASP A 7 -0.980 -3.810 12.715 1.00 1.27 N ATOM 85 CA ASP A 7 0.149 -4.773 12.889 1.00 1.35 C ATOM 86 C ASP A 7 1.491 -4.100 12.564 1.00 1.28 C ATOM 87 O ASP A 7 2.105 -3.490 13.417 1.00 2.01 O ATOM 88 CB ASP A 7 -0.150 -5.916 11.915 1.00 1.53 C ATOM 89 CG ASP A 7 0.869 -5.893 10.775 1.00 1.92 C ATOM 90 OD1 ASP A 7 0.704 -5.087 9.874 1.00 2.57 O ATOM 91 OD2 ASP A 7 1.799 -6.682 10.823 1.00 2.36 O ATOM 0 H ASP A 7 -1.620 -3.748 13.507 1.00 1.27 H new ATOM 0 HA ASP A 7 0.231 -5.131 13.915 1.00 1.35 H new ATOM 0 HB2 ASP A 7 -0.108 -6.873 12.436 1.00 1.53 H new ATOM 0 HB3 ASP A 7 -1.160 -5.814 11.517 1.00 1.53 H new ATOM 96 N HIS A 8 1.957 -4.197 11.343 1.00 1.21 N ATOM 97 CA HIS A 8 3.258 -3.557 10.989 1.00 1.11 C ATOM 98 C HIS A 8 3.080 -2.587 9.814 1.00 0.81 C ATOM 99 O HIS A 8 4.013 -1.928 9.399 1.00 0.87 O ATOM 100 CB HIS A 8 4.174 -4.715 10.593 1.00 1.32 C ATOM 101 CG HIS A 8 5.104 -5.034 11.732 1.00 1.61 C ATOM 102 ND1 HIS A 8 4.654 -5.583 12.923 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.462 -4.891 11.874 1.00 2.02 C ATOM 104 CE1 HIS A 8 5.724 -5.748 13.723 1.00 2.53 C ATOM 105 NE2 HIS A 8 6.851 -5.342 13.131 1.00 2.33 N ATOM 0 H HIS A 8 1.493 -4.690 10.580 1.00 1.21 H new ATOM 0 HA HIS A 8 3.666 -2.976 11.816 1.00 1.11 H new ATOM 0 HB2 HIS A 8 3.579 -5.592 10.339 1.00 1.32 H new ATOM 0 HB3 HIS A 8 4.748 -4.451 9.705 1.00 1.32 H new ATOM 0 HD2 HIS A 8 7.127 -4.489 11.124 1.00 2.02 H new ATOM 0 HE1 HIS A 8 5.677 -6.158 14.721 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.795 -5.359 13.518 1.00 2.33 H new ATOM 113 N VAL A 9 1.892 -2.486 9.275 1.00 0.69 N ATOM 114 CA VAL A 9 1.668 -1.553 8.137 1.00 0.49 C ATOM 115 C VAL A 9 0.636 -0.502 8.536 1.00 0.41 C ATOM 116 O VAL A 9 -0.012 -0.615 9.556 1.00 0.54 O ATOM 117 CB VAL A 9 1.135 -2.428 7.003 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.768 -1.548 5.807 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.211 -3.432 6.586 1.00 0.89 C ATOM 0 H VAL A 9 1.070 -3.010 9.575 1.00 0.69 H new ATOM 0 HA VAL A 9 2.574 -1.024 7.843 1.00 0.49 H new ATOM 0 HB VAL A 9 0.249 -2.964 7.344 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.388 -2.173 4.999 1.00 0.88 H new ATOM 0 HG12 VAL A 9 0.001 -0.832 6.104 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.653 -1.011 5.465 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.832 -4.057 5.777 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.097 -2.896 6.246 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.472 -4.060 7.438 1.00 0.89 H new ATOM 129 N LEU A 10 0.473 0.522 7.747 1.00 0.41 N ATOM 130 CA LEU A 10 -0.523 1.570 8.102 1.00 0.54 C ATOM 131 C LEU A 10 -1.912 1.177 7.631 1.00 0.42 C ATOM 132 O LEU A 10 -2.157 0.077 7.178 1.00 0.59 O ATOM 133 CB LEU A 10 -0.072 2.833 7.377 1.00 0.83 C ATOM 134 CG LEU A 10 -0.288 4.044 8.288 1.00 0.96 C ATOM 135 CD1 LEU A 10 1.038 4.428 8.946 1.00 1.49 C ATOM 136 CD2 LEU A 10 -0.807 5.220 7.458 1.00 1.30 C ATOM 0 H LEU A 10 0.982 0.678 6.877 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.576 1.712 9.181 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.980 2.753 7.103 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.634 2.955 6.451 1.00 0.83 H new ATOM 0 HG LEU A 10 -1.017 3.795 9.059 1.00 0.96 H new ATOM 0 HD11 LEU A 10 0.886 5.290 9.595 1.00 1.49 H new ATOM 0 HD12 LEU A 10 1.407 3.590 9.537 1.00 1.49 H new ATOM 0 HD13 LEU A 10 1.767 4.678 8.176 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -0.961 6.083 8.106 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -0.078 5.471 6.687 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -1.752 4.945 6.989 1.00 1.30 H new ATOM 148 N VAL A 11 -2.815 2.095 7.734 1.00 0.54 N ATOM 149 CA VAL A 11 -4.215 1.837 7.296 1.00 0.46 C ATOM 150 C VAL A 11 -4.803 3.111 6.687 1.00 0.43 C ATOM 151 O VAL A 11 -4.489 4.209 7.105 1.00 0.54 O ATOM 152 CB VAL A 11 -4.970 1.439 8.566 1.00 0.61 C ATOM 153 CG1 VAL A 11 -4.805 2.528 9.627 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.455 1.265 8.242 1.00 1.04 C ATOM 0 H VAL A 11 -2.648 3.029 8.108 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.280 1.057 6.537 1.00 0.46 H new ATOM 0 HB VAL A 11 -4.566 0.501 8.946 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -5.344 2.241 10.530 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -3.747 2.652 9.860 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -5.206 3.468 9.249 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -6.994 0.981 9.146 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -6.856 2.204 7.860 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.574 0.486 7.489 1.00 1.04 H new ATOM 164 N LEU A 12 -5.640 2.982 5.695 1.00 0.40 N ATOM 165 CA LEU A 12 -6.222 4.198 5.061 1.00 0.45 C ATOM 166 C LEU A 12 -7.750 4.127 5.047 1.00 0.44 C ATOM 167 O LEU A 12 -8.337 3.067 5.134 1.00 0.58 O ATOM 168 CB LEU A 12 -5.669 4.195 3.635 1.00 0.63 C ATOM 169 CG LEU A 12 -4.906 5.497 3.371 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.803 5.674 4.418 1.00 0.82 C ATOM 171 CD2 LEU A 12 -4.275 5.440 1.977 1.00 1.16 C ATOM 0 H LEU A 12 -5.945 2.093 5.298 1.00 0.40 H new ATOM 0 HA LEU A 12 -5.963 5.107 5.603 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.008 3.340 3.494 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.484 4.089 2.919 1.00 0.63 H new ATOM 0 HG LEU A 12 -5.597 6.338 3.430 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.264 6.601 4.225 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.248 5.713 5.412 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -3.111 4.834 4.363 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -3.731 6.365 1.786 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.587 4.597 1.923 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -5.058 5.318 1.228 1.00 1.16 H new ATOM 183 N ARG A 13 -8.393 5.256 4.929 1.00 0.47 N ATOM 184 CA ARG A 13 -9.883 5.273 4.897 1.00 0.55 C ATOM 185 C ARG A 13 -10.378 6.533 4.174 1.00 0.54 C ATOM 186 O ARG A 13 -9.654 7.148 3.418 1.00 0.73 O ATOM 187 CB ARG A 13 -10.325 5.257 6.371 1.00 0.69 C ATOM 188 CG ARG A 13 -10.002 6.590 7.060 1.00 1.19 C ATOM 189 CD ARG A 13 -11.241 7.092 7.804 1.00 1.28 C ATOM 190 NE ARG A 13 -11.279 6.296 9.063 1.00 1.86 N ATOM 191 CZ ARG A 13 -10.921 6.844 10.192 1.00 2.30 C ATOM 192 NH1 ARG A 13 -11.533 7.914 10.621 1.00 2.68 N ATOM 193 NH2 ARG A 13 -9.952 6.323 10.892 1.00 2.84 N ATOM 0 H ARG A 13 -7.949 6.171 4.853 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.298 4.422 4.356 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -11.396 5.064 6.430 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -9.825 4.443 6.895 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.174 6.460 7.757 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.685 7.326 6.321 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.171 8.159 8.013 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -12.145 6.941 7.214 1.00 1.28 H new ATOM 0 HE ARG A 13 -11.585 5.323 9.042 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -12.291 8.322 10.074 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -11.253 8.342 11.503 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -9.473 5.487 10.557 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -9.673 6.752 11.774 1.00 2.84 H new ATOM 207 N LYS A 14 -11.603 6.916 4.397 1.00 0.58 N ATOM 208 CA LYS A 14 -12.143 8.129 3.716 1.00 0.63 C ATOM 209 C LYS A 14 -11.391 9.392 4.157 1.00 0.65 C ATOM 210 O LYS A 14 -11.169 10.295 3.375 1.00 0.83 O ATOM 211 CB LYS A 14 -13.605 8.201 4.150 1.00 0.74 C ATOM 212 CG LYS A 14 -14.417 7.154 3.385 1.00 1.26 C ATOM 213 CD LYS A 14 -15.158 6.255 4.379 1.00 1.92 C ATOM 214 CE LYS A 14 -16.120 7.103 5.214 1.00 2.26 C ATOM 215 NZ LYS A 14 -16.273 6.359 6.495 1.00 2.80 N ATOM 0 H LYS A 14 -12.256 6.443 5.022 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.032 8.069 2.633 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.686 8.027 5.223 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.004 9.197 3.958 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -15.129 7.644 2.721 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -13.758 6.554 2.758 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -15.709 5.481 3.845 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -14.445 5.748 5.029 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -15.720 8.103 5.383 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -17.079 7.224 4.710 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -16.920 6.878 7.123 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -16.661 5.414 6.303 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -15.345 6.265 6.955 1.00 2.80 H new ATOM 229 N SER A 15 -11.012 9.474 5.404 1.00 0.68 N ATOM 230 CA SER A 15 -10.294 10.693 5.886 1.00 0.88 C ATOM 231 C SER A 15 -8.791 10.430 6.052 1.00 0.81 C ATOM 232 O SER A 15 -8.071 11.244 6.597 1.00 1.05 O ATOM 233 CB SER A 15 -10.926 11.001 7.242 1.00 1.10 C ATOM 234 OG SER A 15 -10.334 12.170 7.789 1.00 1.68 O ATOM 0 H SER A 15 -11.167 8.753 6.109 1.00 0.68 H new ATOM 0 HA SER A 15 -10.383 11.518 5.179 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.001 11.144 7.130 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.786 10.159 7.920 1.00 1.10 H new ATOM 0 HG SER A 15 -9.389 12.209 7.533 1.00 1.68 H new ATOM 240 N ASN A 16 -8.308 9.308 5.596 1.00 0.65 N ATOM 241 CA ASN A 16 -6.851 9.016 5.741 1.00 0.68 C ATOM 242 C ASN A 16 -6.169 8.997 4.372 1.00 0.55 C ATOM 243 O ASN A 16 -5.023 9.378 4.232 1.00 0.56 O ATOM 244 CB ASN A 16 -6.789 7.633 6.384 1.00 0.87 C ATOM 245 CG ASN A 16 -6.312 7.752 7.828 1.00 0.91 C ATOM 246 OD1 ASN A 16 -5.640 8.698 8.185 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.640 6.821 8.682 1.00 0.98 N ATOM 0 H ASN A 16 -8.854 8.583 5.131 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.340 9.771 6.338 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.773 7.164 6.354 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.113 6.990 5.820 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -6.332 6.887 9.652 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.205 6.027 8.379 1.00 0.98 H new ATOM 254 N PHE A 17 -6.862 8.551 3.363 1.00 0.55 N ATOM 255 CA PHE A 17 -6.256 8.501 2.004 1.00 0.51 C ATOM 256 C PHE A 17 -5.747 9.887 1.598 1.00 0.46 C ATOM 257 O PHE A 17 -4.565 10.096 1.413 1.00 0.52 O ATOM 258 CB PHE A 17 -7.389 8.057 1.080 1.00 0.56 C ATOM 259 CG PHE A 17 -6.837 7.802 -0.302 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.415 8.874 -1.095 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.748 6.492 -0.788 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.902 8.637 -2.376 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.235 6.255 -2.068 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.812 7.328 -2.864 1.00 0.87 C ATOM 0 H PHE A 17 -7.824 8.218 3.421 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.403 7.824 1.959 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.858 7.153 1.469 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.162 8.824 1.039 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.485 9.884 -0.719 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.075 5.665 -0.175 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.575 9.465 -2.988 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.165 5.245 -2.443 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.417 7.145 -3.852 1.00 0.87 H new ATOM 274 N ALA A 18 -6.632 10.833 1.456 1.00 0.52 N ATOM 275 CA ALA A 18 -6.202 12.206 1.062 1.00 0.66 C ATOM 276 C ALA A 18 -5.120 12.714 2.018 1.00 0.59 C ATOM 277 O ALA A 18 -4.343 13.585 1.684 1.00 0.75 O ATOM 278 CB ALA A 18 -7.463 13.063 1.171 1.00 0.84 C ATOM 0 H ALA A 18 -7.636 10.716 1.596 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.777 12.235 0.059 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -7.229 14.091 0.896 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -8.227 12.673 0.499 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.833 13.037 2.196 1.00 0.84 H new ATOM 284 N GLU A 19 -5.061 12.171 3.204 1.00 0.46 N ATOM 285 CA GLU A 19 -4.025 12.619 4.177 1.00 0.49 C ATOM 286 C GLU A 19 -2.708 11.894 3.905 1.00 0.48 C ATOM 287 O GLU A 19 -1.708 12.500 3.578 1.00 0.56 O ATOM 288 CB GLU A 19 -4.573 12.233 5.550 1.00 0.55 C ATOM 289 CG GLU A 19 -3.645 12.774 6.640 1.00 0.69 C ATOM 290 CD GLU A 19 -4.037 12.175 7.992 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.177 12.352 8.386 1.00 1.78 O ATOM 292 OE2 GLU A 19 -3.190 11.552 8.609 1.00 1.66 O ATOM 0 H GLU A 19 -5.685 11.437 3.540 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.825 13.688 4.107 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.577 12.637 5.679 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.652 11.149 5.630 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.610 12.525 6.407 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.710 13.861 6.680 1.00 0.69 H new ATOM 299 N ALA A 20 -2.703 10.595 4.032 1.00 0.45 N ATOM 300 CA ALA A 20 -1.453 9.824 3.774 1.00 0.53 C ATOM 301 C ALA A 20 -0.897 10.179 2.392 1.00 0.57 C ATOM 302 O ALA A 20 0.291 10.100 2.149 1.00 0.71 O ATOM 303 CB ALA A 20 -1.875 8.355 3.823 1.00 0.57 C ATOM 0 H ALA A 20 -3.510 10.034 4.303 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.671 10.045 4.500 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.007 7.721 3.642 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.291 8.129 4.805 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.628 8.167 3.058 1.00 0.57 H new ATOM 309 N LEU A 21 -1.750 10.576 1.489 1.00 0.55 N ATOM 310 CA LEU A 21 -1.277 10.944 0.124 1.00 0.69 C ATOM 311 C LEU A 21 -0.323 12.135 0.209 1.00 0.75 C ATOM 312 O LEU A 21 0.717 12.160 -0.420 1.00 0.92 O ATOM 313 CB LEU A 21 -2.549 11.323 -0.641 1.00 0.74 C ATOM 314 CG LEU A 21 -2.876 10.243 -1.681 1.00 0.84 C ATOM 315 CD1 LEU A 21 -1.788 10.224 -2.756 1.00 1.44 C ATOM 316 CD2 LEU A 21 -2.952 8.870 -1.007 1.00 0.90 C ATOM 0 H LEU A 21 -2.756 10.662 1.637 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.734 10.135 -0.365 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.382 11.435 0.054 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.414 12.286 -1.134 1.00 0.74 H new ATOM 0 HG LEU A 21 -3.839 10.469 -2.138 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.020 9.457 -3.495 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -1.743 11.197 -3.245 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -0.825 10.004 -2.295 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -3.185 8.111 -1.754 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -1.994 8.640 -0.541 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -3.732 8.881 -0.246 1.00 0.90 H new ATOM 328 N ALA A 22 -0.668 13.119 0.988 1.00 0.71 N ATOM 329 CA ALA A 22 0.215 14.312 1.129 1.00 0.85 C ATOM 330 C ALA A 22 1.107 14.166 2.367 1.00 0.89 C ATOM 331 O ALA A 22 2.107 14.843 2.505 1.00 1.08 O ATOM 332 CB ALA A 22 -0.741 15.494 1.292 1.00 1.00 C ATOM 0 H ALA A 22 -1.527 13.150 1.537 1.00 0.71 H new ATOM 0 HA ALA A 22 0.878 14.440 0.274 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.167 16.414 1.402 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.381 15.569 0.413 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.358 15.343 2.178 1.00 1.00 H new ATOM 338 N ALA A 23 0.753 13.290 3.270 1.00 0.86 N ATOM 339 CA ALA A 23 1.580 13.104 4.496 1.00 0.93 C ATOM 340 C ALA A 23 3.020 12.747 4.119 1.00 0.85 C ATOM 341 O ALA A 23 3.945 13.485 4.397 1.00 0.95 O ATOM 342 CB ALA A 23 0.919 11.946 5.246 1.00 1.05 C ATOM 0 H ALA A 23 -0.074 12.695 3.211 1.00 0.86 H new ATOM 0 HA ALA A 23 1.628 14.009 5.101 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.470 11.746 6.165 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.110 12.211 5.491 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.925 11.055 4.618 1.00 1.05 H new ATOM 348 N HIS A 24 3.220 11.622 3.488 1.00 0.83 N ATOM 349 CA HIS A 24 4.603 11.223 3.098 1.00 0.84 C ATOM 350 C HIS A 24 4.731 11.166 1.573 1.00 0.82 C ATOM 351 O HIS A 24 3.759 10.986 0.865 1.00 1.30 O ATOM 352 CB HIS A 24 4.799 9.831 3.701 1.00 0.95 C ATOM 353 CG HIS A 24 4.985 9.948 5.190 1.00 1.22 C ATOM 354 ND1 HIS A 24 6.064 10.612 5.752 1.00 1.80 N ATOM 355 CD2 HIS A 24 4.237 9.487 6.245 1.00 1.84 C ATOM 356 CE1 HIS A 24 5.937 10.533 7.089 1.00 2.04 C ATOM 357 NE2 HIS A 24 4.840 9.858 7.444 1.00 2.00 N ATOM 0 H HIS A 24 2.487 10.963 3.226 1.00 0.83 H new ATOM 0 HA HIS A 24 5.350 11.933 3.453 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.936 9.203 3.480 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.667 9.348 3.253 1.00 0.95 H new ATOM 0 HD2 HIS A 24 3.320 8.923 6.158 1.00 1.84 H new ATOM 0 HE1 HIS A 24 6.637 10.963 7.790 1.00 2.04 H new ATOM 0 HE2 HIS A 24 4.514 9.658 8.390 1.00 2.00 H new ATOM 365 N LYS A 25 5.923 11.315 1.065 1.00 0.72 N ATOM 366 CA LYS A 25 6.113 11.265 -0.414 1.00 0.69 C ATOM 367 C LYS A 25 5.675 9.899 -0.948 1.00 0.59 C ATOM 368 O LYS A 25 4.650 9.773 -1.589 1.00 0.68 O ATOM 369 CB LYS A 25 7.614 11.467 -0.627 1.00 0.81 C ATOM 370 CG LYS A 25 8.011 12.874 -0.174 1.00 1.20 C ATOM 371 CD LYS A 25 9.454 12.858 0.339 1.00 1.51 C ATOM 372 CE LYS A 25 10.409 12.593 -0.827 1.00 2.06 C ATOM 373 NZ LYS A 25 11.681 13.264 -0.441 1.00 2.47 N ATOM 0 H LYS A 25 6.773 11.469 1.608 1.00 0.72 H new ATOM 0 HA LYS A 25 5.524 12.019 -0.936 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.175 10.721 -0.065 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.864 11.328 -1.679 1.00 0.81 H new ATOM 0 HG2 LYS A 25 7.917 13.575 -1.004 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.338 13.218 0.612 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.694 13.811 0.810 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.571 12.088 1.101 1.00 1.51 H new ATOM 0 HE2 LYS A 25 10.557 11.524 -0.981 1.00 2.06 H new ATOM 0 HE3 LYS A 25 10.016 12.998 -1.759 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 12.387 13.127 -1.192 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 11.510 14.281 -0.308 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 12.035 12.853 0.446 1.00 2.47 H new ATOM 387 N TYR A 26 6.439 8.875 -0.683 1.00 0.52 N ATOM 388 CA TYR A 26 6.061 7.516 -1.170 1.00 0.48 C ATOM 389 C TYR A 26 4.986 6.921 -0.256 1.00 0.46 C ATOM 390 O TYR A 26 5.159 6.834 0.944 1.00 0.53 O ATOM 391 CB TYR A 26 7.349 6.687 -1.095 1.00 0.56 C ATOM 392 CG TYR A 26 8.459 7.399 -1.836 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.239 7.881 -3.132 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.708 7.574 -1.227 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.266 8.537 -3.819 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.736 8.231 -1.915 1.00 1.31 C ATOM 397 CZ TYR A 26 10.516 8.718 -3.203 1.00 1.08 C ATOM 398 OH TYR A 26 11.527 9.359 -3.888 1.00 1.33 O ATOM 0 H TYR A 26 7.308 8.919 -0.151 1.00 0.52 H new ATOM 0 HA TYR A 26 5.654 7.535 -2.181 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.634 6.534 -0.054 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.184 5.701 -1.529 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.276 7.746 -3.602 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.878 7.203 -0.227 1.00 1.08 H new ATOM 0 HE1 TYR A 26 9.098 8.904 -4.821 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.701 8.361 -1.447 1.00 1.31 H new ATOM 0 HH TYR A 26 12.327 9.405 -3.323 1.00 1.33 H new ATOM 408 N LEU A 27 3.875 6.519 -0.807 1.00 0.46 N ATOM 409 CA LEU A 27 2.794 5.942 0.043 1.00 0.45 C ATOM 410 C LEU A 27 2.184 4.706 -0.622 1.00 0.40 C ATOM 411 O LEU A 27 1.630 4.778 -1.702 1.00 0.50 O ATOM 412 CB LEU A 27 1.753 7.055 0.158 1.00 0.51 C ATOM 413 CG LEU A 27 1.255 7.144 1.603 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.630 5.808 2.010 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.429 7.459 2.530 1.00 0.66 C ATOM 0 H LEU A 27 3.668 6.564 -1.805 1.00 0.46 H new ATOM 0 HA LEU A 27 3.166 5.620 1.016 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.188 8.007 -0.147 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.918 6.857 -0.514 1.00 0.51 H new ATOM 0 HG LEU A 27 0.509 7.934 1.681 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.275 5.871 3.039 1.00 1.93 H new ATOM 0 HD12 LEU A 27 -0.208 5.582 1.350 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.377 5.018 1.931 1.00 1.93 H new ATOM 0 HD21 LEU A 27 2.074 7.522 3.559 1.00 0.66 H new ATOM 0 HD22 LEU A 27 3.176 6.669 2.452 1.00 0.66 H new ATOM 0 HD23 LEU A 27 2.875 8.411 2.241 1.00 0.66 H new ATOM 427 N LEU A 28 2.271 3.572 0.019 1.00 0.33 N ATOM 428 CA LEU A 28 1.687 2.333 -0.570 1.00 0.32 C ATOM 429 C LEU A 28 0.308 2.070 0.036 1.00 0.29 C ATOM 430 O LEU A 28 0.119 2.168 1.233 1.00 0.35 O ATOM 431 CB LEU A 28 2.658 1.213 -0.193 1.00 0.40 C ATOM 432 CG LEU A 28 2.898 0.312 -1.406 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.573 -0.313 -1.849 1.00 1.12 C ATOM 434 CD2 LEU A 28 3.478 1.142 -2.551 1.00 0.73 C ATOM 0 H LEU A 28 2.722 3.450 0.926 1.00 0.33 H new ATOM 0 HA LEU A 28 1.557 2.409 -1.650 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.602 1.637 0.151 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.252 0.628 0.632 1.00 0.40 H new ATOM 0 HG LEU A 28 3.600 -0.478 -1.138 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.744 -0.955 -2.713 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.160 -0.906 -1.033 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.870 0.476 -2.117 1.00 1.12 H new ATOM 0 HD21 LEU A 28 3.649 0.500 -3.415 1.00 0.73 H new ATOM 0 HD22 LEU A 28 2.777 1.932 -2.819 1.00 0.73 H new ATOM 0 HD23 LEU A 28 4.422 1.586 -2.236 1.00 0.73 H new ATOM 446 N VAL A 29 -0.656 1.736 -0.774 1.00 0.32 N ATOM 447 CA VAL A 29 -2.019 1.469 -0.234 1.00 0.32 C ATOM 448 C VAL A 29 -2.592 0.189 -0.848 1.00 0.34 C ATOM 449 O VAL A 29 -2.587 0.007 -2.050 1.00 0.47 O ATOM 450 CB VAL A 29 -2.855 2.682 -0.647 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.257 2.560 -0.049 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.190 3.960 -0.133 1.00 0.77 C ATOM 0 H VAL A 29 -0.561 1.636 -1.785 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.013 1.327 0.847 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.925 2.722 -1.734 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.854 3.424 -0.342 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.731 1.650 -0.416 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.187 2.520 1.038 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.786 4.824 -0.427 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.119 3.921 0.954 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.190 4.047 -0.559 1.00 0.77 H new ATOM 462 N GLU A 30 -3.090 -0.697 -0.030 1.00 0.32 N ATOM 463 CA GLU A 30 -3.672 -1.963 -0.563 1.00 0.39 C ATOM 464 C GLU A 30 -5.186 -1.969 -0.348 1.00 0.36 C ATOM 465 O GLU A 30 -5.677 -1.571 0.688 1.00 0.42 O ATOM 466 CB GLU A 30 -3.013 -3.079 0.249 1.00 0.52 C ATOM 467 CG GLU A 30 -3.582 -4.433 -0.187 1.00 0.64 C ATOM 468 CD GLU A 30 -3.923 -4.390 -1.679 1.00 0.89 C ATOM 469 OE1 GLU A 30 -3.354 -3.566 -2.374 1.00 1.48 O ATOM 470 OE2 GLU A 30 -4.749 -5.184 -2.099 1.00 1.60 O ATOM 0 H GLU A 30 -3.119 -0.600 0.985 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.496 -2.083 -1.632 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.933 -3.062 0.101 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.192 -2.923 1.313 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -2.857 -5.223 0.008 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -4.474 -4.668 0.394 1.00 0.64 H new ATOM 477 N PHE A 31 -5.930 -2.417 -1.319 1.00 0.35 N ATOM 478 CA PHE A 31 -7.408 -2.447 -1.167 1.00 0.36 C ATOM 479 C PHE A 31 -7.915 -3.889 -1.263 1.00 0.39 C ATOM 480 O PHE A 31 -8.065 -4.430 -2.341 1.00 0.49 O ATOM 481 CB PHE A 31 -7.927 -1.618 -2.338 1.00 0.41 C ATOM 482 CG PHE A 31 -7.623 -0.157 -2.102 1.00 0.38 C ATOM 483 CD1 PHE A 31 -8.338 0.561 -1.136 1.00 0.53 C ATOM 484 CD2 PHE A 31 -6.627 0.479 -2.852 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.055 1.916 -0.919 1.00 0.59 C ATOM 486 CE2 PHE A 31 -6.344 1.833 -2.636 1.00 0.52 C ATOM 487 CZ PHE A 31 -7.059 2.551 -1.670 1.00 0.53 C ATOM 0 H PHE A 31 -5.577 -2.764 -2.211 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.741 -2.057 -0.205 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.462 -1.951 -3.266 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.002 -1.762 -2.450 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.107 0.071 -0.558 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.076 -0.075 -3.598 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -8.605 2.470 -0.173 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -5.575 2.323 -3.214 1.00 0.52 H new ATOM 0 HZ PHE A 31 -6.842 3.596 -1.504 1.00 0.53 H new ATOM 497 N TYR A 32 -8.173 -4.522 -0.150 1.00 0.37 N ATOM 498 CA TYR A 32 -8.661 -5.933 -0.206 1.00 0.44 C ATOM 499 C TYR A 32 -9.804 -6.159 0.793 1.00 0.40 C ATOM 500 O TYR A 32 -10.179 -5.273 1.534 1.00 0.45 O ATOM 501 CB TYR A 32 -7.439 -6.787 0.157 1.00 0.54 C ATOM 502 CG TYR A 32 -7.065 -6.568 1.605 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.375 -5.410 1.978 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.403 -7.524 2.571 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.023 -5.204 3.316 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.051 -7.318 3.911 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.384 -6.167 4.291 1.00 0.77 C ATOM 508 OH TYR A 32 -6.013 -5.957 5.604 1.00 0.94 O ATOM 0 H TYR A 32 -8.069 -4.130 0.786 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.062 -6.188 -1.187 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.658 -7.841 -0.015 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.599 -6.527 -0.487 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.114 -4.674 1.232 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -7.934 -8.419 2.283 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -5.479 -4.316 3.604 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.302 -8.062 4.652 1.00 0.79 H new ATOM 0 HH TYR A 32 -6.331 -6.701 6.157 1.00 0.94 H new ATOM 518 N ALA A 33 -10.354 -7.345 0.818 1.00 0.40 N ATOM 519 CA ALA A 33 -11.464 -7.632 1.769 1.00 0.44 C ATOM 520 C ALA A 33 -11.106 -8.845 2.636 1.00 0.53 C ATOM 521 O ALA A 33 -10.230 -9.610 2.289 1.00 0.56 O ATOM 522 CB ALA A 33 -12.672 -7.942 0.886 1.00 0.49 C ATOM 0 H ALA A 33 -10.081 -8.126 0.221 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.659 -6.800 2.445 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.534 -8.165 1.514 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.894 -7.080 0.257 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.450 -8.803 0.255 1.00 0.49 H new ATOM 528 N PRO A 34 -11.801 -8.989 3.737 1.00 0.63 N ATOM 529 CA PRO A 34 -11.543 -10.132 4.649 1.00 0.78 C ATOM 530 C PRO A 34 -11.988 -11.442 3.995 1.00 0.82 C ATOM 531 O PRO A 34 -11.538 -12.512 4.357 1.00 0.96 O ATOM 532 CB PRO A 34 -12.391 -9.812 5.877 1.00 0.90 C ATOM 533 CG PRO A 34 -13.476 -8.917 5.367 1.00 0.81 C ATOM 534 CD PRO A 34 -12.882 -8.125 4.233 1.00 0.66 C ATOM 0 HA PRO A 34 -10.489 -10.260 4.894 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -12.802 -10.718 6.322 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -11.800 -9.318 6.648 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.331 -9.500 5.026 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -13.835 -8.255 6.155 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.620 -7.921 3.457 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.501 -7.162 4.573 1.00 0.66 H new ATOM 542 N TRP A 35 -12.865 -11.367 3.032 1.00 0.74 N ATOM 543 CA TRP A 35 -13.332 -12.608 2.355 1.00 0.83 C ATOM 544 C TRP A 35 -12.442 -12.927 1.146 1.00 0.78 C ATOM 545 O TRP A 35 -12.500 -14.008 0.595 1.00 0.92 O ATOM 546 CB TRP A 35 -14.767 -12.310 1.912 1.00 0.91 C ATOM 547 CG TRP A 35 -14.771 -11.190 0.920 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.131 -9.914 1.190 1.00 0.84 C ATOM 549 CD2 TRP A 35 -14.411 -11.224 -0.492 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.015 -9.163 0.035 1.00 0.85 N ATOM 551 CE2 TRP A 35 -14.573 -9.924 -1.030 1.00 1.19 C ATOM 552 CE3 TRP A 35 -13.963 -12.243 -1.351 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -14.302 -9.647 -2.370 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -13.687 -11.969 -2.700 1.00 2.36 C ATOM 555 CH2 TRP A 35 -13.856 -10.673 -3.209 1.00 2.26 C ATOM 0 H TRP A 35 -13.278 -10.501 2.686 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.286 -13.476 3.013 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.213 -13.201 1.470 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.376 -12.044 2.776 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.456 -9.543 2.151 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.230 -8.168 -0.024 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -13.830 -13.245 -0.970 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -14.436 -8.647 -2.757 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -13.343 -12.760 -3.349 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -13.642 -10.468 -4.247 1.00 2.26 H new ATOM 566 N CYS A 36 -11.614 -12.000 0.729 1.00 0.65 N ATOM 567 CA CYS A 36 -10.723 -12.265 -0.439 1.00 0.67 C ATOM 568 C CYS A 36 -9.992 -13.603 -0.258 1.00 0.84 C ATOM 569 O CYS A 36 -9.872 -14.109 0.840 1.00 1.63 O ATOM 570 CB CYS A 36 -9.732 -11.102 -0.440 1.00 0.58 C ATOM 571 SG CYS A 36 -8.596 -11.271 -1.835 1.00 1.07 S ATOM 0 H CYS A 36 -11.518 -11.074 1.147 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.273 -12.335 -1.377 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.268 -10.155 -0.508 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.174 -11.086 0.496 1.00 0.58 H new ATOM 576 N GLY A 37 -9.514 -14.183 -1.325 1.00 0.96 N ATOM 577 CA GLY A 37 -8.805 -15.490 -1.203 1.00 1.08 C ATOM 578 C GLY A 37 -7.327 -15.316 -1.564 1.00 1.00 C ATOM 579 O GLY A 37 -6.456 -15.886 -0.936 1.00 1.83 O ATOM 0 H GLY A 37 -9.583 -13.811 -2.272 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -8.898 -15.870 -0.186 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.265 -16.226 -1.862 1.00 1.08 H new ATOM 583 N HIS A 38 -7.036 -14.541 -2.570 1.00 0.89 N ATOM 584 CA HIS A 38 -5.611 -14.342 -2.967 1.00 0.97 C ATOM 585 C HIS A 38 -4.971 -13.201 -2.166 1.00 0.88 C ATOM 586 O HIS A 38 -3.823 -12.864 -2.369 1.00 1.13 O ATOM 587 CB HIS A 38 -5.662 -13.990 -4.453 1.00 1.32 C ATOM 588 CG HIS A 38 -5.707 -15.254 -5.267 1.00 1.72 C ATOM 589 ND1 HIS A 38 -4.732 -16.233 -5.165 1.00 2.39 N ATOM 590 CD2 HIS A 38 -6.605 -15.714 -6.198 1.00 2.35 C ATOM 591 CE1 HIS A 38 -5.063 -17.224 -6.013 1.00 2.85 C ATOM 592 NE2 HIS A 38 -6.196 -16.958 -6.668 1.00 2.87 N ATOM 0 H HIS A 38 -7.720 -14.037 -3.135 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.009 -15.229 -2.772 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -6.540 -13.378 -4.663 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -4.788 -13.399 -4.728 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -7.494 -15.190 -6.517 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -4.483 -18.125 -6.148 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -6.661 -17.541 -7.363 1.00 2.87 H new ATOM 600 N CYS A 39 -5.694 -12.607 -1.254 1.00 0.79 N ATOM 601 CA CYS A 39 -5.103 -11.501 -0.450 1.00 0.88 C ATOM 602 C CYS A 39 -4.340 -12.082 0.741 1.00 0.82 C ATOM 603 O CYS A 39 -3.414 -11.483 1.251 1.00 1.00 O ATOM 604 CB CYS A 39 -6.295 -10.670 0.019 1.00 1.08 C ATOM 605 SG CYS A 39 -7.127 -9.956 -1.421 1.00 1.00 S ATOM 0 H CYS A 39 -6.662 -12.839 -1.033 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.396 -10.898 -1.020 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -6.989 -11.294 0.583 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -5.960 -9.879 0.690 1.00 1.08 H new ATOM 610 N LYS A 40 -4.720 -13.249 1.183 1.00 0.78 N ATOM 611 CA LYS A 40 -4.015 -13.873 2.335 1.00 0.94 C ATOM 612 C LYS A 40 -2.587 -14.243 1.933 1.00 0.84 C ATOM 613 O LYS A 40 -1.688 -14.277 2.750 1.00 0.94 O ATOM 614 CB LYS A 40 -4.826 -15.128 2.673 1.00 1.21 C ATOM 615 CG LYS A 40 -4.853 -16.079 1.470 1.00 1.56 C ATOM 616 CD LYS A 40 -3.588 -16.937 1.464 1.00 2.11 C ATOM 617 CE LYS A 40 -3.970 -18.414 1.585 1.00 2.72 C ATOM 618 NZ LYS A 40 -3.663 -18.774 2.997 1.00 3.29 N ATOM 0 H LYS A 40 -5.488 -13.797 0.795 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.942 -13.201 3.190 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.388 -15.632 3.535 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -5.843 -14.850 2.949 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.736 -16.716 1.517 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -4.921 -15.508 0.544 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -3.027 -16.770 0.544 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -2.938 -16.650 2.290 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -5.025 -18.569 1.358 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -3.400 -19.028 0.888 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -3.898 -19.774 3.159 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -2.651 -18.622 3.182 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -4.225 -18.178 3.637 1.00 3.29 H new ATOM 632 N ALA A 41 -2.371 -14.520 0.677 1.00 0.77 N ATOM 633 CA ALA A 41 -1.001 -14.890 0.218 1.00 0.86 C ATOM 634 C ALA A 41 -0.020 -13.749 0.503 1.00 0.75 C ATOM 635 O ALA A 41 0.985 -13.932 1.161 1.00 0.90 O ATOM 636 CB ALA A 41 -1.137 -15.116 -1.287 1.00 0.93 C ATOM 0 H ALA A 41 -3.084 -14.506 -0.052 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.618 -15.772 0.731 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.168 -15.393 -1.702 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -1.853 -15.917 -1.471 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.487 -14.200 -1.762 1.00 0.93 H new ATOM 642 N LEU A 42 -0.300 -12.574 0.008 1.00 0.65 N ATOM 643 CA LEU A 42 0.622 -11.426 0.248 1.00 0.67 C ATOM 644 C LEU A 42 0.134 -10.585 1.431 1.00 0.63 C ATOM 645 O LEU A 42 0.440 -9.415 1.539 1.00 0.70 O ATOM 646 CB LEU A 42 0.578 -10.608 -1.042 1.00 0.82 C ATOM 647 CG LEU A 42 1.830 -9.733 -1.133 1.00 0.86 C ATOM 648 CD1 LEU A 42 3.061 -10.623 -1.310 1.00 1.24 C ATOM 649 CD2 LEU A 42 1.707 -8.790 -2.331 1.00 1.37 C ATOM 0 H LEU A 42 -1.126 -12.359 -0.551 1.00 0.65 H new ATOM 0 HA LEU A 42 1.632 -11.756 0.491 1.00 0.67 H new ATOM 0 HB2 LEU A 42 0.522 -11.272 -1.905 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.316 -9.985 -1.060 1.00 0.82 H new ATOM 0 HG LEU A 42 1.932 -9.148 -0.219 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.954 -10.001 -1.375 1.00 1.24 H new ATOM 0 HD12 LEU A 42 3.149 -11.296 -0.457 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.959 -11.208 -2.224 1.00 1.24 H new ATOM 0 HD21 LEU A 42 2.599 -8.166 -2.396 1.00 1.37 H new ATOM 0 HD22 LEU A 42 1.605 -9.375 -3.245 1.00 1.37 H new ATOM 0 HD23 LEU A 42 0.829 -8.156 -2.206 1.00 1.37 H new ATOM 661 N ALA A 43 -0.620 -11.172 2.319 1.00 0.71 N ATOM 662 CA ALA A 43 -1.121 -10.399 3.492 1.00 0.73 C ATOM 663 C ALA A 43 -0.028 -10.296 4.564 1.00 0.67 C ATOM 664 O ALA A 43 0.257 -9.217 5.046 1.00 0.65 O ATOM 665 CB ALA A 43 -2.319 -11.192 4.015 1.00 0.88 C ATOM 0 H ALA A 43 -0.910 -12.149 2.284 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.399 -9.380 3.225 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.742 -10.683 4.881 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -3.075 -11.267 3.233 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.995 -12.192 4.304 1.00 0.88 H new ATOM 671 N PRO A 44 0.557 -11.420 4.908 1.00 0.69 N ATOM 672 CA PRO A 44 1.623 -11.426 5.929 1.00 0.70 C ATOM 673 C PRO A 44 2.966 -11.078 5.289 1.00 0.59 C ATOM 674 O PRO A 44 3.890 -10.663 5.958 1.00 0.65 O ATOM 675 CB PRO A 44 1.623 -12.861 6.436 1.00 0.83 C ATOM 676 CG PRO A 44 1.064 -13.685 5.312 1.00 0.84 C ATOM 677 CD PRO A 44 0.292 -12.768 4.391 1.00 0.76 C ATOM 0 HA PRO A 44 1.463 -10.698 6.725 1.00 0.70 H new ATOM 0 HB2 PRO A 44 2.631 -13.185 6.696 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.014 -12.959 7.335 1.00 0.83 H new ATOM 0 HG2 PRO A 44 1.868 -14.181 4.768 1.00 0.84 H new ATOM 0 HG3 PRO A 44 0.413 -14.468 5.702 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.626 -12.870 3.358 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.774 -12.996 4.405 1.00 0.76 H new ATOM 685 N GLU A 45 3.073 -11.208 3.995 1.00 0.53 N ATOM 686 CA GLU A 45 4.342 -10.848 3.317 1.00 0.46 C ATOM 687 C GLU A 45 4.448 -9.332 3.343 1.00 0.41 C ATOM 688 O GLU A 45 5.508 -8.755 3.484 1.00 0.47 O ATOM 689 CB GLU A 45 4.180 -11.364 1.887 1.00 0.48 C ATOM 690 CG GLU A 45 4.113 -12.893 1.899 1.00 0.61 C ATOM 691 CD GLU A 45 2.716 -13.349 1.476 1.00 1.12 C ATOM 692 OE1 GLU A 45 1.778 -12.604 1.703 1.00 1.90 O ATOM 693 OE2 GLU A 45 2.608 -14.437 0.934 1.00 1.83 O ATOM 0 H GLU A 45 2.333 -11.549 3.381 1.00 0.53 H new ATOM 0 HA GLU A 45 5.236 -11.266 3.779 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.274 -10.953 1.442 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.016 -11.031 1.272 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.861 -13.305 1.222 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.343 -13.269 2.896 1.00 0.61 H new ATOM 700 N TYR A 46 3.320 -8.698 3.235 1.00 0.43 N ATOM 701 CA TYR A 46 3.265 -7.218 3.277 1.00 0.48 C ATOM 702 C TYR A 46 3.890 -6.716 4.580 1.00 0.52 C ATOM 703 O TYR A 46 4.936 -6.099 4.589 1.00 0.69 O ATOM 704 CB TYR A 46 1.769 -6.911 3.260 1.00 0.64 C ATOM 705 CG TYR A 46 1.491 -5.827 2.269 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.259 -6.155 0.937 1.00 1.02 C ATOM 707 CD2 TYR A 46 1.473 -4.496 2.687 1.00 1.03 C ATOM 708 CE1 TYR A 46 1.003 -5.142 0.003 1.00 1.38 C ATOM 709 CE2 TYR A 46 1.219 -3.479 1.761 1.00 1.39 C ATOM 710 CZ TYR A 46 0.964 -3.803 0.422 1.00 1.50 C ATOM 711 OH TYR A 46 0.734 -2.801 -0.499 1.00 1.95 O ATOM 0 H TYR A 46 2.415 -9.154 3.117 1.00 0.43 H new ATOM 0 HA TYR A 46 3.804 -6.744 2.457 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.206 -7.808 3.001 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.439 -6.604 4.252 1.00 0.64 H new ATOM 0 HD1 TYR A 46 1.276 -7.188 0.623 1.00 1.02 H new ATOM 0 HD2 TYR A 46 1.655 -4.252 3.723 1.00 1.03 H new ATOM 0 HE1 TYR A 46 0.836 -5.391 -1.035 1.00 1.38 H new ATOM 0 HE2 TYR A 46 1.219 -2.446 2.077 1.00 1.39 H new ATOM 0 HH TYR A 46 1.220 -3.000 -1.327 1.00 1.95 H new ATOM 721 N ALA A 47 3.243 -6.984 5.678 1.00 0.53 N ATOM 722 CA ALA A 47 3.770 -6.537 6.997 1.00 0.62 C ATOM 723 C ALA A 47 5.222 -6.988 7.176 1.00 0.58 C ATOM 724 O ALA A 47 5.981 -6.387 7.911 1.00 0.68 O ATOM 725 CB ALA A 47 2.867 -7.217 8.026 1.00 0.73 C ATOM 0 H ALA A 47 2.363 -7.498 5.719 1.00 0.53 H new ATOM 0 HA ALA A 47 3.766 -5.452 7.097 1.00 0.62 H new ATOM 0 HB1 ALA A 47 3.187 -6.940 9.030 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.836 -6.898 7.873 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.933 -8.299 7.909 1.00 0.73 H new ATOM 731 N LYS A 48 5.616 -8.039 6.512 1.00 0.51 N ATOM 732 CA LYS A 48 7.020 -8.518 6.651 1.00 0.55 C ATOM 733 C LYS A 48 7.965 -7.575 5.905 1.00 0.53 C ATOM 734 O LYS A 48 9.092 -7.365 6.306 1.00 0.65 O ATOM 735 CB LYS A 48 7.033 -9.905 6.014 1.00 0.60 C ATOM 736 CG LYS A 48 7.894 -10.847 6.857 1.00 1.03 C ATOM 737 CD LYS A 48 7.093 -11.317 8.073 1.00 1.41 C ATOM 738 CE LYS A 48 8.005 -11.366 9.300 1.00 1.92 C ATOM 739 NZ LYS A 48 8.513 -12.765 9.346 1.00 2.47 N ATOM 0 H LYS A 48 5.029 -8.585 5.881 1.00 0.51 H new ATOM 0 HA LYS A 48 7.349 -8.549 7.690 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.017 -10.292 5.941 1.00 0.60 H new ATOM 0 HB3 LYS A 48 7.426 -9.847 4.999 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.206 -11.704 6.260 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.801 -10.337 7.181 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.258 -10.640 8.255 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.669 -12.303 7.883 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.823 -10.651 9.212 1.00 1.92 H new ATOM 0 HE3 LYS A 48 7.458 -11.114 10.209 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 9.147 -12.877 10.163 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 7.712 -13.422 9.436 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 9.035 -12.974 8.471 1.00 2.47 H new ATOM 753 N ALA A 49 7.512 -7.002 4.824 1.00 0.47 N ATOM 754 CA ALA A 49 8.385 -6.068 4.057 1.00 0.50 C ATOM 755 C ALA A 49 8.555 -4.766 4.837 1.00 0.53 C ATOM 756 O ALA A 49 9.619 -4.180 4.868 1.00 0.65 O ATOM 757 CB ALA A 49 7.647 -5.820 2.742 1.00 0.55 C ATOM 0 H ALA A 49 6.577 -7.139 4.439 1.00 0.47 H new ATOM 0 HA ALA A 49 9.382 -6.473 3.885 1.00 0.50 H new ATOM 0 HB1 ALA A 49 8.229 -5.139 2.121 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.512 -6.765 2.216 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.672 -5.378 2.949 1.00 0.55 H new ATOM 763 N ALA A 50 7.514 -4.314 5.477 1.00 0.54 N ATOM 764 CA ALA A 50 7.613 -3.057 6.269 1.00 0.65 C ATOM 765 C ALA A 50 8.546 -3.270 7.461 1.00 0.65 C ATOM 766 O ALA A 50 9.112 -2.337 7.997 1.00 0.77 O ATOM 767 CB ALA A 50 6.188 -2.772 6.744 1.00 0.76 C ATOM 0 H ALA A 50 6.597 -4.761 5.486 1.00 0.54 H new ATOM 0 HA ALA A 50 8.017 -2.228 5.688 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.178 -1.857 7.337 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.534 -2.652 5.880 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.835 -3.604 7.354 1.00 0.76 H new ATOM 773 N GLY A 51 8.717 -4.497 7.877 1.00 0.59 N ATOM 774 CA GLY A 51 9.619 -4.775 9.029 1.00 0.69 C ATOM 775 C GLY A 51 11.063 -4.512 8.604 1.00 0.78 C ATOM 776 O GLY A 51 11.883 -4.081 9.389 1.00 0.90 O ATOM 0 H GLY A 51 8.270 -5.318 7.468 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.354 -4.142 9.876 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.505 -5.809 9.356 1.00 0.69 H new ATOM 780 N LYS A 52 11.375 -4.763 7.363 1.00 0.80 N ATOM 781 CA LYS A 52 12.764 -4.519 6.878 1.00 1.01 C ATOM 782 C LYS A 52 13.054 -3.011 6.827 1.00 1.12 C ATOM 783 O LYS A 52 14.183 -2.593 6.670 1.00 1.31 O ATOM 784 CB LYS A 52 12.806 -5.124 5.474 1.00 1.15 C ATOM 785 CG LYS A 52 12.478 -6.616 5.554 1.00 1.49 C ATOM 786 CD LYS A 52 12.908 -7.305 4.257 1.00 1.97 C ATOM 787 CE LYS A 52 12.163 -8.634 4.113 1.00 2.64 C ATOM 788 NZ LYS A 52 12.496 -9.115 2.744 1.00 3.08 N ATOM 0 H LYS A 52 10.729 -5.127 6.663 1.00 0.80 H new ATOM 0 HA LYS A 52 13.514 -4.962 7.534 1.00 1.01 H new ATOM 0 HB2 LYS A 52 12.091 -4.617 4.826 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.793 -4.980 5.033 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.990 -7.066 6.404 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.409 -6.756 5.715 1.00 1.49 H new ATOM 0 HD2 LYS A 52 12.694 -6.662 3.403 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.984 -7.478 4.264 1.00 1.97 H new ATOM 0 HE2 LYS A 52 12.482 -9.349 4.871 1.00 2.64 H new ATOM 0 HE3 LYS A 52 11.088 -8.499 4.234 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 12.021 -10.024 2.570 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 12.175 -8.417 2.043 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 13.525 -9.241 2.661 1.00 3.08 H new ATOM 802 N LEU A 53 12.043 -2.191 6.964 1.00 1.12 N ATOM 803 CA LEU A 53 12.262 -0.716 6.930 1.00 1.33 C ATOM 804 C LEU A 53 11.480 -0.033 8.058 1.00 1.30 C ATOM 805 O LEU A 53 11.437 1.178 8.140 1.00 1.50 O ATOM 806 CB LEU A 53 11.743 -0.261 5.561 1.00 1.55 C ATOM 807 CG LEU A 53 10.250 -0.576 5.439 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.437 0.690 5.719 1.00 2.07 C ATOM 809 CD2 LEU A 53 9.948 -1.070 4.022 1.00 1.82 C ATOM 0 H LEU A 53 11.074 -2.481 7.098 1.00 1.12 H new ATOM 0 HA LEU A 53 13.311 -0.456 7.072 1.00 1.33 H new ATOM 0 HB2 LEU A 53 11.909 0.809 5.437 1.00 1.55 H new ATOM 0 HB3 LEU A 53 12.296 -0.764 4.767 1.00 1.55 H new ATOM 0 HG LEU A 53 9.982 -1.348 6.160 1.00 1.47 H new ATOM 0 HD11 LEU A 53 8.374 0.466 5.632 1.00 2.07 H new ATOM 0 HD12 LEU A 53 9.652 1.045 6.727 1.00 2.07 H new ATOM 0 HD13 LEU A 53 9.705 1.462 4.998 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.885 -1.295 3.934 1.00 1.82 H new ATOM 0 HD22 LEU A 53 10.216 -0.297 3.302 1.00 1.82 H new ATOM 0 HD23 LEU A 53 10.527 -1.971 3.820 1.00 1.82 H new ATOM 821 N LYS A 54 10.876 -0.790 8.942 1.00 1.20 N ATOM 822 CA LYS A 54 10.123 -0.157 10.066 1.00 1.35 C ATOM 823 C LYS A 54 11.039 0.836 10.778 1.00 1.40 C ATOM 824 O LYS A 54 10.649 1.934 11.120 1.00 1.67 O ATOM 825 CB LYS A 54 9.750 -1.309 11.000 1.00 1.46 C ATOM 826 CG LYS A 54 8.431 -0.985 11.703 1.00 1.91 C ATOM 827 CD LYS A 54 8.359 -1.743 13.030 1.00 2.50 C ATOM 828 CE LYS A 54 7.721 -0.849 14.095 1.00 2.87 C ATOM 829 NZ LYS A 54 7.453 -1.754 15.246 1.00 3.88 N ATOM 0 H LYS A 54 10.872 -1.810 8.933 1.00 1.20 H new ATOM 0 HA LYS A 54 9.238 0.385 9.732 1.00 1.35 H new ATOM 0 HB2 LYS A 54 9.655 -2.235 10.433 1.00 1.46 H new ATOM 0 HB3 LYS A 54 10.539 -1.465 11.736 1.00 1.46 H new ATOM 0 HG2 LYS A 54 8.355 0.088 11.880 1.00 1.91 H new ATOM 0 HG3 LYS A 54 7.590 -1.263 11.067 1.00 1.91 H new ATOM 0 HD2 LYS A 54 7.775 -2.655 12.909 1.00 2.50 H new ATOM 0 HD3 LYS A 54 9.359 -2.044 13.344 1.00 2.50 H new ATOM 0 HE2 LYS A 54 8.389 -0.036 14.379 1.00 2.87 H new ATOM 0 HE3 LYS A 54 6.801 -0.393 13.729 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 7.014 -1.213 16.018 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 6.810 -2.514 14.947 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 8.348 -2.168 15.578 1.00 3.88 H new ATOM 843 N ALA A 55 12.269 0.454 10.973 1.00 1.63 N ATOM 844 CA ALA A 55 13.243 1.364 11.628 1.00 2.20 C ATOM 845 C ALA A 55 14.011 2.126 10.548 1.00 2.03 C ATOM 846 O ALA A 55 14.352 3.282 10.710 1.00 2.38 O ATOM 847 CB ALA A 55 14.180 0.448 12.418 1.00 2.78 C ATOM 0 H ALA A 55 12.642 -0.456 10.704 1.00 1.63 H new ATOM 0 HA ALA A 55 12.770 2.099 12.279 1.00 2.20 H new ATOM 0 HB1 ALA A 55 14.930 1.050 12.931 1.00 2.78 H new ATOM 0 HB2 ALA A 55 13.604 -0.117 13.151 1.00 2.78 H new ATOM 0 HB3 ALA A 55 14.674 -0.243 11.735 1.00 2.78 H new ATOM 853 N GLU A 56 14.275 1.484 9.440 1.00 1.67 N ATOM 854 CA GLU A 56 15.009 2.164 8.338 1.00 1.70 C ATOM 855 C GLU A 56 14.615 1.558 6.986 1.00 1.53 C ATOM 856 O GLU A 56 13.506 1.746 6.533 1.00 1.98 O ATOM 857 CB GLU A 56 16.483 1.946 8.658 1.00 1.99 C ATOM 858 CG GLU A 56 16.873 2.925 9.748 1.00 2.69 C ATOM 859 CD GLU A 56 18.396 2.967 9.889 1.00 3.21 C ATOM 860 OE1 GLU A 56 18.995 1.907 9.952 1.00 3.64 O ATOM 861 OE2 GLU A 56 18.936 4.061 9.933 1.00 3.63 O ATOM 0 H GLU A 56 14.012 0.516 9.253 1.00 1.67 H new ATOM 0 HA GLU A 56 14.777 3.227 8.265 1.00 1.70 H new ATOM 0 HB2 GLU A 56 16.655 0.921 8.987 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.094 2.102 7.769 1.00 1.99 H new ATOM 0 HG2 GLU A 56 16.494 3.919 9.509 1.00 2.69 H new ATOM 0 HG3 GLU A 56 16.419 2.629 10.694 1.00 2.69 H new ATOM 868 N GLY A 57 15.490 0.842 6.324 1.00 1.58 N ATOM 869 CA GLY A 57 15.120 0.252 5.005 1.00 2.25 C ATOM 870 C GLY A 57 15.031 1.357 3.945 1.00 1.97 C ATOM 871 O GLY A 57 15.670 1.293 2.913 1.00 2.50 O ATOM 0 H GLY A 57 16.439 0.642 6.640 1.00 1.58 H new ATOM 0 HA2 GLY A 57 15.861 -0.490 4.708 1.00 2.25 H new ATOM 0 HA3 GLY A 57 14.164 -0.266 5.084 1.00 2.25 H new ATOM 875 N SER A 58 14.235 2.364 4.185 1.00 1.30 N ATOM 876 CA SER A 58 14.089 3.464 3.196 1.00 1.23 C ATOM 877 C SER A 58 13.248 4.585 3.790 1.00 1.03 C ATOM 878 O SER A 58 13.071 4.684 4.987 1.00 1.27 O ATOM 879 CB SER A 58 13.370 2.832 2.009 1.00 1.53 C ATOM 880 OG SER A 58 14.216 2.868 0.869 1.00 2.13 O ATOM 0 H SER A 58 13.676 2.470 5.032 1.00 1.30 H new ATOM 0 HA SER A 58 15.047 3.897 2.909 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.098 1.802 2.241 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.443 3.368 1.804 1.00 1.53 H new ATOM 0 HG SER A 58 15.047 2.387 1.063 1.00 2.13 H new ATOM 886 N GLU A 59 12.732 5.426 2.955 1.00 0.85 N ATOM 887 CA GLU A 59 11.895 6.554 3.451 1.00 0.87 C ATOM 888 C GLU A 59 10.483 6.445 2.880 1.00 0.76 C ATOM 889 O GLU A 59 9.846 7.434 2.575 1.00 1.06 O ATOM 890 CB GLU A 59 12.586 7.818 2.942 1.00 1.10 C ATOM 891 CG GLU A 59 12.708 7.750 1.419 1.00 1.05 C ATOM 892 CD GLU A 59 12.957 9.154 0.865 1.00 1.58 C ATOM 893 OE1 GLU A 59 12.084 9.993 1.017 1.00 2.22 O ATOM 894 OE2 GLU A 59 14.017 9.367 0.301 1.00 2.13 O ATOM 0 H GLU A 59 12.850 5.387 1.943 1.00 0.85 H new ATOM 0 HA GLU A 59 11.802 6.555 4.537 1.00 0.87 H new ATOM 0 HB2 GLU A 59 12.016 8.700 3.233 1.00 1.10 H new ATOM 0 HB3 GLU A 59 13.574 7.913 3.393 1.00 1.10 H new ATOM 0 HG2 GLU A 59 13.526 7.086 1.138 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.797 7.334 0.989 1.00 1.05 H new ATOM 901 N ILE A 60 9.990 5.247 2.727 1.00 0.59 N ATOM 902 CA ILE A 60 8.617 5.076 2.169 1.00 0.57 C ATOM 903 C ILE A 60 7.673 4.555 3.265 1.00 0.52 C ATOM 904 O ILE A 60 8.100 4.197 4.344 1.00 0.63 O ATOM 905 CB ILE A 60 8.739 4.078 0.977 1.00 0.68 C ATOM 906 CG1 ILE A 60 8.635 2.612 1.445 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.066 4.271 0.229 1.00 1.34 C ATOM 908 CD1 ILE A 60 9.834 2.248 2.320 1.00 1.60 C ATOM 0 H ILE A 60 10.475 4.382 2.963 1.00 0.59 H new ATOM 0 HA ILE A 60 8.198 6.019 1.817 1.00 0.57 H new ATOM 0 HB ILE A 60 7.908 4.292 0.305 1.00 0.68 H new ATOM 0 HG12 ILE A 60 7.711 2.466 2.004 1.00 1.46 H new ATOM 0 HG13 ILE A 60 8.593 1.949 0.581 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.124 3.562 -0.597 1.00 1.34 H new ATOM 0 HG22 ILE A 60 10.120 5.288 -0.161 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.897 4.100 0.913 1.00 1.34 H new ATOM 0 HD11 ILE A 60 9.747 1.211 2.643 1.00 1.60 H new ATOM 0 HD12 ILE A 60 10.753 2.374 1.748 1.00 1.60 H new ATOM 0 HD13 ILE A 60 9.858 2.899 3.194 1.00 1.60 H new ATOM 920 N ARG A 61 6.400 4.511 2.993 1.00 0.45 N ATOM 921 CA ARG A 61 5.437 4.014 4.016 1.00 0.45 C ATOM 922 C ARG A 61 4.377 3.128 3.355 1.00 0.41 C ATOM 923 O ARG A 61 3.798 3.484 2.349 1.00 0.55 O ATOM 924 CB ARG A 61 4.801 5.275 4.603 1.00 0.51 C ATOM 925 CG ARG A 61 3.693 4.886 5.581 1.00 0.75 C ATOM 926 CD ARG A 61 4.102 5.283 7.002 1.00 0.97 C ATOM 927 NE ARG A 61 5.363 4.535 7.259 1.00 1.30 N ATOM 928 CZ ARG A 61 5.610 4.063 8.451 1.00 1.66 C ATOM 929 NH1 ARG A 61 5.437 4.817 9.501 1.00 2.21 N ATOM 930 NH2 ARG A 61 6.029 2.835 8.591 1.00 2.19 N ATOM 0 H ARG A 61 5.983 4.797 2.107 1.00 0.45 H new ATOM 0 HA ARG A 61 5.920 3.409 4.783 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.557 5.871 5.114 1.00 0.51 H new ATOM 0 HB3 ARG A 61 4.393 5.894 3.804 1.00 0.51 H new ATOM 0 HG2 ARG A 61 2.762 5.382 5.308 1.00 0.75 H new ATOM 0 HG3 ARG A 61 3.509 3.813 5.531 1.00 0.75 H new ATOM 0 HD2 ARG A 61 4.257 6.359 7.083 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.330 5.017 7.724 1.00 0.97 H new ATOM 0 HE ARG A 61 6.034 4.391 6.504 1.00 1.30 H new ATOM 0 HH11 ARG A 61 5.108 5.776 9.391 1.00 2.21 H new ATOM 0 HH12 ARG A 61 5.630 4.447 10.432 1.00 2.21 H new ATOM 0 HH21 ARG A 61 6.163 2.245 7.770 1.00 2.19 H new ATOM 0 HH22 ARG A 61 6.222 2.465 9.522 1.00 2.19 H new ATOM 944 N LEU A 62 4.125 1.974 3.912 1.00 0.35 N ATOM 945 CA LEU A 62 3.105 1.067 3.312 1.00 0.36 C ATOM 946 C LEU A 62 1.758 1.241 4.017 1.00 0.32 C ATOM 947 O LEU A 62 1.691 1.679 5.148 1.00 0.38 O ATOM 948 CB LEU A 62 3.651 -0.344 3.534 1.00 0.48 C ATOM 949 CG LEU A 62 4.768 -0.622 2.526 1.00 0.73 C ATOM 950 CD1 LEU A 62 6.039 -1.030 3.274 1.00 1.22 C ATOM 951 CD2 LEU A 62 4.342 -1.754 1.589 1.00 1.59 C ATOM 0 H LEU A 62 4.580 1.621 4.754 1.00 0.35 H new ATOM 0 HA LEU A 62 2.936 1.277 2.256 1.00 0.36 H new ATOM 0 HB2 LEU A 62 4.031 -0.443 4.551 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.852 -1.077 3.420 1.00 0.48 H new ATOM 0 HG LEU A 62 4.962 0.278 1.942 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.835 -1.228 2.557 1.00 1.22 H new ATOM 0 HD12 LEU A 62 6.344 -0.223 3.941 1.00 1.22 H new ATOM 0 HD13 LEU A 62 5.845 -1.929 3.858 1.00 1.22 H new ATOM 0 HD21 LEU A 62 5.138 -1.951 0.871 1.00 1.59 H new ATOM 0 HD22 LEU A 62 4.147 -2.654 2.171 1.00 1.59 H new ATOM 0 HD23 LEU A 62 3.437 -1.464 1.056 1.00 1.59 H new ATOM 963 N ALA A 63 0.681 0.904 3.357 1.00 0.30 N ATOM 964 CA ALA A 63 -0.659 1.056 3.996 1.00 0.32 C ATOM 965 C ALA A 63 -1.622 -0.022 3.489 1.00 0.31 C ATOM 966 O ALA A 63 -1.388 -0.653 2.478 1.00 0.37 O ATOM 967 CB ALA A 63 -1.142 2.445 3.578 1.00 0.37 C ATOM 0 H ALA A 63 0.671 0.532 2.407 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.610 0.948 5.080 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.125 2.633 4.009 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.439 3.197 3.935 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.207 2.496 2.491 1.00 0.37 H new ATOM 973 N LYS A 64 -2.708 -0.233 4.186 1.00 0.30 N ATOM 974 CA LYS A 64 -3.693 -1.266 3.748 1.00 0.32 C ATOM 975 C LYS A 64 -5.118 -0.726 3.897 1.00 0.32 C ATOM 976 O LYS A 64 -5.370 0.176 4.670 1.00 0.40 O ATOM 977 CB LYS A 64 -3.468 -2.452 4.687 1.00 0.38 C ATOM 978 CG LYS A 64 -2.189 -3.188 4.285 1.00 1.39 C ATOM 979 CD LYS A 64 -2.312 -4.668 4.656 1.00 1.60 C ATOM 980 CE LYS A 64 -2.200 -4.825 6.174 1.00 2.04 C ATOM 981 NZ LYS A 64 -2.367 -6.286 6.420 1.00 2.26 N ATOM 0 H LYS A 64 -2.956 0.266 5.040 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.564 -1.546 2.702 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -3.391 -2.104 5.717 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.320 -3.131 4.643 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -2.019 -3.084 3.213 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -1.329 -2.746 4.789 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -3.267 -5.063 4.308 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -1.530 -5.244 4.162 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -1.236 -4.470 6.538 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.967 -4.247 6.689 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -2.303 -6.476 7.441 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.296 -6.593 6.069 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -1.619 -6.810 5.923 1.00 2.26 H new ATOM 995 N VAL A 65 -6.052 -1.266 3.161 1.00 0.30 N ATOM 996 CA VAL A 65 -7.456 -0.774 3.267 1.00 0.32 C ATOM 997 C VAL A 65 -8.436 -1.943 3.207 1.00 0.31 C ATOM 998 O VAL A 65 -8.200 -2.933 2.544 1.00 0.36 O ATOM 999 CB VAL A 65 -7.657 0.135 2.057 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.092 0.670 2.056 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.673 1.303 2.127 1.00 0.70 C ATOM 0 H VAL A 65 -5.905 -2.023 2.494 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.631 -0.253 4.208 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.480 -0.431 1.142 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.238 1.319 1.193 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -9.791 -0.164 2.004 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.270 1.236 2.970 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -6.817 1.952 1.263 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -6.847 1.871 3.041 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.653 0.920 2.127 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.540 -1.830 3.887 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.543 -2.929 3.859 1.00 0.39 C ATOM 1013 C ASP A 66 -11.661 -2.583 2.873 1.00 0.40 C ATOM 1014 O ASP A 66 -12.605 -1.895 3.205 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.084 -3.009 5.287 1.00 0.47 C ATOM 1016 CG ASP A 66 -9.978 -3.501 6.224 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -8.914 -2.903 6.219 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -10.213 -4.468 6.931 1.00 1.30 O ATOM 0 H ASP A 66 -9.792 -1.025 4.461 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.116 -3.879 3.538 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.439 -2.030 5.608 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -11.937 -3.686 5.327 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.557 -3.049 1.656 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.609 -2.743 0.638 1.00 0.46 C ATOM 1025 C ALA A 67 -14.006 -3.003 1.208 1.00 0.51 C ATOM 1026 O ALA A 67 -14.976 -2.396 0.800 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.320 -3.693 -0.524 1.00 0.51 C ATOM 0 H ALA A 67 -10.788 -3.629 1.321 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.588 -1.697 0.331 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.051 -3.532 -1.316 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.319 -3.502 -0.910 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.384 -4.724 -0.176 1.00 0.51 H new ATOM 1033 N THR A 68 -14.115 -3.895 2.153 1.00 0.53 N ATOM 1034 CA THR A 68 -15.449 -4.186 2.751 1.00 0.62 C ATOM 1035 C THR A 68 -15.785 -3.140 3.818 1.00 0.64 C ATOM 1036 O THR A 68 -16.930 -2.952 4.179 1.00 0.86 O ATOM 1037 CB THR A 68 -15.308 -5.572 3.381 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.005 -5.712 3.927 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.536 -6.642 2.312 1.00 1.35 C ATOM 0 H THR A 68 -13.339 -4.435 2.537 1.00 0.53 H new ATOM 0 HA THR A 68 -16.250 -4.156 2.013 1.00 0.62 H new ATOM 0 HB THR A 68 -16.047 -5.690 4.174 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.059 -5.720 4.905 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.436 -7.631 2.760 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.537 -6.532 1.895 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.798 -6.527 1.518 1.00 1.35 H new ATOM 1047 N GLU A 69 -14.794 -2.458 4.325 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.053 -1.426 5.367 1.00 0.61 C ATOM 1049 C GLU A 69 -14.852 -0.023 4.783 1.00 0.57 C ATOM 1050 O GLU A 69 -15.693 0.843 4.925 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.023 -1.708 6.461 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.613 -1.338 7.822 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.856 -2.079 8.926 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -12.701 -1.753 9.145 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -14.442 -2.960 9.531 1.00 2.22 O ATOM 0 H GLU A 69 -13.815 -2.572 4.062 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.074 -1.465 5.748 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -13.742 -2.761 6.448 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.115 -1.134 6.278 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -14.545 -0.262 7.979 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.671 -1.598 7.854 1.00 0.83 H new ATOM 1062 N GLU A 70 -13.748 0.209 4.125 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.504 1.556 3.533 1.00 0.57 C ATOM 1064 C GLU A 70 -13.807 1.536 2.032 1.00 0.72 C ATOM 1065 O GLU A 70 -13.091 2.111 1.236 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.022 1.837 3.779 1.00 0.71 C ATOM 1067 CG GLU A 70 -11.789 2.068 5.273 1.00 1.05 C ATOM 1068 CD GLU A 70 -10.697 1.118 5.772 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -9.865 0.731 4.970 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.713 0.797 6.949 1.00 1.89 O ATOM 0 H GLU A 70 -13.006 -0.474 3.972 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.141 2.323 3.975 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.419 0.998 3.431 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -11.708 2.713 3.211 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.495 3.102 5.450 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -12.713 1.900 5.826 1.00 1.05 H new ATOM 1077 N SER A 71 -14.862 0.876 1.641 1.00 0.55 N ATOM 1078 CA SER A 71 -15.214 0.812 0.192 1.00 0.66 C ATOM 1079 C SER A 71 -15.267 2.222 -0.408 1.00 0.70 C ATOM 1080 O SER A 71 -15.128 2.403 -1.601 1.00 0.94 O ATOM 1081 CB SER A 71 -16.598 0.162 0.146 1.00 0.79 C ATOM 1082 OG SER A 71 -16.723 -0.767 1.217 1.00 1.48 O ATOM 0 H SER A 71 -15.498 0.377 2.263 1.00 0.55 H new ATOM 0 HA SER A 71 -14.478 0.250 -0.383 1.00 0.66 H new ATOM 0 HB2 SER A 71 -17.372 0.925 0.221 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.741 -0.345 -0.808 1.00 0.79 H new ATOM 0 HG SER A 71 -15.892 -1.278 1.305 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.471 3.221 0.407 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.534 4.616 -0.122 1.00 0.71 C ATOM 1090 C ASP A 72 -14.296 4.921 -0.966 1.00 0.68 C ATOM 1091 O ASP A 72 -14.357 5.645 -1.941 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.570 5.511 1.117 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.024 5.764 1.522 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.579 4.927 2.215 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -17.556 6.791 1.134 1.00 1.83 O ATOM 0 H ASP A 72 -15.597 3.133 1.415 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.401 4.772 -0.764 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.030 5.037 1.937 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.069 6.457 0.910 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.172 4.376 -0.598 1.00 0.63 N ATOM 1101 CA LEU A 73 -11.927 4.633 -1.378 1.00 0.68 C ATOM 1102 C LEU A 73 -11.939 3.820 -2.672 1.00 0.60 C ATOM 1103 O LEU A 73 -11.801 4.350 -3.755 1.00 0.64 O ATOM 1104 CB LEU A 73 -10.786 4.176 -0.467 1.00 0.83 C ATOM 1105 CG LEU A 73 -10.888 4.892 0.882 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -9.731 4.450 1.781 1.00 0.97 C ATOM 1107 CD2 LEU A 73 -10.817 6.405 0.665 1.00 1.22 C ATOM 0 H LEU A 73 -13.059 3.763 0.209 1.00 0.63 H new ATOM 0 HA LEU A 73 -11.826 5.681 -1.662 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.833 3.097 -0.322 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -9.825 4.393 -0.934 1.00 0.83 H new ATOM 0 HG LEU A 73 -11.836 4.639 1.357 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -9.802 4.959 2.742 1.00 0.97 H new ATOM 0 HD12 LEU A 73 -9.782 3.372 1.936 1.00 0.97 H new ATOM 0 HD13 LEU A 73 -8.783 4.703 1.306 1.00 0.97 H new ATOM 0 HD21 LEU A 73 -10.890 6.914 1.626 1.00 1.22 H new ATOM 0 HD22 LEU A 73 -9.870 6.660 0.190 1.00 1.22 H new ATOM 0 HD23 LEU A 73 -11.641 6.720 0.024 1.00 1.22 H new ATOM 1119 N ALA A 74 -12.104 2.534 -2.562 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.127 1.675 -3.781 1.00 0.56 C ATOM 1121 C ALA A 74 -13.247 2.122 -4.726 1.00 0.59 C ATOM 1122 O ALA A 74 -13.124 2.038 -5.932 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.397 0.263 -3.259 1.00 0.60 C ATOM 0 H ALA A 74 -12.224 2.037 -1.679 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.197 1.733 -4.346 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.430 -0.434 -4.096 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.602 -0.030 -2.574 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.352 0.245 -2.735 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.336 2.597 -4.187 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.462 3.048 -5.054 1.00 0.76 C ATOM 1131 C GLN A 75 -15.097 4.355 -5.765 1.00 0.78 C ATOM 1132 O GLN A 75 -15.506 4.601 -6.882 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.633 3.267 -4.096 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.265 1.919 -3.745 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.715 2.135 -3.310 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.633 1.855 -4.055 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -18.963 2.625 -2.126 1.00 2.40 N ATOM 0 H GLN A 75 -14.495 2.692 -3.184 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.700 2.323 -5.832 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.287 3.765 -3.190 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -17.375 3.920 -4.555 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.228 1.252 -4.607 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -16.702 1.438 -2.945 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -18.193 2.860 -1.500 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -19.927 2.773 -1.827 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.332 5.196 -5.124 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.944 6.486 -5.764 1.00 0.84 C ATOM 1148 C GLN A 76 -12.869 6.250 -6.829 1.00 0.83 C ATOM 1149 O GLN A 76 -12.745 7.001 -7.776 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.391 7.341 -4.623 1.00 0.89 C ATOM 1151 CG GLN A 76 -14.093 8.701 -4.619 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.588 9.533 -3.439 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -12.624 10.264 -3.563 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -14.202 9.454 -2.291 1.00 1.97 N ATOM 0 H GLN A 76 -13.959 5.046 -4.186 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.784 6.967 -6.266 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.545 6.837 -3.669 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.316 7.475 -4.743 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -13.900 9.224 -5.555 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -15.172 8.565 -4.546 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -15.011 8.841 -2.186 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -13.874 10.005 -1.498 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.089 5.216 -6.678 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.021 4.934 -7.676 1.00 0.81 C ATOM 1165 C TYR A 77 -11.526 3.943 -8.729 1.00 0.83 C ATOM 1166 O TYR A 77 -11.075 3.939 -9.858 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.879 4.322 -6.863 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.491 5.258 -5.739 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -9.375 6.633 -5.979 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -9.252 4.749 -4.458 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -9.022 7.498 -4.937 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -8.898 5.613 -3.416 1.00 1.56 C ATOM 1173 CZ TYR A 77 -8.783 6.988 -3.655 1.00 1.05 C ATOM 1174 OH TYR A 77 -8.437 7.839 -2.623 1.00 1.22 O ATOM 0 H TYR A 77 -12.146 4.553 -5.905 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.707 5.829 -8.213 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.186 3.358 -6.456 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.020 4.137 -7.508 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -9.558 7.026 -6.968 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -9.341 3.689 -4.273 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -8.934 8.558 -5.122 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -8.713 5.219 -2.427 1.00 1.56 H new ATOM 0 HH TYR A 77 -7.594 7.541 -2.222 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.460 3.107 -8.370 1.00 0.78 N ATOM 1185 CA GLY A 78 -12.994 2.120 -9.351 1.00 0.87 C ATOM 1186 C GLY A 78 -12.023 0.945 -9.481 1.00 0.88 C ATOM 1187 O GLY A 78 -11.331 0.808 -10.471 1.00 1.52 O ATOM 0 H GLY A 78 -12.877 3.064 -7.440 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -13.971 1.762 -9.026 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -13.135 2.597 -10.321 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.967 0.095 -8.493 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.041 -1.073 -8.565 1.00 0.79 C ATOM 1193 C VAL A 79 -11.675 -2.196 -9.393 1.00 1.13 C ATOM 1194 O VAL A 79 -12.869 -2.215 -9.617 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.842 -1.514 -7.113 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.331 -0.332 -6.286 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -12.171 -2.002 -6.533 1.00 1.30 C ATOM 0 H VAL A 79 -12.521 0.158 -7.639 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.094 -0.823 -9.043 1.00 0.79 H new ATOM 0 HB VAL A 79 -10.115 -2.325 -7.081 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.189 -0.646 -5.252 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -9.381 0.014 -6.694 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -11.058 0.479 -6.323 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -12.024 -2.315 -5.499 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -12.902 -1.194 -6.567 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -12.536 -2.846 -7.119 1.00 1.30 H new ATOM 1207 N ARG A 80 -10.886 -3.130 -9.851 1.00 1.27 N ATOM 1208 CA ARG A 80 -11.444 -4.243 -10.663 1.00 1.72 C ATOM 1209 C ARG A 80 -11.585 -5.510 -9.812 1.00 1.38 C ATOM 1210 O ARG A 80 -12.349 -6.400 -10.132 1.00 1.87 O ATOM 1211 CB ARG A 80 -10.421 -4.455 -11.778 1.00 2.38 C ATOM 1212 CG ARG A 80 -9.078 -4.867 -11.172 1.00 2.85 C ATOM 1213 CD ARG A 80 -8.732 -6.290 -11.617 1.00 3.49 C ATOM 1214 NE ARG A 80 -7.943 -6.121 -12.868 1.00 4.06 N ATOM 1215 CZ ARG A 80 -7.083 -7.036 -13.225 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -7.502 -8.176 -13.703 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -5.803 -6.811 -13.104 1.00 5.25 N ATOM 0 H ARG A 80 -9.879 -3.168 -9.696 1.00 1.27 H new ATOM 0 HA ARG A 80 -12.437 -4.017 -11.051 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -10.772 -5.224 -12.466 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -10.304 -3.539 -12.357 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -8.297 -4.176 -11.488 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -9.127 -4.817 -10.084 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -8.155 -6.813 -10.854 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -9.632 -6.878 -11.795 1.00 3.49 H new ATOM 0 HE ARG A 80 -8.074 -5.291 -13.446 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -8.502 -8.353 -13.798 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -6.829 -8.890 -13.982 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -5.475 -5.920 -12.731 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -5.131 -7.526 -13.383 1.00 5.25 H new ATOM 1231 N GLY A 81 -10.855 -5.601 -8.735 1.00 0.87 N ATOM 1232 CA GLY A 81 -10.951 -6.811 -7.870 1.00 0.81 C ATOM 1233 C GLY A 81 -9.785 -6.822 -6.877 1.00 0.74 C ATOM 1234 O GLY A 81 -8.767 -6.197 -7.097 1.00 1.17 O ATOM 0 H GLY A 81 -10.196 -4.890 -8.416 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -11.900 -6.813 -7.333 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -10.929 -7.712 -8.483 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.928 -7.522 -5.784 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.830 -7.566 -4.776 1.00 0.52 C ATOM 1240 C TYR A 82 -7.934 -8.793 -5.029 1.00 0.54 C ATOM 1241 O TYR A 82 -8.390 -9.771 -5.587 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.526 -7.685 -3.410 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.676 -6.706 -3.312 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.526 -5.403 -3.802 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.887 -7.100 -2.727 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -11.584 -4.493 -3.707 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.945 -6.190 -2.634 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.813 -4.905 -3.137 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.838 -3.988 -3.028 1.00 0.85 O ATOM 0 H TYR A 82 -10.758 -8.065 -5.546 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.194 -6.682 -4.826 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.894 -8.702 -3.270 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.809 -7.493 -2.612 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -9.593 -5.100 -4.254 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.003 -8.105 -2.349 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -11.464 -3.482 -4.066 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.871 -6.491 -2.167 1.00 1.04 H new ATOM 0 HH TYR A 82 -14.618 -4.417 -2.619 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.681 -8.715 -4.615 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.138 -7.511 -3.933 1.00 0.51 C ATOM 1261 C PRO A 83 -5.759 -6.438 -4.959 1.00 0.51 C ATOM 1262 O PRO A 83 -5.163 -6.725 -5.978 1.00 0.63 O ATOM 1263 CB PRO A 83 -4.897 -8.031 -3.220 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.466 -9.240 -3.994 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.664 -9.764 -4.751 1.00 0.64 C ATOM 0 HA PRO A 83 -6.854 -7.047 -3.255 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.111 -7.277 -3.201 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.118 -8.287 -2.184 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.662 -8.984 -4.684 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.077 -10.004 -3.321 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.422 -9.947 -5.798 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.012 -10.709 -4.335 1.00 0.64 H new ATOM 1273 N THR A 84 -6.093 -5.206 -4.694 1.00 0.45 N ATOM 1274 CA THR A 84 -5.742 -4.119 -5.652 1.00 0.45 C ATOM 1275 C THR A 84 -4.621 -3.257 -5.070 1.00 0.43 C ATOM 1276 O THR A 84 -4.861 -2.321 -4.332 1.00 0.52 O ATOM 1277 CB THR A 84 -7.023 -3.298 -5.820 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.151 -4.160 -5.744 1.00 0.67 O ATOM 1279 CG2 THR A 84 -7.007 -2.593 -7.176 1.00 0.56 C ATOM 0 H THR A 84 -6.593 -4.904 -3.858 1.00 0.45 H new ATOM 0 HA THR A 84 -5.387 -4.507 -6.607 1.00 0.45 H new ATOM 0 HB THR A 84 -7.082 -2.552 -5.027 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.132 -4.790 -6.494 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.920 -2.009 -7.293 1.00 0.56 H new ATOM 0 HG22 THR A 84 -6.143 -1.931 -7.232 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.947 -3.336 -7.972 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.396 -3.571 -5.389 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.255 -2.774 -4.846 1.00 0.41 C ATOM 1289 C ILE A 85 -2.079 -1.483 -5.651 1.00 0.41 C ATOM 1290 O ILE A 85 -2.307 -1.447 -6.844 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.008 -3.659 -5.002 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.286 -5.092 -4.518 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.129 -3.067 -4.171 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.880 -5.062 -3.110 1.00 1.27 C ATOM 0 H ILE A 85 -3.134 -4.344 -6.001 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.426 -2.494 -3.806 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.736 -3.694 -6.057 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.975 -5.588 -5.202 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -0.362 -5.671 -4.520 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.018 -3.689 -4.276 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.348 -2.058 -4.521 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.167 -3.031 -3.123 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.074 -6.081 -2.775 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -1.177 -4.584 -2.428 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -2.814 -4.500 -3.121 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.667 -0.422 -5.008 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.468 0.862 -5.742 1.00 0.40 C ATOM 1308 C LYS A 86 -0.399 1.713 -5.044 1.00 0.38 C ATOM 1309 O LYS A 86 -0.380 1.836 -3.836 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.825 1.562 -5.697 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.402 1.646 -7.112 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.760 2.351 -7.070 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.867 1.339 -7.368 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.751 1.065 -8.828 1.00 1.73 N ATOM 0 H LYS A 86 -1.460 -0.389 -4.010 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.127 0.702 -6.765 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.507 1.015 -5.046 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.717 2.562 -5.277 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -2.718 2.190 -7.763 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -3.513 0.646 -7.531 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.918 2.802 -6.090 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.785 3.160 -7.800 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.738 0.428 -6.783 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -6.849 1.742 -7.118 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -6.688 1.147 -9.272 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -5.102 1.753 -9.260 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -5.382 0.103 -8.973 1.00 1.73 H new ATOM 1328 N PHE A 87 0.491 2.300 -5.799 1.00 0.37 N ATOM 1329 CA PHE A 87 1.559 3.141 -5.179 1.00 0.36 C ATOM 1330 C PHE A 87 1.318 4.623 -5.491 1.00 0.33 C ATOM 1331 O PHE A 87 1.125 5.005 -6.628 1.00 0.37 O ATOM 1332 CB PHE A 87 2.865 2.654 -5.820 1.00 0.42 C ATOM 1333 CG PHE A 87 4.011 3.559 -5.418 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.125 3.993 -4.090 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.957 3.962 -6.368 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.185 4.829 -3.716 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.015 4.798 -5.993 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.129 5.237 -4.680 1.00 0.72 C ATOM 0 H PHE A 87 0.526 2.234 -6.816 1.00 0.37 H new ATOM 0 HA PHE A 87 1.581 3.051 -4.093 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.073 1.631 -5.508 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.764 2.642 -6.905 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.396 3.683 -3.356 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.870 3.627 -7.391 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.279 5.160 -2.692 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.746 5.103 -6.727 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.941 5.891 -4.398 1.00 0.72 H new ATOM 1348 N PHE A 88 1.333 5.459 -4.487 1.00 0.33 N ATOM 1349 CA PHE A 88 1.111 6.911 -4.719 1.00 0.35 C ATOM 1350 C PHE A 88 2.408 7.686 -4.474 1.00 0.42 C ATOM 1351 O PHE A 88 3.364 7.157 -3.941 1.00 0.61 O ATOM 1352 CB PHE A 88 0.045 7.304 -3.701 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.291 6.774 -4.157 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.887 7.284 -5.316 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -1.932 5.766 -3.426 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.123 6.788 -5.744 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.168 5.269 -3.855 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.764 5.781 -5.014 1.00 0.62 C ATOM 0 H PHE A 88 1.490 5.195 -3.514 1.00 0.33 H new ATOM 0 HA PHE A 88 0.802 7.132 -5.741 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.295 6.900 -2.720 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.004 8.388 -3.598 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.392 8.061 -5.880 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.473 5.372 -2.531 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.583 7.182 -6.638 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.662 4.491 -3.292 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.718 5.399 -5.344 1.00 0.62 H new ATOM 1368 N ARG A 89 2.455 8.933 -4.860 1.00 0.47 N ATOM 1369 CA ARG A 89 3.700 9.727 -4.647 1.00 0.55 C ATOM 1370 C ARG A 89 3.368 11.200 -4.378 1.00 0.64 C ATOM 1371 O ARG A 89 2.952 11.925 -5.259 1.00 1.05 O ATOM 1372 CB ARG A 89 4.481 9.586 -5.953 1.00 0.73 C ATOM 1373 CG ARG A 89 5.836 10.284 -5.816 1.00 1.15 C ATOM 1374 CD ARG A 89 6.859 9.604 -6.729 1.00 1.42 C ATOM 1375 NE ARG A 89 7.106 10.581 -7.824 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.882 10.261 -8.823 1.00 2.07 C ATOM 1377 NH1 ARG A 89 8.921 9.498 -8.622 1.00 2.56 N ATOM 1378 NH2 ARG A 89 7.620 10.705 -10.022 1.00 2.43 N ATOM 0 H ARG A 89 1.690 9.434 -5.311 1.00 0.47 H new ATOM 0 HA ARG A 89 4.266 9.375 -3.785 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.625 8.532 -6.191 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.916 10.024 -6.776 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.742 11.337 -6.080 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.174 10.244 -4.781 1.00 1.15 H new ATOM 0 HD2 ARG A 89 7.778 9.374 -6.190 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.475 8.662 -7.120 1.00 1.42 H new ATOM 0 HE ARG A 89 6.668 11.502 -7.794 1.00 1.73 H new ATOM 0 HH11 ARG A 89 9.126 9.152 -7.685 1.00 2.56 H new ATOM 0 HH12 ARG A 89 9.528 9.247 -9.402 1.00 2.56 H new ATOM 0 HH21 ARG A 89 6.808 11.303 -10.179 1.00 2.43 H new ATOM 0 HH22 ARG A 89 8.227 10.455 -10.803 1.00 2.43 H new ATOM 1392 N ASN A 90 3.564 11.646 -3.165 1.00 0.57 N ATOM 1393 CA ASN A 90 3.277 13.074 -2.829 1.00 0.68 C ATOM 1394 C ASN A 90 1.899 13.498 -3.349 1.00 0.69 C ATOM 1395 O ASN A 90 1.785 14.355 -4.203 1.00 0.98 O ATOM 1396 CB ASN A 90 4.376 13.872 -3.531 1.00 0.87 C ATOM 1397 CG ASN A 90 4.294 15.338 -3.103 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.919 15.637 -1.986 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.632 16.272 -3.949 1.00 1.74 N ATOM 0 H ASN A 90 3.912 11.082 -2.389 1.00 0.57 H new ATOM 0 HA ASN A 90 3.265 13.239 -1.752 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.354 13.463 -3.280 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.265 13.791 -4.612 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.582 17.253 -3.673 1.00 1.74 H new ATOM 0 HD22 ASN A 90 4.947 16.022 -4.886 1.00 1.74 H new ATOM 1406 N GLY A 91 0.850 12.911 -2.837 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.520 13.287 -3.297 1.00 0.75 C ATOM 1408 C GLY A 91 -0.588 13.266 -4.826 1.00 0.79 C ATOM 1409 O GLY A 91 -0.572 14.294 -5.474 1.00 1.19 O ATOM 0 H GLY A 91 0.882 12.187 -2.119 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.253 12.595 -2.883 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.776 14.280 -2.928 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.666 12.103 -5.405 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.739 12.014 -6.893 1.00 1.27 C ATOM 1415 C ASP A 92 -2.185 12.199 -7.361 1.00 1.14 C ATOM 1416 O ASP A 92 -2.483 13.086 -8.137 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.237 10.610 -7.230 1.00 1.93 C ATOM 1418 CG ASP A 92 -0.046 10.484 -8.744 1.00 2.15 C ATOM 1419 OD1 ASP A 92 -0.601 11.299 -9.462 1.00 2.68 O ATOM 1420 OD2 ASP A 92 0.654 9.574 -9.158 1.00 2.41 O ATOM 0 H ASP A 92 -0.683 11.209 -4.915 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.146 12.785 -7.385 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.705 10.416 -6.717 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.950 9.864 -6.880 1.00 1.93 H new ATOM 1425 N THR A 93 -3.081 11.364 -6.892 1.00 0.96 N ATOM 1426 CA THR A 93 -4.522 11.468 -7.296 1.00 1.33 C ATOM 1427 C THR A 93 -4.659 11.723 -8.801 1.00 1.26 C ATOM 1428 O THR A 93 -5.414 12.573 -9.231 1.00 1.90 O ATOM 1429 CB THR A 93 -5.089 12.646 -6.495 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.201 13.751 -6.571 1.00 2.10 O ATOM 1431 CG2 THR A 93 -5.266 12.230 -5.034 1.00 1.92 C ATOM 0 H THR A 93 -2.875 10.607 -6.240 1.00 0.96 H new ATOM 0 HA THR A 93 -5.059 10.541 -7.092 1.00 1.33 H new ATOM 0 HB THR A 93 -6.054 12.934 -6.911 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.841 13.819 -7.480 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.669 13.067 -4.464 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.954 11.387 -4.977 1.00 1.92 H new ATOM 0 HG23 THR A 93 -4.301 11.939 -4.619 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.935 10.993 -9.603 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.022 11.191 -11.079 1.00 1.18 C ATOM 1441 C ALA A 94 -3.357 10.021 -11.805 1.00 1.14 C ATOM 1442 O ALA A 94 -4.015 9.126 -12.297 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.266 12.492 -11.349 1.00 1.24 C ATOM 0 H ALA A 94 -3.286 10.267 -9.301 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.052 11.240 -11.432 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.284 12.708 -12.417 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.741 13.308 -10.805 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.233 12.388 -11.018 1.00 1.24 H new ATOM 1449 N SER A 95 -2.056 10.020 -11.872 1.00 1.20 N ATOM 1450 CA SER A 95 -1.343 8.907 -12.562 1.00 1.22 C ATOM 1451 C SER A 95 -0.575 8.061 -11.538 1.00 0.98 C ATOM 1452 O SER A 95 0.633 8.153 -11.446 1.00 0.98 O ATOM 1453 CB SER A 95 -0.375 9.592 -13.527 1.00 1.48 C ATOM 1454 OG SER A 95 0.043 8.663 -14.516 1.00 2.01 O ATOM 0 H SER A 95 -1.453 10.743 -11.478 1.00 1.20 H new ATOM 0 HA SER A 95 -2.027 8.236 -13.082 1.00 1.22 H new ATOM 0 HB2 SER A 95 -0.859 10.448 -13.998 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.489 9.974 -12.983 1.00 1.48 H new ATOM 0 HG SER A 95 0.662 9.102 -15.136 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.303 7.262 -10.794 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.667 6.399 -9.767 1.00 0.72 C ATOM 1462 C PRO A 96 0.094 5.246 -10.425 1.00 0.65 C ATOM 1463 O PRO A 96 -0.033 4.998 -11.608 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.848 5.875 -8.956 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.017 5.943 -9.888 1.00 0.97 C ATOM 1466 CD PRO A 96 -2.763 7.086 -10.833 1.00 1.02 C ATOM 0 HA PRO A 96 0.062 6.932 -9.157 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.672 4.854 -8.617 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.016 6.482 -8.066 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.128 5.007 -10.436 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.943 6.099 -9.334 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.111 6.856 -11.840 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.283 7.990 -10.515 1.00 1.02 H new ATOM 1474 N LYS A 97 0.881 4.537 -9.664 1.00 0.55 N ATOM 1475 CA LYS A 97 1.649 3.396 -10.239 1.00 0.57 C ATOM 1476 C LYS A 97 1.032 2.069 -9.789 1.00 0.53 C ATOM 1477 O LYS A 97 0.326 2.006 -8.803 1.00 0.89 O ATOM 1478 CB LYS A 97 3.064 3.549 -9.680 1.00 0.68 C ATOM 1479 CG LYS A 97 3.866 4.493 -10.579 1.00 0.85 C ATOM 1480 CD LYS A 97 4.042 3.858 -11.960 1.00 1.63 C ATOM 1481 CE LYS A 97 5.201 4.539 -12.693 1.00 2.05 C ATOM 1482 NZ LYS A 97 5.611 3.570 -13.747 1.00 2.61 N ATOM 0 H LYS A 97 1.026 4.698 -8.667 1.00 0.55 H new ATOM 0 HA LYS A 97 1.641 3.397 -11.329 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.025 3.942 -8.664 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.553 2.576 -9.627 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.352 5.450 -10.670 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.840 4.696 -10.134 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.239 2.791 -11.858 1.00 1.63 H new ATOM 0 HD3 LYS A 97 3.123 3.959 -12.538 1.00 1.63 H new ATOM 0 HE2 LYS A 97 4.889 5.488 -13.129 1.00 2.05 H new ATOM 0 HE3 LYS A 97 6.025 4.756 -12.013 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 6.403 3.966 -14.293 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 5.909 2.678 -13.302 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 4.808 3.388 -14.383 1.00 2.61 H new ATOM 1496 N GLU A 98 1.289 1.009 -10.505 1.00 0.51 N ATOM 1497 CA GLU A 98 0.709 -0.307 -10.112 1.00 0.48 C ATOM 1498 C GLU A 98 1.814 -1.259 -9.647 1.00 0.45 C ATOM 1499 O GLU A 98 2.946 -1.176 -10.081 1.00 0.61 O ATOM 1500 CB GLU A 98 0.038 -0.841 -11.378 1.00 0.61 C ATOM 1501 CG GLU A 98 1.064 -0.904 -12.511 1.00 1.33 C ATOM 1502 CD GLU A 98 0.915 -2.230 -13.262 1.00 2.10 C ATOM 1503 OE1 GLU A 98 1.487 -3.209 -12.812 1.00 2.79 O ATOM 1504 OE2 GLU A 98 0.233 -2.242 -14.272 1.00 2.61 O ATOM 0 H GLU A 98 1.873 0.996 -11.341 1.00 0.51 H new ATOM 0 HA GLU A 98 0.004 -0.214 -9.286 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.376 -1.832 -11.193 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -0.794 -0.196 -11.661 1.00 0.61 H new ATOM 0 HG2 GLU A 98 0.918 -0.068 -13.195 1.00 1.33 H new ATOM 0 HG3 GLU A 98 2.073 -0.813 -12.108 1.00 1.33 H new ATOM 1511 N TYR A 99 1.489 -2.164 -8.766 1.00 0.45 N ATOM 1512 CA TYR A 99 2.512 -3.127 -8.267 1.00 0.46 C ATOM 1513 C TYR A 99 2.516 -4.385 -9.139 1.00 0.53 C ATOM 1514 O TYR A 99 1.637 -5.218 -9.046 1.00 0.67 O ATOM 1515 CB TYR A 99 2.068 -3.459 -6.843 1.00 0.52 C ATOM 1516 CG TYR A 99 3.072 -4.381 -6.194 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.430 -4.042 -6.192 1.00 1.58 C ATOM 1518 CD2 TYR A 99 2.649 -5.577 -5.601 1.00 1.20 C ATOM 1519 CE1 TYR A 99 5.365 -4.898 -5.597 1.00 2.05 C ATOM 1520 CE2 TYR A 99 3.584 -6.433 -5.005 1.00 1.49 C ATOM 1521 CZ TYR A 99 4.928 -6.091 -4.977 1.00 1.70 C ATOM 1522 OH TYR A 99 5.865 -6.940 -4.417 1.00 2.27 O ATOM 0 H TYR A 99 0.557 -2.279 -8.369 1.00 0.45 H new ATOM 0 HA TYR A 99 3.522 -2.719 -8.296 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.972 -2.543 -6.260 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.086 -3.931 -6.860 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.757 -3.120 -6.650 1.00 1.58 H new ATOM 0 HD2 TYR A 99 1.601 -5.840 -5.603 1.00 1.20 H new ATOM 0 HE1 TYR A 99 6.416 -4.648 -5.612 1.00 2.05 H new ATOM 0 HE2 TYR A 99 3.257 -7.364 -4.565 1.00 1.49 H new ATOM 0 HH TYR A 99 5.408 -7.649 -3.919 1.00 2.27 H new ATOM 1532 N THR A 100 3.497 -4.527 -9.987 1.00 0.60 N ATOM 1533 CA THR A 100 3.553 -5.729 -10.868 1.00 0.72 C ATOM 1534 C THR A 100 3.911 -6.974 -10.050 1.00 0.83 C ATOM 1535 O THR A 100 3.233 -7.980 -10.107 1.00 1.71 O ATOM 1536 CB THR A 100 4.650 -5.420 -11.889 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.887 -5.242 -11.213 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.293 -4.141 -12.650 1.00 1.13 C ATOM 0 H THR A 100 4.262 -3.864 -10.108 1.00 0.60 H new ATOM 0 HA THR A 100 2.596 -5.934 -11.348 1.00 0.72 H new ATOM 0 HB THR A 100 4.737 -6.248 -12.593 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.784 -4.561 -10.516 1.00 1.36 H new ATOM 0 HG21 THR A 100 5.074 -3.920 -13.377 1.00 1.13 H new ATOM 0 HG22 THR A 100 3.344 -4.279 -13.167 1.00 1.13 H new ATOM 0 HG23 THR A 100 4.207 -3.312 -11.948 1.00 1.13 H new ATOM 1546 N ALA A 101 4.972 -6.915 -9.291 1.00 0.83 N ATOM 1547 CA ALA A 101 5.370 -8.099 -8.473 1.00 1.01 C ATOM 1548 C ALA A 101 4.227 -8.508 -7.539 1.00 1.36 C ATOM 1549 O ALA A 101 3.126 -8.003 -7.630 1.00 1.98 O ATOM 1550 CB ALA A 101 6.581 -7.633 -7.666 1.00 0.87 C ATOM 0 H ALA A 101 5.580 -6.101 -9.201 1.00 0.83 H new ATOM 0 HA ALA A 101 5.600 -8.968 -9.090 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.935 -8.449 -7.036 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.376 -7.329 -8.346 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.297 -6.788 -7.039 1.00 0.87 H new ATOM 1556 N GLY A 102 4.481 -9.422 -6.641 1.00 1.17 N ATOM 1557 CA GLY A 102 3.410 -9.862 -5.703 1.00 1.71 C ATOM 1558 C GLY A 102 3.611 -11.335 -5.345 1.00 1.08 C ATOM 1559 O GLY A 102 2.771 -12.170 -5.617 1.00 1.27 O ATOM 0 H GLY A 102 5.383 -9.882 -6.517 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.431 -9.252 -4.800 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.431 -9.719 -6.161 1.00 1.71 H new ATOM 1563 N ARG A 103 4.715 -11.658 -4.733 1.00 0.90 N ATOM 1564 CA ARG A 103 4.971 -13.077 -4.350 1.00 1.11 C ATOM 1565 C ARG A 103 5.362 -13.159 -2.875 1.00 0.94 C ATOM 1566 O ARG A 103 4.956 -14.055 -2.161 1.00 1.04 O ATOM 1567 CB ARG A 103 6.131 -13.528 -5.239 1.00 1.71 C ATOM 1568 CG ARG A 103 5.686 -14.718 -6.093 1.00 2.44 C ATOM 1569 CD ARG A 103 6.809 -15.097 -7.061 1.00 3.16 C ATOM 1570 NE ARG A 103 6.332 -14.642 -8.396 1.00 3.73 N ATOM 1571 CZ ARG A 103 6.994 -14.969 -9.472 1.00 4.34 C ATOM 1572 NH1 ARG A 103 7.079 -16.221 -9.830 1.00 4.84 N ATOM 1573 NH2 ARG A 103 7.569 -14.045 -10.191 1.00 4.81 N ATOM 0 H ARG A 103 5.453 -11.001 -4.480 1.00 0.90 H new ATOM 0 HA ARG A 103 4.091 -13.706 -4.483 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.453 -12.707 -5.880 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.987 -13.807 -4.625 1.00 1.71 H new ATOM 0 HG2 ARG A 103 5.440 -15.566 -5.454 1.00 2.44 H new ATOM 0 HG3 ARG A 103 4.783 -14.464 -6.648 1.00 2.44 H new ATOM 0 HD2 ARG A 103 7.746 -14.611 -6.789 1.00 3.16 H new ATOM 0 HD3 ARG A 103 6.993 -16.171 -7.052 1.00 3.16 H new ATOM 0 HE ARG A 103 5.488 -14.075 -8.470 1.00 3.73 H new ATOM 0 HH11 ARG A 103 6.628 -16.944 -9.269 1.00 4.84 H new ATOM 0 HH12 ARG A 103 7.596 -16.477 -10.671 1.00 4.84 H new ATOM 0 HH21 ARG A 103 7.501 -13.066 -9.912 1.00 4.81 H new ATOM 0 HH22 ARG A 103 8.086 -14.301 -11.032 1.00 4.81 H new ATOM 1587 N GLU A 104 6.144 -12.226 -2.414 1.00 0.75 N ATOM 1588 CA GLU A 104 6.563 -12.239 -0.983 1.00 0.66 C ATOM 1589 C GLU A 104 7.041 -10.847 -0.567 1.00 0.56 C ATOM 1590 O GLU A 104 7.296 -9.995 -1.396 1.00 0.57 O ATOM 1591 CB GLU A 104 7.710 -13.248 -0.910 1.00 0.79 C ATOM 1592 CG GLU A 104 8.799 -12.864 -1.914 1.00 1.59 C ATOM 1593 CD GLU A 104 9.918 -13.906 -1.875 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.604 -15.084 -1.877 1.00 2.51 O ATOM 1595 OE2 GLU A 104 11.070 -13.506 -1.841 1.00 2.04 O ATOM 0 H GLU A 104 6.513 -11.452 -2.966 1.00 0.75 H new ATOM 0 HA GLU A 104 5.746 -12.510 -0.314 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.123 -13.271 0.098 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.340 -14.250 -1.126 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.378 -12.804 -2.918 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.197 -11.878 -1.675 1.00 1.59 H new ATOM 1602 N ALA A 105 7.156 -10.604 0.712 1.00 0.50 N ATOM 1603 CA ALA A 105 7.610 -9.263 1.190 1.00 0.44 C ATOM 1604 C ALA A 105 8.849 -8.796 0.415 1.00 0.45 C ATOM 1605 O ALA A 105 9.083 -7.614 0.254 1.00 0.47 O ATOM 1606 CB ALA A 105 7.950 -9.470 2.664 1.00 0.47 C ATOM 0 H ALA A 105 6.954 -11.279 1.450 1.00 0.50 H new ATOM 0 HA ALA A 105 6.847 -8.498 1.043 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.294 -8.529 3.094 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.063 -9.810 3.198 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.737 -10.219 2.754 1.00 0.47 H new ATOM 1612 N ASP A 106 9.641 -9.714 -0.067 1.00 0.51 N ATOM 1613 CA ASP A 106 10.858 -9.316 -0.829 1.00 0.56 C ATOM 1614 C ASP A 106 10.459 -8.599 -2.118 1.00 0.54 C ATOM 1615 O ASP A 106 11.076 -7.633 -2.520 1.00 0.64 O ATOM 1616 CB ASP A 106 11.581 -10.628 -1.141 1.00 0.67 C ATOM 1617 CG ASP A 106 12.934 -10.647 -0.428 1.00 1.18 C ATOM 1618 OD1 ASP A 106 13.601 -9.625 -0.438 1.00 2.02 O ATOM 1619 OD2 ASP A 106 13.281 -11.683 0.115 1.00 1.82 O ATOM 0 H ASP A 106 9.499 -10.719 0.033 1.00 0.51 H new ATOM 0 HA ASP A 106 11.492 -8.630 -0.268 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.976 -11.475 -0.818 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.723 -10.730 -2.217 1.00 0.67 H new ATOM 1624 N ASP A 107 9.425 -9.058 -2.763 1.00 0.50 N ATOM 1625 CA ASP A 107 8.979 -8.395 -4.019 1.00 0.52 C ATOM 1626 C ASP A 107 8.431 -7.004 -3.698 1.00 0.51 C ATOM 1627 O ASP A 107 8.471 -6.103 -4.511 1.00 0.63 O ATOM 1628 CB ASP A 107 7.875 -9.296 -4.575 1.00 0.55 C ATOM 1629 CG ASP A 107 8.455 -10.195 -5.669 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.647 -10.450 -5.627 1.00 1.41 O ATOM 1631 OD2 ASP A 107 7.698 -10.614 -6.528 1.00 1.39 O ATOM 0 H ASP A 107 8.869 -9.863 -2.475 1.00 0.50 H new ATOM 0 HA ASP A 107 9.790 -8.265 -4.736 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.450 -9.904 -3.776 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.065 -8.689 -4.979 1.00 0.55 H new ATOM 1636 N ILE A 108 7.924 -6.827 -2.510 1.00 0.46 N ATOM 1637 CA ILE A 108 7.375 -5.498 -2.119 1.00 0.52 C ATOM 1638 C ILE A 108 8.508 -4.474 -2.008 1.00 0.50 C ATOM 1639 O ILE A 108 8.403 -3.362 -2.489 1.00 0.52 O ATOM 1640 CB ILE A 108 6.727 -5.727 -0.753 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.624 -6.785 -0.879 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.128 -4.413 -0.242 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.499 -6.265 -1.778 1.00 0.68 C ATOM 0 H ILE A 108 7.866 -7.548 -1.790 1.00 0.46 H new ATOM 0 HA ILE A 108 6.664 -5.111 -2.849 1.00 0.52 H new ATOM 0 HB ILE A 108 7.481 -6.076 -0.048 1.00 0.60 H new ATOM 0 HG12 ILE A 108 6.037 -7.705 -1.294 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.229 -7.029 0.107 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.667 -4.578 0.732 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.916 -3.666 -0.148 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.374 -4.059 -0.945 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.720 -7.023 -1.862 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.077 -5.358 -1.345 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.897 -6.043 -2.768 1.00 0.68 H new ATOM 1655 N VAL A 109 9.590 -4.838 -1.374 1.00 0.51 N ATOM 1656 CA VAL A 109 10.723 -3.879 -1.229 1.00 0.56 C ATOM 1657 C VAL A 109 11.450 -3.698 -2.566 1.00 0.51 C ATOM 1658 O VAL A 109 11.847 -2.607 -2.924 1.00 0.55 O ATOM 1659 CB VAL A 109 11.654 -4.516 -0.197 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.862 -3.604 0.030 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.903 -4.702 1.123 1.00 0.86 C ATOM 0 H VAL A 109 9.738 -5.754 -0.952 1.00 0.51 H new ATOM 0 HA VAL A 109 10.383 -2.891 -0.920 1.00 0.56 H new ATOM 0 HB VAL A 109 11.992 -5.486 -0.563 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.527 -4.057 0.766 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.398 -3.470 -0.909 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.523 -2.635 0.396 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.567 -5.156 1.859 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.565 -3.733 1.489 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.041 -5.350 0.963 1.00 0.86 H new ATOM 1671 N ASN A 110 11.634 -4.759 -3.304 1.00 0.50 N ATOM 1672 CA ASN A 110 12.343 -4.642 -4.612 1.00 0.52 C ATOM 1673 C ASN A 110 11.624 -3.648 -5.523 1.00 0.50 C ATOM 1674 O ASN A 110 12.244 -2.922 -6.274 1.00 0.59 O ATOM 1675 CB ASN A 110 12.312 -6.048 -5.210 1.00 0.59 C ATOM 1676 CG ASN A 110 13.460 -6.870 -4.623 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.036 -6.499 -3.620 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.820 -7.979 -5.208 1.00 1.29 N ATOM 0 H ASN A 110 11.325 -5.700 -3.059 1.00 0.50 H new ATOM 0 HA ASN A 110 13.363 -4.275 -4.495 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.358 -6.527 -4.993 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.403 -5.997 -6.295 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.585 -8.534 -4.823 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.337 -8.291 -6.050 1.00 1.29 H new ATOM 1685 N TRP A 111 10.326 -3.593 -5.451 1.00 0.46 N ATOM 1686 CA TRP A 111 9.584 -2.628 -6.304 1.00 0.51 C ATOM 1687 C TRP A 111 9.584 -1.260 -5.622 1.00 0.55 C ATOM 1688 O TRP A 111 9.470 -0.232 -6.258 1.00 0.66 O ATOM 1689 CB TRP A 111 8.165 -3.187 -6.405 1.00 0.55 C ATOM 1690 CG TRP A 111 7.628 -2.924 -7.775 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.680 -3.794 -8.808 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.961 -1.729 -8.277 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.090 -3.210 -9.915 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.630 -1.938 -9.638 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.615 -0.498 -7.692 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.979 -0.959 -10.390 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.960 0.489 -8.447 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.644 0.259 -9.793 1.00 1.14 C ATOM 0 H TRP A 111 9.749 -4.172 -4.841 1.00 0.46 H new ATOM 0 HA TRP A 111 10.028 -2.504 -7.292 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.168 -4.258 -6.202 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.524 -2.723 -5.655 1.00 0.55 H new ATOM 0 HD1 TRP A 111 8.112 -4.783 -8.775 1.00 0.73 H new ATOM 0 HE1 TRP A 111 7.005 -3.664 -10.825 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.854 -0.310 -6.656 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.736 -1.142 -11.426 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.698 1.431 -7.988 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.142 1.023 -10.368 1.00 1.14 H new ATOM 1709 N LEU A 112 9.722 -1.250 -4.323 1.00 0.55 N ATOM 1710 CA LEU A 112 9.747 0.038 -3.582 1.00 0.65 C ATOM 1711 C LEU A 112 11.134 0.678 -3.689 1.00 0.65 C ATOM 1712 O LEU A 112 11.272 1.885 -3.705 1.00 0.75 O ATOM 1713 CB LEU A 112 9.439 -0.347 -2.136 1.00 0.74 C ATOM 1714 CG LEU A 112 8.125 0.302 -1.700 1.00 0.86 C ATOM 1715 CD1 LEU A 112 8.238 1.822 -1.830 1.00 1.10 C ATOM 1716 CD2 LEU A 112 6.988 -0.205 -2.590 1.00 1.49 C ATOM 0 H LEU A 112 9.819 -2.084 -3.744 1.00 0.55 H new ATOM 0 HA LEU A 112 9.035 0.764 -3.974 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.368 -1.431 -2.045 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.250 -0.024 -1.483 1.00 0.74 H new ATOM 0 HG LEU A 112 7.917 0.043 -0.662 1.00 0.86 H new ATOM 0 HD11 LEU A 112 7.301 2.284 -1.519 1.00 1.10 H new ATOM 0 HD12 LEU A 112 9.048 2.182 -1.196 1.00 1.10 H new ATOM 0 HD13 LEU A 112 8.445 2.084 -2.868 1.00 1.10 H new ATOM 0 HD21 LEU A 112 6.050 0.257 -2.281 1.00 1.49 H new ATOM 0 HD22 LEU A 112 7.195 0.055 -3.628 1.00 1.49 H new ATOM 0 HD23 LEU A 112 6.908 -1.288 -2.496 1.00 1.49 H new ATOM 1728 N LYS A 113 12.167 -0.123 -3.762 1.00 0.62 N ATOM 1729 CA LYS A 113 13.543 0.445 -3.867 1.00 0.70 C ATOM 1730 C LYS A 113 13.952 0.609 -5.338 1.00 0.75 C ATOM 1731 O LYS A 113 14.970 1.196 -5.643 1.00 1.01 O ATOM 1732 CB LYS A 113 14.445 -0.574 -3.174 1.00 0.79 C ATOM 1733 CG LYS A 113 15.008 0.034 -1.888 1.00 1.42 C ATOM 1734 CD LYS A 113 15.385 -1.085 -0.915 1.00 1.84 C ATOM 1735 CE LYS A 113 15.580 -0.501 0.486 1.00 2.39 C ATOM 1736 NZ LYS A 113 15.827 -1.681 1.363 1.00 2.86 N ATOM 0 H LYS A 113 12.116 -1.142 -3.753 1.00 0.62 H new ATOM 0 HA LYS A 113 13.611 1.433 -3.412 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.881 -1.478 -2.945 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.259 -0.866 -3.838 1.00 0.79 H new ATOM 0 HG2 LYS A 113 15.883 0.643 -2.114 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.270 0.693 -1.432 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.604 -1.845 -0.898 1.00 1.84 H new ATOM 0 HD3 LYS A 113 16.300 -1.576 -1.246 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.420 0.193 0.511 1.00 2.39 H new ATOM 0 HE3 LYS A 113 14.699 0.054 0.809 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 15.970 -1.362 2.342 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 15.008 -2.320 1.324 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.676 -2.185 1.036 1.00 2.86 H new ATOM 1750 N LYS A 114 13.171 0.094 -6.254 1.00 0.71 N ATOM 1751 CA LYS A 114 13.531 0.226 -7.697 1.00 0.89 C ATOM 1752 C LYS A 114 13.413 1.686 -8.143 1.00 1.07 C ATOM 1753 O LYS A 114 14.331 2.249 -8.706 1.00 1.31 O ATOM 1754 CB LYS A 114 12.514 -0.644 -8.440 1.00 0.92 C ATOM 1755 CG LYS A 114 13.222 -1.862 -9.039 1.00 1.45 C ATOM 1756 CD LYS A 114 13.447 -1.639 -10.537 1.00 1.77 C ATOM 1757 CE LYS A 114 12.167 -1.983 -11.303 1.00 2.49 C ATOM 1758 NZ LYS A 114 12.345 -3.400 -11.731 1.00 3.00 N ATOM 0 H LYS A 114 12.304 -0.410 -6.066 1.00 0.71 H new ATOM 0 HA LYS A 114 14.557 -0.084 -7.895 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.728 -0.967 -7.757 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.033 -0.066 -9.229 1.00 0.92 H new ATOM 0 HG2 LYS A 114 14.176 -2.024 -8.538 1.00 1.45 H new ATOM 0 HG3 LYS A 114 12.623 -2.758 -8.880 1.00 1.45 H new ATOM 0 HD2 LYS A 114 13.727 -0.602 -10.723 1.00 1.77 H new ATOM 0 HD3 LYS A 114 14.271 -2.260 -10.888 1.00 1.77 H new ATOM 0 HE2 LYS A 114 11.286 -1.869 -10.672 1.00 2.49 H new ATOM 0 HE3 LYS A 114 12.031 -1.325 -12.161 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 11.507 -3.710 -12.263 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 13.187 -3.477 -12.336 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 12.465 -4.003 -10.893 1.00 3.00 H new ATOM 1772 N ARG A 115 12.287 2.303 -7.902 1.00 1.09 N ATOM 1773 CA ARG A 115 12.109 3.724 -8.319 1.00 1.40 C ATOM 1774 C ARG A 115 13.060 4.634 -7.536 1.00 1.25 C ATOM 1775 O ARG A 115 13.584 5.597 -8.059 1.00 1.55 O ATOM 1776 CB ARG A 115 10.654 4.057 -7.988 1.00 1.86 C ATOM 1777 CG ARG A 115 9.738 3.465 -9.061 1.00 2.43 C ATOM 1778 CD ARG A 115 9.725 4.383 -10.286 1.00 2.92 C ATOM 1779 NE ARG A 115 9.673 3.464 -11.457 1.00 3.45 N ATOM 1780 CZ ARG A 115 10.749 3.244 -12.162 1.00 3.99 C ATOM 1781 NH1 ARG A 115 11.756 2.602 -11.636 1.00 4.52 N ATOM 1782 NH2 ARG A 115 10.817 3.666 -13.396 1.00 4.34 N ATOM 0 H ARG A 115 11.483 1.884 -7.434 1.00 1.09 H new ATOM 0 HA ARG A 115 12.331 3.872 -9.376 1.00 1.40 H new ATOM 0 HB2 ARG A 115 10.392 3.656 -7.009 1.00 1.86 H new ATOM 0 HB3 ARG A 115 10.520 5.137 -7.936 1.00 1.86 H new ATOM 0 HG2 ARG A 115 10.085 2.471 -9.342 1.00 2.43 H new ATOM 0 HG3 ARG A 115 8.728 3.351 -8.669 1.00 2.43 H new ATOM 0 HD2 ARG A 115 8.863 5.050 -10.270 1.00 2.92 H new ATOM 0 HD3 ARG A 115 10.615 5.012 -10.317 1.00 2.92 H new ATOM 0 HE ARG A 115 8.796 3.007 -11.708 1.00 3.45 H new ATOM 0 HH11 ARG A 115 11.703 2.271 -10.673 1.00 4.52 H new ATOM 0 HH12 ARG A 115 12.596 2.431 -12.188 1.00 4.52 H new ATOM 0 HH21 ARG A 115 10.030 4.167 -13.808 1.00 4.34 H new ATOM 0 HH22 ARG A 115 11.657 3.495 -13.948 1.00 4.34 H new ATOM 1796 N THR A 116 13.286 4.336 -6.288 1.00 1.09 N ATOM 1797 CA THR A 116 14.201 5.183 -5.470 1.00 1.33 C ATOM 1798 C THR A 116 15.546 5.348 -6.182 1.00 1.97 C ATOM 1799 O THR A 116 15.938 6.439 -6.543 1.00 2.63 O ATOM 1800 CB THR A 116 14.379 4.420 -4.155 1.00 1.60 C ATOM 1801 OG1 THR A 116 13.191 3.698 -3.856 1.00 2.17 O ATOM 1802 CG2 THR A 116 14.667 5.412 -3.029 1.00 1.81 C ATOM 0 H THR A 116 12.877 3.541 -5.797 1.00 1.09 H new ATOM 0 HA THR A 116 13.803 6.185 -5.308 1.00 1.33 H new ATOM 0 HB THR A 116 15.211 3.722 -4.251 1.00 1.60 H new ATOM 0 HG1 THR A 116 13.174 3.477 -2.901 1.00 2.17 H new ATOM 0 HG21 THR A 116 14.794 4.871 -2.091 1.00 1.81 H new ATOM 0 HG22 THR A 116 15.579 5.965 -3.256 1.00 1.81 H new ATOM 0 HG23 THR A 116 13.834 6.109 -2.936 1.00 1.81 H new ATOM 1810 N GLY A 117 16.255 4.273 -6.388 1.00 2.26 N ATOM 1811 CA GLY A 117 17.571 4.372 -7.078 1.00 3.23 C ATOM 1812 C GLY A 117 18.623 3.578 -6.295 1.00 3.72 C ATOM 1813 O GLY A 117 18.298 2.895 -5.344 1.00 3.64 O ATOM 0 H GLY A 117 15.980 3.331 -6.109 1.00 2.26 H new ATOM 0 HA2 GLY A 117 17.490 3.985 -8.094 1.00 3.23 H new ATOM 0 HA3 GLY A 117 17.874 5.416 -7.158 1.00 3.23 H new ATOM 1817 N PRO A 118 19.858 3.690 -6.722 1.00 4.60 N ATOM 1818 CA PRO A 118 20.961 2.967 -6.043 1.00 5.37 C ATOM 1819 C PRO A 118 21.279 3.615 -4.694 1.00 5.55 C ATOM 1820 O PRO A 118 21.961 4.619 -4.621 1.00 5.89 O ATOM 1821 CB PRO A 118 22.136 3.112 -7.007 1.00 6.27 C ATOM 1822 CG PRO A 118 21.840 4.351 -7.793 1.00 6.17 C ATOM 1823 CD PRO A 118 20.341 4.487 -7.860 1.00 5.22 C ATOM 0 HA PRO A 118 20.719 1.926 -5.828 1.00 5.37 H new ATOM 0 HB2 PRO A 118 23.080 3.202 -6.469 1.00 6.27 H new ATOM 0 HB3 PRO A 118 22.222 2.242 -7.658 1.00 6.27 H new ATOM 0 HG2 PRO A 118 22.285 5.225 -7.317 1.00 6.17 H new ATOM 0 HG3 PRO A 118 22.265 4.283 -8.794 1.00 6.17 H new ATOM 0 HD2 PRO A 118 20.031 5.529 -7.777 1.00 5.22 H new ATOM 0 HD3 PRO A 118 19.948 4.112 -8.805 1.00 5.22 H new ATOM 1831 N ALA A 119 20.795 3.047 -3.623 1.00 5.74 N ATOM 1832 CA ALA A 119 21.073 3.626 -2.278 1.00 6.37 C ATOM 1833 C ALA A 119 20.678 5.105 -2.241 1.00 7.12 C ATOM 1834 O ALA A 119 19.845 5.555 -3.003 1.00 7.52 O ATOM 1835 CB ALA A 119 22.582 3.469 -2.084 1.00 6.62 C ATOM 0 H ALA A 119 20.218 2.206 -3.622 1.00 5.74 H new ATOM 0 HA ALA A 119 20.505 3.129 -1.491 1.00 6.37 H new ATOM 0 HB1 ALA A 119 22.868 3.873 -1.113 1.00 6.62 H new ATOM 0 HB2 ALA A 119 22.847 2.413 -2.130 1.00 6.62 H new ATOM 0 HB3 ALA A 119 23.108 4.009 -2.871 1.00 6.62 H new ATOM 1841 N ALA A 120 21.270 5.864 -1.360 1.00 7.64 N ATOM 1842 CA ALA A 120 20.929 7.312 -1.273 1.00 8.64 C ATOM 1843 C ALA A 120 22.178 8.165 -1.519 1.00 9.09 C ATOM 1844 O ALA A 120 22.055 9.379 -1.497 1.00 9.37 O ATOM 1845 CB ALA A 120 20.415 7.513 0.153 1.00 9.17 C ATOM 1846 OXT ALA A 120 23.233 7.589 -1.726 1.00 9.38 O ATOM 0 H ALA A 120 21.975 5.544 -0.696 1.00 7.64 H new ATOM 0 HA ALA A 120 20.190 7.608 -2.018 1.00 8.64 H new ATOM 0 HB1 ALA A 120 20.142 8.558 0.297 1.00 9.17 H new ATOM 0 HB2 ALA A 120 19.540 6.884 0.317 1.00 9.17 H new ATOM 0 HB3 ALA A 120 21.196 7.241 0.863 1.00 9.17 H new TER 1852 ALA A 120