USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 437 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 147 CYS SG : rot -162:sc= -0.67! USER MOD Set 1.2: A 150 CYS SG : rot -56:sc= -4.37! USER MOD Set 1.3: A 152 LYS NZ :NH3+ 172:sc= -2.36! (180deg=-3.61!) USER MOD Set 1.4: A 168 CYS SG : rot 78:sc= -4.93! USER MOD Set 1.5: A 171 CYS SG : rot 126:sc= 0.515 USER MOD Set 2.1: A 120 CYS SG : rot -119:sc= -2.03! USER MOD Set 2.2: A 123 CYS SG : rot 180:sc= 0.551 USER MOD Set 2.3: A 141 HIS :FLIP no HE2:sc= -2.63! C(o=-7.8!,f=-5.8!) USER MOD Set 2.4: A 143 THR OG1 : rot 65:sc= 0.426 USER MOD Set 2.5: A 144 CYS SG : rot -156:sc= -2.07! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -154:sc= -0.191 (180deg=-1) USER MOD Single : A 126 SER OG : rot 180:sc= -0.132 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 170:sc= -0.549 (180deg=-0.622) USER MOD Single : A 138 LYS NZ :NH3+ 168:sc= -0.632 (180deg=-1.08) USER MOD Single : A 142 LYS NZ :NH3+ 178:sc= 1.1 (180deg=1.08) USER MOD Single : A 153 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 156 SER OG : rot 180:sc= 0.321 USER MOD Single : A 157 THR OG1 : rot -22:sc= 0.139 USER MOD Single : A 158 ASN : amide:sc= -1 X(o=-1,f=-0.84) USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 165:sc= 1.2 (180deg=0.926) USER MOD Single : A 167 TYR OH : rot 180:sc= -0.0315 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 172 TYR OH : rot 180:sc= -0.0112 USER MOD Single : A 174 LYS NZ :NH3+ 143:sc= -0.919 (180deg=-2.88!) USER MOD Single : A 175 ASN : amide:sc= -1.2 K(o=-1.2,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 119 13.877 2.377 0.965 1.00 0.89 N ATOM 2 CA LYS A 119 14.133 1.217 0.134 1.00 0.80 C ATOM 3 C LYS A 119 12.974 0.227 0.193 1.00 0.78 C ATOM 4 O LYS A 119 12.221 0.193 1.166 1.00 0.90 O ATOM 5 CB LYS A 119 15.421 0.526 0.585 1.00 0.93 C ATOM 6 CG LYS A 119 16.649 1.413 0.477 1.00 1.51 C ATOM 7 CD LYS A 119 17.911 0.676 0.890 1.00 1.54 C ATOM 8 CE LYS A 119 17.909 0.330 2.376 1.00 2.16 C ATOM 9 NZ LYS A 119 19.164 -0.351 2.791 1.00 2.76 N ATOM 0 HA LYS A 119 14.240 1.558 -0.896 1.00 0.80 H new ATOM 0 HB2 LYS A 119 15.307 0.200 1.619 1.00 0.93 H new ATOM 0 HB3 LYS A 119 15.574 -0.370 -0.017 1.00 0.93 H new ATOM 0 HG2 LYS A 119 16.753 1.767 -0.549 1.00 1.51 H new ATOM 0 HG3 LYS A 119 16.519 2.293 1.107 1.00 1.51 H new ATOM 0 HD2 LYS A 119 18.005 -0.239 0.305 1.00 1.54 H new ATOM 0 HD3 LYS A 119 18.781 1.291 0.662 1.00 1.54 H new ATOM 0 HE2 LYS A 119 17.781 1.241 2.960 1.00 2.16 H new ATOM 0 HE3 LYS A 119 17.057 -0.313 2.597 1.00 2.16 H new ATOM 0 HZ1 LYS A 119 19.121 -0.568 3.807 1.00 2.76 H new ATOM 0 HZ2 LYS A 119 19.274 -1.234 2.252 1.00 2.76 H new ATOM 0 HZ3 LYS A 119 19.975 0.272 2.604 1.00 2.76 H new ATOM 23 N CYS A 120 12.830 -0.541 -0.874 1.00 0.70 N ATOM 24 CA CYS A 120 11.927 -1.677 -0.913 1.00 0.72 C ATOM 25 C CYS A 120 12.572 -2.840 -0.175 1.00 0.76 C ATOM 26 O CYS A 120 13.601 -3.354 -0.615 1.00 0.80 O ATOM 27 CB CYS A 120 11.642 -2.053 -2.376 1.00 0.67 C ATOM 28 SG CYS A 120 11.154 -3.790 -2.667 1.00 0.74 S ATOM 0 H CYS A 120 13.341 -0.392 -1.744 1.00 0.70 H new ATOM 0 HA CYS A 120 10.982 -1.428 -0.430 1.00 0.72 H new ATOM 0 HB2 CYS A 120 10.850 -1.405 -2.751 1.00 0.67 H new ATOM 0 HB3 CYS A 120 12.533 -1.841 -2.967 1.00 0.67 H new ATOM 0 HG CYS A 120 12.018 -4.357 -3.456 1.00 0.74 H new ATOM 33 N PRO A 121 11.995 -3.260 0.961 1.00 0.79 N ATOM 34 CA PRO A 121 12.538 -4.353 1.770 1.00 0.87 C ATOM 35 C PRO A 121 12.319 -5.730 1.137 1.00 0.90 C ATOM 36 O PRO A 121 12.569 -6.761 1.762 1.00 1.00 O ATOM 37 CB PRO A 121 11.784 -4.235 3.093 1.00 0.96 C ATOM 38 CG PRO A 121 10.504 -3.554 2.752 1.00 1.00 C ATOM 39 CD PRO A 121 10.779 -2.680 1.557 1.00 0.82 C ATOM 0 HA PRO A 121 13.620 -4.272 1.877 1.00 0.87 H new ATOM 0 HB2 PRO A 121 11.603 -5.216 3.532 1.00 0.96 H new ATOM 0 HB3 PRO A 121 12.355 -3.659 3.822 1.00 0.96 H new ATOM 0 HG2 PRO A 121 9.727 -4.284 2.526 1.00 1.00 H new ATOM 0 HG3 PRO A 121 10.148 -2.958 3.592 1.00 1.00 H new ATOM 0 HD2 PRO A 121 9.946 -2.692 0.854 1.00 0.82 H new ATOM 0 HD3 PRO A 121 10.935 -1.642 1.850 1.00 0.82 H new ATOM 47 N ARG A 122 11.852 -5.748 -0.104 1.00 0.86 N ATOM 48 CA ARG A 122 11.758 -6.990 -0.857 1.00 0.94 C ATOM 49 C ARG A 122 13.090 -7.228 -1.546 1.00 0.90 C ATOM 50 O ARG A 122 13.537 -8.362 -1.714 1.00 1.05 O ATOM 51 CB ARG A 122 10.665 -6.919 -1.926 1.00 0.98 C ATOM 52 CG ARG A 122 9.290 -6.520 -1.421 1.00 0.97 C ATOM 53 CD ARG A 122 8.577 -7.657 -0.709 1.00 1.11 C ATOM 54 NE ARG A 122 7.128 -7.450 -0.700 1.00 1.54 N ATOM 55 CZ ARG A 122 6.317 -7.852 0.274 1.00 1.95 C ATOM 56 NH1 ARG A 122 6.800 -8.468 1.346 1.00 2.03 N ATOM 57 NH2 ARG A 122 5.009 -7.647 0.176 1.00 2.82 N ATOM 0 H ARG A 122 11.534 -4.920 -0.608 1.00 0.86 H new ATOM 0 HA ARG A 122 11.511 -7.797 -0.167 1.00 0.94 H new ATOM 0 HB2 ARG A 122 10.974 -6.207 -2.691 1.00 0.98 H new ATOM 0 HB3 ARG A 122 10.588 -7.893 -2.409 1.00 0.98 H new ATOM 0 HG2 ARG A 122 9.388 -5.675 -0.740 1.00 0.97 H new ATOM 0 HG3 ARG A 122 8.682 -6.184 -2.261 1.00 0.97 H new ATOM 0 HD2 ARG A 122 8.809 -8.601 -1.202 1.00 1.11 H new ATOM 0 HD3 ARG A 122 8.942 -7.734 0.315 1.00 1.11 H new ATOM 0 HE ARG A 122 6.712 -6.964 -1.495 1.00 1.54 H new ATOM 0 HH11 ARG A 122 7.802 -8.637 1.429 1.00 2.03 H new ATOM 0 HH12 ARG A 122 6.169 -8.772 2.087 1.00 2.03 H new ATOM 0 HH21 ARG A 122 4.626 -7.181 -0.647 1.00 2.82 H new ATOM 0 HH22 ARG A 122 4.387 -7.955 0.923 1.00 2.82 H new ATOM 71 N CYS A 123 13.715 -6.124 -1.936 1.00 0.76 N ATOM 72 CA CYS A 123 14.952 -6.157 -2.693 1.00 0.78 C ATOM 73 C CYS A 123 16.113 -5.559 -1.905 1.00 0.76 C ATOM 74 O CYS A 123 17.270 -5.929 -2.101 1.00 0.86 O ATOM 75 CB CYS A 123 14.762 -5.368 -3.988 1.00 0.77 C ATOM 76 SG CYS A 123 13.333 -5.914 -4.973 1.00 0.88 S ATOM 0 H CYS A 123 13.376 -5.183 -1.735 1.00 0.76 H new ATOM 0 HA CYS A 123 15.193 -7.198 -2.907 1.00 0.78 H new ATOM 0 HB2 CYS A 123 14.643 -4.312 -3.746 1.00 0.77 H new ATOM 0 HB3 CYS A 123 15.664 -5.457 -4.593 1.00 0.77 H new ATOM 0 HG CYS A 123 13.246 -5.191 -6.050 1.00 0.88 H new ATOM 81 N GLY A 124 15.786 -4.641 -1.008 1.00 0.70 N ATOM 82 CA GLY A 124 16.798 -3.856 -0.336 1.00 0.73 C ATOM 83 C GLY A 124 17.252 -2.714 -1.220 1.00 0.71 C ATOM 84 O GLY A 124 18.379 -2.229 -1.111 1.00 0.85 O ATOM 0 H GLY A 124 14.828 -4.425 -0.732 1.00 0.70 H new ATOM 0 HA2 GLY A 124 16.401 -3.464 0.600 1.00 0.73 H new ATOM 0 HA3 GLY A 124 17.649 -4.488 -0.082 1.00 0.73 H new ATOM 88 N LYS A 125 16.349 -2.281 -2.097 1.00 0.61 N ATOM 89 CA LYS A 125 16.680 -1.305 -3.135 1.00 0.61 C ATOM 90 C LYS A 125 15.830 -0.048 -3.018 1.00 0.57 C ATOM 91 O LYS A 125 14.614 -0.129 -2.884 1.00 0.60 O ATOM 92 CB LYS A 125 16.480 -1.919 -4.520 1.00 0.63 C ATOM 93 CG LYS A 125 17.504 -2.976 -4.883 1.00 1.30 C ATOM 94 CD LYS A 125 17.379 -3.368 -6.343 1.00 1.71 C ATOM 95 CE LYS A 125 18.614 -4.099 -6.835 1.00 2.44 C ATOM 96 NZ LYS A 125 19.850 -3.306 -6.601 1.00 2.99 N ATOM 0 H LYS A 125 15.378 -2.592 -2.110 1.00 0.61 H new ATOM 0 HA LYS A 125 17.725 -1.028 -2.998 1.00 0.61 H new ATOM 0 HB2 LYS A 125 15.485 -2.361 -4.569 1.00 0.63 H new ATOM 0 HB3 LYS A 125 16.514 -1.125 -5.266 1.00 0.63 H new ATOM 0 HG2 LYS A 125 18.508 -2.599 -4.688 1.00 1.30 H new ATOM 0 HG3 LYS A 125 17.366 -3.854 -4.253 1.00 1.30 H new ATOM 0 HD2 LYS A 125 16.503 -4.003 -6.476 1.00 1.71 H new ATOM 0 HD3 LYS A 125 17.220 -2.475 -6.947 1.00 1.71 H new ATOM 0 HE2 LYS A 125 18.696 -5.059 -6.326 1.00 2.44 H new ATOM 0 HE3 LYS A 125 18.513 -4.310 -7.900 1.00 2.44 H new ATOM 0 HZ1 LYS A 125 20.575 -3.580 -7.295 1.00 2.99 H new ATOM 0 HZ2 LYS A 125 19.637 -2.293 -6.704 1.00 2.99 H new ATOM 0 HZ3 LYS A 125 20.203 -3.489 -5.640 1.00 2.99 H new ATOM 110 N SER A 126 16.481 1.106 -3.095 1.00 0.66 N ATOM 111 CA SER A 126 15.815 2.396 -2.949 1.00 0.68 C ATOM 112 C SER A 126 14.709 2.601 -3.986 1.00 0.57 C ATOM 113 O SER A 126 14.796 2.102 -5.112 1.00 0.66 O ATOM 114 CB SER A 126 16.847 3.511 -3.072 1.00 0.89 C ATOM 115 OG SER A 126 17.775 3.456 -2.004 1.00 1.37 O ATOM 0 H SER A 126 17.485 1.175 -3.260 1.00 0.66 H new ATOM 0 HA SER A 126 15.345 2.417 -1.966 1.00 0.68 H new ATOM 0 HB2 SER A 126 17.373 3.422 -4.022 1.00 0.89 H new ATOM 0 HB3 SER A 126 16.345 4.479 -3.075 1.00 0.89 H new ATOM 0 HG SER A 126 18.430 4.179 -2.102 1.00 1.37 H new ATOM 121 N VAL A 127 13.672 3.331 -3.590 1.00 0.52 N ATOM 122 CA VAL A 127 12.561 3.647 -4.480 1.00 0.45 C ATOM 123 C VAL A 127 12.310 5.149 -4.491 1.00 0.58 C ATOM 124 O VAL A 127 12.367 5.794 -3.443 1.00 0.80 O ATOM 125 CB VAL A 127 11.253 2.955 -4.042 1.00 0.50 C ATOM 126 CG1 VAL A 127 10.177 3.115 -5.104 1.00 0.63 C ATOM 127 CG2 VAL A 127 11.485 1.493 -3.732 1.00 0.71 C ATOM 0 H VAL A 127 13.578 3.718 -2.651 1.00 0.52 H new ATOM 0 HA VAL A 127 12.841 3.288 -5.471 1.00 0.45 H new ATOM 0 HB VAL A 127 10.909 3.440 -3.129 1.00 0.50 H new ATOM 0 HG11 VAL A 127 9.264 2.620 -4.774 1.00 0.63 H new ATOM 0 HG12 VAL A 127 9.978 4.175 -5.263 1.00 0.63 H new ATOM 0 HG13 VAL A 127 10.517 2.666 -6.037 1.00 0.63 H new ATOM 0 HG21 VAL A 127 10.546 1.032 -3.426 1.00 0.71 H new ATOM 0 HG22 VAL A 127 11.864 0.988 -4.621 1.00 0.71 H new ATOM 0 HG23 VAL A 127 12.213 1.403 -2.925 1.00 0.71 H new ATOM 137 N TYR A 128 12.036 5.710 -5.663 1.00 0.60 N ATOM 138 CA TYR A 128 11.711 7.125 -5.750 1.00 0.78 C ATOM 139 C TYR A 128 10.443 7.345 -6.577 1.00 0.58 C ATOM 140 O TYR A 128 9.816 6.383 -7.008 1.00 0.48 O ATOM 141 CB TYR A 128 12.889 7.930 -6.306 1.00 1.14 C ATOM 142 CG TYR A 128 12.858 9.369 -5.846 1.00 2.06 C ATOM 143 CD1 TYR A 128 12.675 9.665 -4.502 1.00 2.76 C ATOM 144 CD2 TYR A 128 12.977 10.426 -6.738 1.00 2.80 C ATOM 145 CE1 TYR A 128 12.619 10.967 -4.060 1.00 3.69 C ATOM 146 CE2 TYR A 128 12.917 11.734 -6.301 1.00 3.75 C ATOM 147 CZ TYR A 128 12.739 11.999 -4.964 1.00 4.06 C ATOM 148 OH TYR A 128 12.670 13.301 -4.525 1.00 5.08 O ATOM 0 H TYR A 128 12.033 5.213 -6.554 1.00 0.60 H new ATOM 0 HA TYR A 128 11.515 7.488 -4.741 1.00 0.78 H new ATOM 0 HB2 TYR A 128 13.825 7.469 -5.990 1.00 1.14 H new ATOM 0 HB3 TYR A 128 12.869 7.897 -7.395 1.00 1.14 H new ATOM 0 HD1 TYR A 128 12.575 8.859 -3.790 1.00 2.76 H new ATOM 0 HD2 TYR A 128 13.119 10.222 -7.789 1.00 2.80 H new ATOM 0 HE1 TYR A 128 12.482 11.178 -3.010 1.00 3.69 H new ATOM 0 HE2 TYR A 128 13.010 12.546 -7.007 1.00 3.75 H new ATOM 0 HH TYR A 128 12.774 13.909 -5.287 1.00 5.08 H new ATOM 158 N ALA A 129 10.093 8.614 -6.804 1.00 0.69 N ATOM 159 CA ALA A 129 8.801 9.008 -7.380 1.00 0.74 C ATOM 160 C ALA A 129 8.409 8.198 -8.618 1.00 0.75 C ATOM 161 O ALA A 129 7.232 7.893 -8.804 1.00 0.87 O ATOM 162 CB ALA A 129 8.824 10.492 -7.715 1.00 0.95 C ATOM 0 H ALA A 129 10.702 9.404 -6.592 1.00 0.69 H new ATOM 0 HA ALA A 129 8.044 8.797 -6.625 1.00 0.74 H new ATOM 0 HB1 ALA A 129 7.865 10.783 -8.142 1.00 0.95 H new ATOM 0 HB2 ALA A 129 9.007 11.067 -6.807 1.00 0.95 H new ATOM 0 HB3 ALA A 129 9.617 10.690 -8.436 1.00 0.95 H new ATOM 168 N ALA A 130 9.391 7.839 -9.441 1.00 0.80 N ATOM 169 CA ALA A 130 9.131 7.131 -10.698 1.00 1.00 C ATOM 170 C ALA A 130 8.306 5.861 -10.488 1.00 0.91 C ATOM 171 O ALA A 130 7.465 5.520 -11.317 1.00 1.16 O ATOM 172 CB ALA A 130 10.438 6.794 -11.394 1.00 1.21 C ATOM 0 H ALA A 130 10.378 8.026 -9.262 1.00 0.80 H new ATOM 0 HA ALA A 130 8.545 7.800 -11.328 1.00 1.00 H new ATOM 0 HB1 ALA A 130 10.229 6.269 -12.326 1.00 1.21 H new ATOM 0 HB2 ALA A 130 10.983 7.713 -11.610 1.00 1.21 H new ATOM 0 HB3 ALA A 130 11.042 6.158 -10.746 1.00 1.21 H new ATOM 178 N GLU A 131 8.530 5.169 -9.378 1.00 0.68 N ATOM 179 CA GLU A 131 7.783 3.950 -9.094 1.00 0.65 C ATOM 180 C GLU A 131 7.345 3.912 -7.632 1.00 0.46 C ATOM 181 O GLU A 131 7.070 2.851 -7.083 1.00 0.50 O ATOM 182 CB GLU A 131 8.623 2.712 -9.433 1.00 0.87 C ATOM 183 CG GLU A 131 7.781 1.496 -9.780 1.00 1.41 C ATOM 184 CD GLU A 131 8.596 0.331 -10.300 1.00 1.70 C ATOM 185 OE1 GLU A 131 8.849 0.272 -11.523 1.00 1.99 O ATOM 186 OE2 GLU A 131 9.014 -0.515 -9.483 1.00 2.44 O ATOM 0 H GLU A 131 9.215 5.427 -8.667 1.00 0.68 H new ATOM 0 HA GLU A 131 6.890 3.945 -9.720 1.00 0.65 H new ATOM 0 HB2 GLU A 131 9.278 2.944 -10.273 1.00 0.87 H new ATOM 0 HB3 GLU A 131 9.264 2.472 -8.585 1.00 0.87 H new ATOM 0 HG2 GLU A 131 7.231 1.179 -8.894 1.00 1.41 H new ATOM 0 HG3 GLU A 131 7.042 1.777 -10.530 1.00 1.41 H new ATOM 193 N LYS A 132 7.279 5.083 -7.014 1.00 0.44 N ATOM 194 CA LYS A 132 6.923 5.193 -5.602 1.00 0.42 C ATOM 195 C LYS A 132 5.442 4.881 -5.357 1.00 0.44 C ATOM 196 O LYS A 132 4.583 5.762 -5.433 1.00 0.58 O ATOM 197 CB LYS A 132 7.255 6.598 -5.069 1.00 0.55 C ATOM 198 CG LYS A 132 6.824 6.827 -3.628 1.00 0.65 C ATOM 199 CD LYS A 132 7.141 8.239 -3.175 1.00 1.05 C ATOM 200 CE LYS A 132 6.367 9.264 -3.986 1.00 1.58 C ATOM 201 NZ LYS A 132 6.673 10.648 -3.556 1.00 2.18 N ATOM 0 H LYS A 132 7.468 5.976 -7.469 1.00 0.44 H new ATOM 0 HA LYS A 132 7.515 4.452 -5.064 1.00 0.42 H new ATOM 0 HB2 LYS A 132 8.330 6.761 -5.147 1.00 0.55 H new ATOM 0 HB3 LYS A 132 6.773 7.341 -5.705 1.00 0.55 H new ATOM 0 HG2 LYS A 132 5.754 6.644 -3.533 1.00 0.65 H new ATOM 0 HG3 LYS A 132 7.328 6.112 -2.978 1.00 0.65 H new ATOM 0 HD2 LYS A 132 6.897 8.348 -2.118 1.00 1.05 H new ATOM 0 HD3 LYS A 132 8.210 8.424 -3.276 1.00 1.05 H new ATOM 0 HE2 LYS A 132 6.609 9.150 -5.043 1.00 1.58 H new ATOM 0 HE3 LYS A 132 5.298 9.079 -3.882 1.00 1.58 H new ATOM 0 HZ1 LYS A 132 6.126 11.319 -4.132 1.00 2.18 H new ATOM 0 HZ2 LYS A 132 6.419 10.764 -2.554 1.00 2.18 H new ATOM 0 HZ3 LYS A 132 7.689 10.833 -3.679 1.00 2.18 H new ATOM 215 N VAL A 133 5.161 3.619 -5.087 1.00 0.39 N ATOM 216 CA VAL A 133 3.866 3.211 -4.563 1.00 0.44 C ATOM 217 C VAL A 133 3.957 3.130 -3.050 1.00 0.44 C ATOM 218 O VAL A 133 4.884 2.527 -2.507 1.00 0.50 O ATOM 219 CB VAL A 133 3.400 1.866 -5.151 1.00 0.49 C ATOM 220 CG1 VAL A 133 2.865 2.065 -6.558 1.00 1.02 C ATOM 221 CG2 VAL A 133 4.536 0.857 -5.158 1.00 0.88 C ATOM 0 H VAL A 133 5.818 2.851 -5.223 1.00 0.39 H new ATOM 0 HA VAL A 133 3.123 3.953 -4.856 1.00 0.44 H new ATOM 0 HB VAL A 133 2.600 1.476 -4.521 1.00 0.49 H new ATOM 0 HG11 VAL A 133 2.539 1.107 -6.962 1.00 1.02 H new ATOM 0 HG12 VAL A 133 2.021 2.754 -6.532 1.00 1.02 H new ATOM 0 HG13 VAL A 133 3.651 2.477 -7.191 1.00 1.02 H new ATOM 0 HG21 VAL A 133 4.183 -0.085 -5.578 1.00 0.88 H new ATOM 0 HG22 VAL A 133 5.358 1.239 -5.764 1.00 0.88 H new ATOM 0 HG23 VAL A 133 4.883 0.693 -4.138 1.00 0.88 H new ATOM 231 N MET A 134 3.015 3.762 -2.373 1.00 0.54 N ATOM 232 CA MET A 134 3.117 3.944 -0.935 1.00 0.60 C ATOM 233 C MET A 134 2.619 2.723 -0.175 1.00 0.57 C ATOM 234 O MET A 134 1.432 2.613 0.129 1.00 0.75 O ATOM 235 CB MET A 134 2.328 5.181 -0.498 1.00 0.83 C ATOM 236 CG MET A 134 2.734 6.454 -1.226 1.00 1.14 C ATOM 237 SD MET A 134 4.423 6.977 -0.866 1.00 1.65 S ATOM 238 CE MET A 134 4.254 7.532 0.828 1.00 1.78 C ATOM 0 H MET A 134 2.174 4.157 -2.793 1.00 0.54 H new ATOM 0 HA MET A 134 4.172 4.082 -0.698 1.00 0.60 H new ATOM 0 HB2 MET A 134 1.266 5.001 -0.664 1.00 0.83 H new ATOM 0 HB3 MET A 134 2.463 5.327 0.574 1.00 0.83 H new ATOM 0 HG2 MET A 134 2.631 6.298 -2.300 1.00 1.14 H new ATOM 0 HG3 MET A 134 2.047 7.255 -0.952 1.00 1.14 H new ATOM 0 HE1 MET A 134 5.242 7.718 1.250 1.00 1.78 H new ATOM 0 HE2 MET A 134 3.669 8.452 0.853 1.00 1.78 H new ATOM 0 HE3 MET A 134 3.748 6.764 1.414 1.00 1.78 H new ATOM 248 N GLY A 135 3.522 1.798 0.111 1.00 0.50 N ATOM 249 CA GLY A 135 3.196 0.702 0.993 1.00 0.61 C ATOM 250 C GLY A 135 3.586 1.018 2.419 1.00 0.70 C ATOM 251 O GLY A 135 4.753 1.279 2.703 1.00 0.77 O ATOM 0 H GLY A 135 4.475 1.788 -0.253 1.00 0.50 H new ATOM 0 HA2 GLY A 135 2.127 0.496 0.942 1.00 0.61 H new ATOM 0 HA3 GLY A 135 3.711 -0.200 0.663 1.00 0.61 H new ATOM 255 N GLY A 136 2.609 1.056 3.310 1.00 0.85 N ATOM 256 CA GLY A 136 2.893 1.317 4.707 1.00 1.03 C ATOM 257 C GLY A 136 3.345 2.745 4.955 1.00 1.08 C ATOM 258 O GLY A 136 3.952 3.044 5.985 1.00 1.72 O ATOM 0 H GLY A 136 1.623 0.911 3.092 1.00 0.85 H new ATOM 0 HA2 GLY A 136 2.001 1.114 5.299 1.00 1.03 H new ATOM 0 HA3 GLY A 136 3.666 0.630 5.051 1.00 1.03 H new ATOM 262 N GLY A 137 3.052 3.625 4.005 1.00 0.94 N ATOM 263 CA GLY A 137 3.399 5.023 4.151 1.00 0.98 C ATOM 264 C GLY A 137 4.768 5.364 3.590 1.00 0.87 C ATOM 265 O GLY A 137 5.302 6.436 3.870 1.00 1.04 O ATOM 0 H GLY A 137 2.578 3.392 3.132 1.00 0.94 H new ATOM 0 HA2 GLY A 137 2.647 5.631 3.649 1.00 0.98 H new ATOM 0 HA3 GLY A 137 3.371 5.289 5.208 1.00 0.98 H new ATOM 269 N LYS A 138 5.343 4.466 2.799 1.00 0.71 N ATOM 270 CA LYS A 138 6.641 4.724 2.183 1.00 0.71 C ATOM 271 C LYS A 138 6.727 4.101 0.790 1.00 0.53 C ATOM 272 O LYS A 138 5.974 3.183 0.474 1.00 0.52 O ATOM 273 CB LYS A 138 7.773 4.184 3.065 1.00 0.92 C ATOM 274 CG LYS A 138 7.658 2.705 3.389 1.00 1.15 C ATOM 275 CD LYS A 138 8.938 2.168 4.013 1.00 1.46 C ATOM 276 CE LYS A 138 9.904 1.620 2.965 1.00 2.11 C ATOM 277 NZ LYS A 138 10.252 2.619 1.918 1.00 2.69 N ATOM 0 H LYS A 138 4.936 3.559 2.570 1.00 0.71 H new ATOM 0 HA LYS A 138 6.750 5.804 2.084 1.00 0.71 H new ATOM 0 HB2 LYS A 138 8.725 4.362 2.565 1.00 0.92 H new ATOM 0 HB3 LYS A 138 7.793 4.748 3.997 1.00 0.92 H new ATOM 0 HG2 LYS A 138 6.824 2.545 4.073 1.00 1.15 H new ATOM 0 HG3 LYS A 138 7.435 2.149 2.479 1.00 1.15 H new ATOM 0 HD2 LYS A 138 9.427 2.963 4.575 1.00 1.46 H new ATOM 0 HD3 LYS A 138 8.691 1.380 4.724 1.00 1.46 H new ATOM 0 HE2 LYS A 138 10.817 1.286 3.459 1.00 2.11 H new ATOM 0 HE3 LYS A 138 9.460 0.745 2.491 1.00 2.11 H new ATOM 0 HZ1 LYS A 138 11.055 2.269 1.357 1.00 2.69 H new ATOM 0 HZ2 LYS A 138 9.433 2.768 1.295 1.00 2.69 H new ATOM 0 HZ3 LYS A 138 10.512 3.519 2.370 1.00 2.69 H new ATOM 291 N PRO A 139 7.632 4.623 -0.067 1.00 0.51 N ATOM 292 CA PRO A 139 7.875 4.098 -1.420 1.00 0.46 C ATOM 293 C PRO A 139 8.254 2.615 -1.453 1.00 0.39 C ATOM 294 O PRO A 139 9.098 2.153 -0.681 1.00 0.51 O ATOM 295 CB PRO A 139 9.055 4.941 -1.935 1.00 0.60 C ATOM 296 CG PRO A 139 9.621 5.603 -0.730 1.00 0.72 C ATOM 297 CD PRO A 139 8.462 5.807 0.195 1.00 0.63 C ATOM 0 HA PRO A 139 6.968 4.166 -2.021 1.00 0.46 H new ATOM 0 HB2 PRO A 139 9.800 4.315 -2.426 1.00 0.60 H new ATOM 0 HB3 PRO A 139 8.723 5.676 -2.668 1.00 0.60 H new ATOM 0 HG2 PRO A 139 10.389 4.984 -0.266 1.00 0.72 H new ATOM 0 HG3 PRO A 139 10.090 6.553 -0.988 1.00 0.72 H new ATOM 0 HD2 PRO A 139 8.779 5.858 1.237 1.00 0.63 H new ATOM 0 HD3 PRO A 139 7.928 6.732 -0.021 1.00 0.63 H new ATOM 305 N TRP A 140 7.603 1.896 -2.355 1.00 0.34 N ATOM 306 CA TRP A 140 7.919 0.506 -2.665 1.00 0.33 C ATOM 307 C TRP A 140 8.025 0.361 -4.182 1.00 0.31 C ATOM 308 O TRP A 140 7.592 1.249 -4.908 1.00 0.38 O ATOM 309 CB TRP A 140 6.813 -0.419 -2.144 1.00 0.40 C ATOM 310 CG TRP A 140 6.833 -0.649 -0.662 1.00 0.44 C ATOM 311 CD1 TRP A 140 6.616 0.261 0.327 1.00 0.54 C ATOM 312 CD2 TRP A 140 7.058 -1.897 -0.011 1.00 0.51 C ATOM 313 NE1 TRP A 140 6.704 -0.347 1.555 1.00 0.61 N ATOM 314 CE2 TRP A 140 6.972 -1.674 1.373 1.00 0.58 C ATOM 315 CE3 TRP A 140 7.326 -3.180 -0.473 1.00 0.62 C ATOM 316 CZ2 TRP A 140 7.149 -2.694 2.301 1.00 0.69 C ATOM 317 CZ3 TRP A 140 7.501 -4.197 0.447 1.00 0.76 C ATOM 318 CH2 TRP A 140 7.408 -3.950 1.822 1.00 0.78 C ATOM 0 H TRP A 140 6.826 2.267 -2.903 1.00 0.34 H new ATOM 0 HA TRP A 140 8.859 0.230 -2.188 1.00 0.33 H new ATOM 0 HB2 TRP A 140 5.846 0.003 -2.419 1.00 0.40 H new ATOM 0 HB3 TRP A 140 6.896 -1.382 -2.648 1.00 0.40 H new ATOM 0 HD1 TRP A 140 6.405 1.308 0.169 1.00 0.54 H new ATOM 0 HE1 TRP A 140 6.588 0.117 2.456 1.00 0.61 H new ATOM 0 HE3 TRP A 140 7.396 -3.379 -1.532 1.00 0.62 H new ATOM 0 HZ2 TRP A 140 7.084 -2.502 3.362 1.00 0.69 H new ATOM 0 HZ3 TRP A 140 7.713 -5.197 0.100 1.00 0.76 H new ATOM 0 HH2 TRP A 140 7.543 -4.765 2.517 1.00 0.78 H new ATOM 329 N HIS A 141 8.605 -0.739 -4.659 1.00 0.34 N ATOM 330 CA HIS A 141 8.630 -1.018 -6.099 1.00 0.34 C ATOM 331 C HIS A 141 7.252 -1.487 -6.538 1.00 0.40 C ATOM 332 O HIS A 141 6.566 -2.184 -5.796 1.00 0.51 O ATOM 333 CB HIS A 141 9.655 -2.104 -6.454 1.00 0.42 C ATOM 334 CG HIS A 141 11.086 -1.715 -6.257 1.00 0.47 C ATOM 335 ND1 HIS A 141 11.668 -0.493 -6.311 1.00 0.68 N flip ATOM 336 CD2 HIS A 141 12.039 -2.652 -5.953 1.00 0.70 C flip ATOM 337 CE1 HIS A 141 13.004 -0.676 -6.032 1.00 0.71 C flip ATOM 338 NE2 HIS A 141 13.176 -1.997 -5.823 1.00 0.72 N flip ATOM 0 H HIS A 141 9.059 -1.445 -4.080 1.00 0.34 H new ATOM 0 HA HIS A 141 8.914 -0.099 -6.612 1.00 0.34 H new ATOM 0 HB2 HIS A 141 9.449 -2.988 -5.850 1.00 0.42 H new ATOM 0 HB3 HIS A 141 9.512 -2.389 -7.496 1.00 0.42 H new ATOM 0 HD1 HIS A 141 11.206 0.392 -6.518 1.00 0.68 H new ATOM 0 HD2 HIS A 141 11.889 -3.716 -5.842 1.00 0.70 H new ATOM 0 HE1 HIS A 141 13.765 0.089 -5.989 1.00 0.71 H new ATOM 346 N LYS A 142 6.860 -1.124 -7.753 1.00 0.49 N ATOM 347 CA LYS A 142 5.550 -1.497 -8.280 1.00 0.65 C ATOM 348 C LYS A 142 5.492 -2.997 -8.543 1.00 0.71 C ATOM 349 O LYS A 142 4.420 -3.599 -8.553 1.00 0.89 O ATOM 350 CB LYS A 142 5.253 -0.719 -9.566 1.00 0.85 C ATOM 351 CG LYS A 142 3.831 -0.883 -10.077 1.00 1.52 C ATOM 352 CD LYS A 142 2.814 -0.415 -9.049 1.00 1.88 C ATOM 353 CE LYS A 142 1.393 -0.511 -9.575 1.00 2.60 C ATOM 354 NZ LYS A 142 1.132 0.459 -10.673 1.00 3.19 N ATOM 0 H LYS A 142 7.430 -0.571 -8.394 1.00 0.49 H new ATOM 0 HA LYS A 142 4.792 -1.245 -7.538 1.00 0.65 H new ATOM 0 HB2 LYS A 142 5.444 0.340 -9.390 1.00 0.85 H new ATOM 0 HB3 LYS A 142 5.946 -1.043 -10.342 1.00 0.85 H new ATOM 0 HG2 LYS A 142 3.706 -0.315 -10.999 1.00 1.52 H new ATOM 0 HG3 LYS A 142 3.649 -1.930 -10.321 1.00 1.52 H new ATOM 0 HD2 LYS A 142 2.908 -1.017 -8.145 1.00 1.88 H new ATOM 0 HD3 LYS A 142 3.029 0.616 -8.769 1.00 1.88 H new ATOM 0 HE2 LYS A 142 1.209 -1.523 -9.935 1.00 2.60 H new ATOM 0 HE3 LYS A 142 0.693 -0.331 -8.759 1.00 2.60 H new ATOM 0 HZ1 LYS A 142 0.161 0.334 -11.023 1.00 3.19 H new ATOM 0 HZ2 LYS A 142 1.249 1.428 -10.315 1.00 3.19 H new ATOM 0 HZ3 LYS A 142 1.804 0.294 -11.449 1.00 3.19 H new ATOM 368 N THR A 143 6.658 -3.588 -8.748 1.00 0.69 N ATOM 369 CA THR A 143 6.776 -5.020 -8.961 1.00 0.84 C ATOM 370 C THR A 143 6.709 -5.779 -7.640 1.00 0.84 C ATOM 371 O THR A 143 6.394 -6.967 -7.610 1.00 1.10 O ATOM 372 CB THR A 143 8.103 -5.348 -9.666 1.00 0.95 C ATOM 373 OG1 THR A 143 9.160 -4.560 -9.095 1.00 1.38 O ATOM 374 CG2 THR A 143 8.014 -5.078 -11.162 1.00 1.47 C ATOM 0 H THR A 143 7.547 -3.089 -8.771 1.00 0.69 H new ATOM 0 HA THR A 143 5.941 -5.331 -9.589 1.00 0.84 H new ATOM 0 HB THR A 143 8.312 -6.408 -9.523 1.00 0.95 H new ATOM 0 HG1 THR A 143 9.296 -4.822 -8.161 1.00 1.38 H new ATOM 0 HG21 THR A 143 8.967 -5.319 -11.633 1.00 1.47 H new ATOM 0 HG22 THR A 143 7.228 -5.695 -11.597 1.00 1.47 H new ATOM 0 HG23 THR A 143 7.783 -4.026 -11.329 1.00 1.47 H new ATOM 382 N CYS A 144 6.996 -5.080 -6.551 1.00 0.68 N ATOM 383 CA CYS A 144 7.061 -5.696 -5.236 1.00 0.76 C ATOM 384 C CYS A 144 5.921 -5.223 -4.360 1.00 0.81 C ATOM 385 O CYS A 144 5.781 -5.648 -3.207 1.00 0.96 O ATOM 386 CB CYS A 144 8.386 -5.343 -4.600 1.00 0.73 C ATOM 387 SG CYS A 144 9.747 -5.393 -5.788 1.00 1.14 S ATOM 0 H CYS A 144 7.189 -4.078 -6.554 1.00 0.68 H new ATOM 0 HA CYS A 144 6.973 -6.777 -5.342 1.00 0.76 H new ATOM 0 HB2 CYS A 144 8.324 -4.346 -4.163 1.00 0.73 H new ATOM 0 HB3 CYS A 144 8.592 -6.036 -3.784 1.00 0.73 H new ATOM 0 HG CYS A 144 10.866 -5.591 -5.157 1.00 1.14 H new ATOM 392 N PHE A 145 5.114 -4.336 -4.919 1.00 0.80 N ATOM 393 CA PHE A 145 3.934 -3.831 -4.250 1.00 0.86 C ATOM 394 C PHE A 145 2.846 -4.886 -4.310 1.00 0.79 C ATOM 395 O PHE A 145 1.743 -4.645 -4.779 1.00 0.81 O ATOM 396 CB PHE A 145 3.472 -2.539 -4.922 1.00 0.94 C ATOM 397 CG PHE A 145 2.591 -1.690 -4.059 1.00 0.97 C ATOM 398 CD1 PHE A 145 2.899 -1.476 -2.727 1.00 1.03 C ATOM 399 CD2 PHE A 145 1.441 -1.130 -4.578 1.00 1.05 C ATOM 400 CE1 PHE A 145 2.075 -0.711 -1.929 1.00 1.10 C ATOM 401 CE2 PHE A 145 0.611 -0.370 -3.787 1.00 1.13 C ATOM 402 CZ PHE A 145 0.997 -0.081 -2.465 1.00 1.13 C ATOM 0 H PHE A 145 5.262 -3.948 -5.851 1.00 0.80 H new ATOM 0 HA PHE A 145 4.161 -3.611 -3.207 1.00 0.86 H new ATOM 0 HB2 PHE A 145 4.348 -1.959 -5.213 1.00 0.94 H new ATOM 0 HB3 PHE A 145 2.936 -2.788 -5.838 1.00 0.94 H new ATOM 0 HD1 PHE A 145 3.794 -1.913 -2.308 1.00 1.03 H new ATOM 0 HD2 PHE A 145 1.190 -1.290 -5.616 1.00 1.05 H new ATOM 0 HE1 PHE A 145 2.287 -0.612 -0.875 1.00 1.10 H new ATOM 0 HE2 PHE A 145 -0.326 0.001 -4.176 1.00 1.13 H new ATOM 0 HZ PHE A 145 0.440 0.637 -1.880 1.00 1.13 H new ATOM 412 N ARG A 146 3.189 -6.063 -3.842 1.00 0.76 N ATOM 413 CA ARG A 146 2.323 -7.220 -3.929 1.00 0.69 C ATOM 414 C ARG A 146 2.091 -7.770 -2.545 1.00 0.66 C ATOM 415 O ARG A 146 2.879 -7.517 -1.634 1.00 0.95 O ATOM 416 CB ARG A 146 2.974 -8.327 -4.767 1.00 0.77 C ATOM 417 CG ARG A 146 3.541 -7.880 -6.101 1.00 1.08 C ATOM 418 CD ARG A 146 4.127 -9.062 -6.855 1.00 1.13 C ATOM 419 NE ARG A 146 5.076 -9.816 -6.032 1.00 1.61 N ATOM 420 CZ ARG A 146 5.621 -10.978 -6.388 1.00 1.86 C ATOM 421 NH1 ARG A 146 5.316 -11.541 -7.551 1.00 1.73 N ATOM 422 NH2 ARG A 146 6.468 -11.582 -5.565 1.00 2.78 N ATOM 0 H ARG A 146 4.083 -6.248 -3.387 1.00 0.76 H new ATOM 0 HA ARG A 146 1.387 -6.910 -4.394 1.00 0.69 H new ATOM 0 HB2 ARG A 146 3.776 -8.779 -4.183 1.00 0.77 H new ATOM 0 HB3 ARG A 146 2.234 -9.106 -4.948 1.00 0.77 H new ATOM 0 HG2 ARG A 146 2.757 -7.413 -6.698 1.00 1.08 H new ATOM 0 HG3 ARG A 146 4.311 -7.126 -5.941 1.00 1.08 H new ATOM 0 HD2 ARG A 146 3.322 -9.722 -7.178 1.00 1.13 H new ATOM 0 HD3 ARG A 146 4.629 -8.706 -7.755 1.00 1.13 H new ATOM 0 HE ARG A 146 5.337 -9.425 -5.127 1.00 1.61 H new ATOM 0 HH11 ARG A 146 4.658 -11.083 -8.182 1.00 1.73 H new ATOM 0 HH12 ARG A 146 5.739 -12.431 -7.813 1.00 1.73 H new ATOM 0 HH21 ARG A 146 6.698 -11.156 -4.667 1.00 2.78 H new ATOM 0 HH22 ARG A 146 6.890 -12.472 -5.830 1.00 2.78 H new ATOM 436 N CYS A 147 1.025 -8.525 -2.388 1.00 0.42 N ATOM 437 CA CYS A 147 0.865 -9.323 -1.202 1.00 0.43 C ATOM 438 C CYS A 147 1.432 -10.706 -1.486 1.00 0.52 C ATOM 439 O CYS A 147 1.253 -11.249 -2.597 1.00 0.53 O ATOM 440 CB CYS A 147 -0.593 -9.417 -0.784 1.00 0.43 C ATOM 441 SG CYS A 147 -1.318 -11.059 -1.008 1.00 0.68 S ATOM 0 H CYS A 147 0.264 -8.600 -3.063 1.00 0.42 H new ATOM 0 HA CYS A 147 1.399 -8.856 -0.375 1.00 0.43 H new ATOM 0 HB2 CYS A 147 -0.679 -9.133 0.265 1.00 0.43 H new ATOM 0 HB3 CYS A 147 -1.172 -8.694 -1.358 1.00 0.43 H new ATOM 0 HG CYS A 147 -2.615 -10.967 -0.993 1.00 0.68 H new ATOM 446 N ALA A 148 2.132 -11.242 -0.494 1.00 0.67 N ATOM 447 CA ALA A 148 2.801 -12.532 -0.609 1.00 0.82 C ATOM 448 C ALA A 148 1.820 -13.699 -0.543 1.00 0.84 C ATOM 449 O ALA A 148 2.214 -14.854 -0.702 1.00 0.98 O ATOM 450 CB ALA A 148 3.853 -12.667 0.481 1.00 1.02 C ATOM 0 H ALA A 148 2.252 -10.794 0.414 1.00 0.67 H new ATOM 0 HA ALA A 148 3.279 -12.569 -1.588 1.00 0.82 H new ATOM 0 HB1 ALA A 148 4.349 -13.633 0.390 1.00 1.02 H new ATOM 0 HB2 ALA A 148 4.589 -11.870 0.377 1.00 1.02 H new ATOM 0 HB3 ALA A 148 3.376 -12.595 1.458 1.00 1.02 H new ATOM 456 N ILE A 149 0.548 -13.405 -0.302 1.00 0.76 N ATOM 457 CA ILE A 149 -0.463 -14.449 -0.203 1.00 0.84 C ATOM 458 C ILE A 149 -0.806 -14.978 -1.585 1.00 0.85 C ATOM 459 O ILE A 149 -0.829 -16.190 -1.812 1.00 1.00 O ATOM 460 CB ILE A 149 -1.754 -13.946 0.474 1.00 0.82 C ATOM 461 CG1 ILE A 149 -1.452 -13.412 1.875 1.00 0.86 C ATOM 462 CG2 ILE A 149 -2.791 -15.062 0.544 1.00 0.97 C ATOM 463 CD1 ILE A 149 -2.662 -12.827 2.565 1.00 1.02 C ATOM 0 H ILE A 149 0.194 -12.457 -0.172 1.00 0.76 H new ATOM 0 HA ILE A 149 -0.041 -15.243 0.413 1.00 0.84 H new ATOM 0 HB ILE A 149 -2.161 -13.132 -0.126 1.00 0.82 H new ATOM 0 HG12 ILE A 149 -1.050 -14.220 2.486 1.00 0.86 H new ATOM 0 HG13 ILE A 149 -0.677 -12.649 1.806 1.00 0.86 H new ATOM 0 HG21 ILE A 149 -3.695 -14.689 1.025 1.00 0.97 H new ATOM 0 HG22 ILE A 149 -3.029 -15.401 -0.464 1.00 0.97 H new ATOM 0 HG23 ILE A 149 -2.390 -15.895 1.122 1.00 0.97 H new ATOM 0 HD11 ILE A 149 -2.378 -12.467 3.554 1.00 1.02 H new ATOM 0 HD12 ILE A 149 -3.052 -11.998 1.975 1.00 1.02 H new ATOM 0 HD13 ILE A 149 -3.430 -13.594 2.665 1.00 1.02 H new ATOM 475 N CYS A 150 -1.056 -14.069 -2.516 1.00 0.73 N ATOM 476 CA CYS A 150 -1.427 -14.463 -3.851 1.00 0.79 C ATOM 477 C CYS A 150 -0.282 -14.162 -4.807 1.00 0.75 C ATOM 478 O CYS A 150 -0.268 -14.612 -5.956 1.00 0.87 O ATOM 479 CB CYS A 150 -2.712 -13.743 -4.277 1.00 0.78 C ATOM 480 SG CYS A 150 -2.563 -11.936 -4.417 1.00 0.82 S ATOM 0 H CYS A 150 -1.007 -13.061 -2.365 1.00 0.73 H new ATOM 0 HA CYS A 150 -1.623 -15.535 -3.875 1.00 0.79 H new ATOM 0 HB2 CYS A 150 -3.034 -14.143 -5.239 1.00 0.78 H new ATOM 0 HB3 CYS A 150 -3.497 -13.974 -3.557 1.00 0.78 H new ATOM 0 HG CYS A 150 -2.132 -11.448 -3.292 1.00 0.82 H new ATOM 485 N GLY A 151 0.696 -13.415 -4.300 1.00 0.66 N ATOM 486 CA GLY A 151 1.826 -13.006 -5.102 1.00 0.70 C ATOM 487 C GLY A 151 1.419 -11.998 -6.151 1.00 0.66 C ATOM 488 O GLY A 151 2.037 -11.909 -7.211 1.00 0.76 O ATOM 0 H GLY A 151 0.721 -13.085 -3.335 1.00 0.66 H new ATOM 0 HA2 GLY A 151 2.594 -12.575 -4.459 1.00 0.70 H new ATOM 0 HA3 GLY A 151 2.267 -13.878 -5.585 1.00 0.70 H new ATOM 492 N LYS A 152 0.388 -11.223 -5.848 1.00 0.58 N ATOM 493 CA LYS A 152 -0.203 -10.342 -6.853 1.00 0.64 C ATOM 494 C LYS A 152 -0.034 -8.873 -6.478 1.00 0.56 C ATOM 495 O LYS A 152 -0.165 -8.498 -5.312 1.00 0.50 O ATOM 496 CB LYS A 152 -1.678 -10.703 -7.081 1.00 0.80 C ATOM 497 CG LYS A 152 -2.375 -9.907 -8.179 1.00 0.89 C ATOM 498 CD LYS A 152 -3.101 -8.678 -7.641 1.00 1.39 C ATOM 499 CE LYS A 152 -4.384 -9.037 -6.899 1.00 1.75 C ATOM 500 NZ LYS A 152 -4.131 -9.707 -5.593 1.00 2.37 N ATOM 0 H LYS A 152 -0.054 -11.183 -4.929 1.00 0.58 H new ATOM 0 HA LYS A 152 0.330 -10.492 -7.792 1.00 0.64 H new ATOM 0 HB2 LYS A 152 -1.743 -11.763 -7.325 1.00 0.80 H new ATOM 0 HB3 LYS A 152 -2.221 -10.557 -6.147 1.00 0.80 H new ATOM 0 HG2 LYS A 152 -1.639 -9.594 -8.919 1.00 0.89 H new ATOM 0 HG3 LYS A 152 -3.089 -10.551 -8.692 1.00 0.89 H new ATOM 0 HD2 LYS A 152 -2.437 -8.133 -6.970 1.00 1.39 H new ATOM 0 HD3 LYS A 152 -3.338 -8.009 -8.468 1.00 1.39 H new ATOM 0 HE2 LYS A 152 -4.965 -8.131 -6.730 1.00 1.75 H new ATOM 0 HE3 LYS A 152 -4.989 -9.692 -7.526 1.00 1.75 H new ATOM 0 HZ1 LYS A 152 -5.027 -9.805 -5.074 1.00 2.37 H new ATOM 0 HZ2 LYS A 152 -3.722 -10.649 -5.759 1.00 2.37 H new ATOM 0 HZ3 LYS A 152 -3.467 -9.136 -5.033 1.00 2.37 H new ATOM 514 N SER A 153 0.261 -8.057 -7.489 1.00 0.67 N ATOM 515 CA SER A 153 0.596 -6.649 -7.303 1.00 0.73 C ATOM 516 C SER A 153 -0.628 -5.772 -7.048 1.00 0.76 C ATOM 517 O SER A 153 -1.708 -5.983 -7.606 1.00 0.94 O ATOM 518 CB SER A 153 1.363 -6.140 -8.527 1.00 0.91 C ATOM 519 OG SER A 153 0.712 -6.517 -9.730 1.00 1.46 O ATOM 0 H SER A 153 0.274 -8.357 -8.464 1.00 0.67 H new ATOM 0 HA SER A 153 1.219 -6.581 -6.411 1.00 0.73 H new ATOM 0 HB2 SER A 153 1.449 -5.054 -8.481 1.00 0.91 H new ATOM 0 HB3 SER A 153 2.377 -6.540 -8.517 1.00 0.91 H new ATOM 0 HG SER A 153 1.220 -6.179 -10.497 1.00 1.46 H new ATOM 525 N LEU A 154 -0.426 -4.780 -6.204 1.00 0.71 N ATOM 526 CA LEU A 154 -1.455 -3.837 -5.818 1.00 0.76 C ATOM 527 C LEU A 154 -1.200 -2.496 -6.486 1.00 0.92 C ATOM 528 O LEU A 154 -0.100 -2.249 -6.982 1.00 1.13 O ATOM 529 CB LEU A 154 -1.433 -3.689 -4.302 1.00 0.70 C ATOM 530 CG LEU A 154 -1.677 -4.990 -3.541 1.00 0.70 C ATOM 531 CD1 LEU A 154 -1.578 -4.768 -2.042 1.00 0.85 C ATOM 532 CD2 LEU A 154 -3.034 -5.564 -3.909 1.00 0.86 C ATOM 0 H LEU A 154 0.475 -4.604 -5.759 1.00 0.71 H new ATOM 0 HA LEU A 154 -2.434 -4.197 -6.135 1.00 0.76 H new ATOM 0 HB2 LEU A 154 -0.467 -3.282 -4.002 1.00 0.70 H new ATOM 0 HB3 LEU A 154 -2.190 -2.962 -4.008 1.00 0.70 H new ATOM 0 HG LEU A 154 -0.906 -5.706 -3.825 1.00 0.70 H new ATOM 0 HD11 LEU A 154 -1.756 -5.709 -1.522 1.00 0.85 H new ATOM 0 HD12 LEU A 154 -0.583 -4.399 -1.794 1.00 0.85 H new ATOM 0 HD13 LEU A 154 -2.324 -4.036 -1.732 1.00 0.85 H new ATOM 0 HD21 LEU A 154 -3.198 -6.492 -3.361 1.00 0.86 H new ATOM 0 HD22 LEU A 154 -3.814 -4.848 -3.651 1.00 0.86 H new ATOM 0 HD23 LEU A 154 -3.066 -5.765 -4.980 1.00 0.86 H new ATOM 544 N GLU A 155 -2.211 -1.631 -6.509 1.00 1.24 N ATOM 545 CA GLU A 155 -2.069 -0.333 -7.161 1.00 1.53 C ATOM 546 C GLU A 155 -2.775 0.780 -6.381 1.00 1.73 C ATOM 547 O GLU A 155 -2.151 1.474 -5.581 1.00 2.45 O ATOM 548 CB GLU A 155 -2.585 -0.382 -8.608 1.00 1.96 C ATOM 549 CG GLU A 155 -1.885 -1.425 -9.470 1.00 2.39 C ATOM 550 CD GLU A 155 -2.104 -1.218 -10.952 1.00 3.01 C ATOM 551 OE1 GLU A 155 -3.167 -1.629 -11.463 1.00 3.46 O ATOM 552 OE2 GLU A 155 -1.218 -0.642 -11.613 1.00 3.54 O ATOM 0 H GLU A 155 -3.125 -1.802 -6.090 1.00 1.24 H new ATOM 0 HA GLU A 155 -1.004 -0.101 -7.178 1.00 1.53 H new ATOM 0 HB2 GLU A 155 -3.655 -0.591 -8.597 1.00 1.96 H new ATOM 0 HB3 GLU A 155 -2.457 0.600 -9.064 1.00 1.96 H new ATOM 0 HG2 GLU A 155 -0.816 -1.401 -9.261 1.00 2.39 H new ATOM 0 HG3 GLU A 155 -2.243 -2.416 -9.192 1.00 2.39 H new ATOM 559 N SER A 156 -4.076 0.946 -6.602 1.00 1.83 N ATOM 560 CA SER A 156 -4.803 2.070 -6.024 1.00 2.22 C ATOM 561 C SER A 156 -5.783 1.632 -4.932 1.00 1.96 C ATOM 562 O SER A 156 -5.474 1.703 -3.742 1.00 2.65 O ATOM 563 CB SER A 156 -5.539 2.825 -7.132 1.00 3.04 C ATOM 564 OG SER A 156 -6.278 1.925 -7.945 1.00 3.58 O ATOM 0 H SER A 156 -4.645 0.321 -7.173 1.00 1.83 H new ATOM 0 HA SER A 156 -4.076 2.728 -5.548 1.00 2.22 H new ATOM 0 HB2 SER A 156 -6.211 3.562 -6.693 1.00 3.04 H new ATOM 0 HB3 SER A 156 -4.822 3.372 -7.745 1.00 3.04 H new ATOM 0 HG SER A 156 -6.744 2.425 -8.647 1.00 3.58 H new ATOM 570 N THR A 157 -6.956 1.159 -5.349 1.00 1.62 N ATOM 571 CA THR A 157 -8.036 0.818 -4.423 1.00 1.69 C ATOM 572 C THR A 157 -7.716 -0.437 -3.611 1.00 1.51 C ATOM 573 O THR A 157 -8.346 -0.710 -2.587 1.00 2.11 O ATOM 574 CB THR A 157 -9.376 0.628 -5.177 1.00 2.15 C ATOM 575 OG1 THR A 157 -10.433 0.330 -4.258 1.00 2.66 O ATOM 576 CG2 THR A 157 -9.271 -0.483 -6.216 1.00 2.67 C ATOM 0 H THR A 157 -7.184 1.002 -6.331 1.00 1.62 H new ATOM 0 HA THR A 157 -8.133 1.654 -3.731 1.00 1.69 H new ATOM 0 HB THR A 157 -9.601 1.563 -5.690 1.00 2.15 H new ATOM 0 HG1 THR A 157 -10.054 -0.034 -3.431 1.00 2.66 H new ATOM 0 HG21 THR A 157 -10.227 -0.593 -6.729 1.00 2.67 H new ATOM 0 HG22 THR A 157 -8.497 -0.231 -6.941 1.00 2.67 H new ATOM 0 HG23 THR A 157 -9.014 -1.420 -5.722 1.00 2.67 H new ATOM 584 N ASN A 158 -6.728 -1.197 -4.061 1.00 1.17 N ATOM 585 CA ASN A 158 -6.331 -2.409 -3.365 1.00 1.14 C ATOM 586 C ASN A 158 -4.923 -2.289 -2.812 1.00 0.94 C ATOM 587 O ASN A 158 -3.957 -2.486 -3.535 1.00 1.16 O ATOM 588 CB ASN A 158 -6.417 -3.634 -4.285 1.00 1.38 C ATOM 589 CG ASN A 158 -7.832 -4.152 -4.461 1.00 1.61 C ATOM 590 OD1 ASN A 158 -8.323 -4.931 -3.642 1.00 2.30 O ATOM 591 ND2 ASN A 158 -8.487 -3.752 -5.542 1.00 2.09 N ATOM 0 H ASN A 158 -6.189 -0.995 -4.903 1.00 1.17 H new ATOM 0 HA ASN A 158 -7.026 -2.542 -2.536 1.00 1.14 H new ATOM 0 HB2 ASN A 158 -6.007 -3.376 -5.262 1.00 1.38 H new ATOM 0 HB3 ASN A 158 -5.794 -4.430 -3.878 1.00 1.38 H new ATOM 0 HD21 ASN A 158 -9.433 -4.090 -5.720 1.00 2.09 H new ATOM 0 HD22 ASN A 158 -8.045 -3.106 -6.196 1.00 2.09 H new ATOM 598 N VAL A 159 -4.821 -1.898 -1.548 1.00 0.79 N ATOM 599 CA VAL A 159 -3.583 -2.017 -0.793 1.00 0.72 C ATOM 600 C VAL A 159 -3.831 -1.759 0.679 1.00 0.69 C ATOM 601 O VAL A 159 -4.309 -0.690 1.068 1.00 0.83 O ATOM 602 CB VAL A 159 -2.432 -1.106 -1.297 1.00 0.94 C ATOM 603 CG1 VAL A 159 -2.859 0.345 -1.483 1.00 1.27 C ATOM 604 CG2 VAL A 159 -1.247 -1.195 -0.346 1.00 1.59 C ATOM 0 H VAL A 159 -5.593 -1.491 -1.020 1.00 0.79 H new ATOM 0 HA VAL A 159 -3.249 -3.043 -0.950 1.00 0.72 H new ATOM 0 HB VAL A 159 -2.142 -1.471 -2.282 1.00 0.94 H new ATOM 0 HG11 VAL A 159 -2.011 0.931 -1.837 1.00 1.27 H new ATOM 0 HG12 VAL A 159 -3.666 0.396 -2.214 1.00 1.27 H new ATOM 0 HG13 VAL A 159 -3.206 0.747 -0.531 1.00 1.27 H new ATOM 0 HG21 VAL A 159 -0.443 -0.553 -0.706 1.00 1.59 H new ATOM 0 HG22 VAL A 159 -1.553 -0.870 0.648 1.00 1.59 H new ATOM 0 HG23 VAL A 159 -0.895 -2.226 -0.299 1.00 1.59 H new ATOM 614 N THR A 160 -3.535 -2.749 1.499 1.00 0.62 N ATOM 615 CA THR A 160 -3.622 -2.581 2.927 1.00 0.67 C ATOM 616 C THR A 160 -2.438 -3.260 3.607 1.00 0.70 C ATOM 617 O THR A 160 -2.209 -4.456 3.437 1.00 0.81 O ATOM 618 CB THR A 160 -4.952 -3.139 3.482 1.00 0.71 C ATOM 619 OG1 THR A 160 -6.054 -2.576 2.757 1.00 1.16 O ATOM 620 CG2 THR A 160 -5.104 -2.821 4.962 1.00 1.08 C ATOM 0 H THR A 160 -3.233 -3.675 1.196 1.00 0.62 H new ATOM 0 HA THR A 160 -3.594 -1.513 3.143 1.00 0.67 H new ATOM 0 HB THR A 160 -4.943 -4.222 3.360 1.00 0.71 H new ATOM 0 HG1 THR A 160 -6.895 -2.933 3.111 1.00 1.16 H new ATOM 0 HG21 THR A 160 -6.049 -3.225 5.326 1.00 1.08 H new ATOM 0 HG22 THR A 160 -4.280 -3.269 5.517 1.00 1.08 H new ATOM 0 HG23 THR A 160 -5.093 -1.740 5.105 1.00 1.08 H new ATOM 628 N ASP A 161 -1.672 -2.481 4.351 1.00 0.82 N ATOM 629 CA ASP A 161 -0.467 -2.976 5.000 1.00 0.93 C ATOM 630 C ASP A 161 -0.754 -3.442 6.422 1.00 0.96 C ATOM 631 O ASP A 161 -1.615 -2.891 7.107 1.00 1.06 O ATOM 632 CB ASP A 161 0.606 -1.885 5.016 1.00 1.18 C ATOM 633 CG ASP A 161 0.142 -0.623 5.719 1.00 1.61 C ATOM 634 OD1 ASP A 161 -0.646 0.140 5.125 1.00 2.27 O ATOM 635 OD2 ASP A 161 0.559 -0.398 6.877 1.00 2.13 O ATOM 0 H ASP A 161 -1.864 -1.494 4.522 1.00 0.82 H new ATOM 0 HA ASP A 161 -0.106 -3.832 4.430 1.00 0.93 H new ATOM 0 HB2 ASP A 161 1.499 -2.266 5.512 1.00 1.18 H new ATOM 0 HB3 ASP A 161 0.889 -1.643 3.991 1.00 1.18 H new ATOM 640 N LYS A 162 -0.037 -4.468 6.849 1.00 0.98 N ATOM 641 CA LYS A 162 -0.141 -4.978 8.205 1.00 1.10 C ATOM 642 C LYS A 162 1.216 -5.487 8.667 1.00 1.22 C ATOM 643 O LYS A 162 1.792 -6.386 8.052 1.00 1.27 O ATOM 644 CB LYS A 162 -1.174 -6.104 8.288 1.00 1.17 C ATOM 645 CG LYS A 162 -1.480 -6.547 9.710 1.00 1.55 C ATOM 646 CD LYS A 162 -2.213 -5.460 10.479 1.00 1.86 C ATOM 647 CE LYS A 162 -2.378 -5.820 11.945 1.00 2.36 C ATOM 648 NZ LYS A 162 -1.082 -5.811 12.674 1.00 2.95 N ATOM 0 H LYS A 162 0.633 -4.970 6.266 1.00 0.98 H new ATOM 0 HA LYS A 162 -0.467 -4.166 8.855 1.00 1.10 H new ATOM 0 HB2 LYS A 162 -2.098 -5.774 7.813 1.00 1.17 H new ATOM 0 HB3 LYS A 162 -0.812 -6.961 7.720 1.00 1.17 H new ATOM 0 HG2 LYS A 162 -2.086 -7.453 9.689 1.00 1.55 H new ATOM 0 HG3 LYS A 162 -0.552 -6.796 10.224 1.00 1.55 H new ATOM 0 HD2 LYS A 162 -1.664 -4.522 10.395 1.00 1.86 H new ATOM 0 HD3 LYS A 162 -3.194 -5.297 10.032 1.00 1.86 H new ATOM 0 HE2 LYS A 162 -3.063 -5.115 12.416 1.00 2.36 H new ATOM 0 HE3 LYS A 162 -2.832 -6.808 12.026 1.00 2.36 H new ATOM 0 HZ1 LYS A 162 -1.260 -5.809 13.699 1.00 2.95 H new ATOM 0 HZ2 LYS A 162 -0.535 -6.658 12.420 1.00 2.95 H new ATOM 0 HZ3 LYS A 162 -0.543 -4.960 12.414 1.00 2.95 H new ATOM 662 N ASP A 163 1.736 -4.877 9.730 1.00 1.37 N ATOM 663 CA ASP A 163 3.012 -5.287 10.323 1.00 1.58 C ATOM 664 C ASP A 163 4.164 -5.084 9.346 1.00 1.48 C ATOM 665 O ASP A 163 5.200 -5.738 9.452 1.00 1.94 O ATOM 666 CB ASP A 163 2.972 -6.754 10.775 1.00 1.83 C ATOM 667 CG ASP A 163 2.108 -6.982 12.001 1.00 2.42 C ATOM 668 OD1 ASP A 163 2.630 -6.859 13.129 1.00 2.80 O ATOM 669 OD2 ASP A 163 0.912 -7.297 11.844 1.00 2.97 O ATOM 0 H ASP A 163 1.291 -4.091 10.203 1.00 1.37 H new ATOM 0 HA ASP A 163 3.176 -4.656 11.197 1.00 1.58 H new ATOM 0 HB2 ASP A 163 2.598 -7.369 9.956 1.00 1.83 H new ATOM 0 HB3 ASP A 163 3.987 -7.089 10.987 1.00 1.83 H new ATOM 674 N GLY A 164 3.981 -4.177 8.396 1.00 1.41 N ATOM 675 CA GLY A 164 5.011 -3.922 7.404 1.00 1.46 C ATOM 676 C GLY A 164 4.818 -4.740 6.143 1.00 1.29 C ATOM 677 O GLY A 164 5.423 -4.454 5.110 1.00 1.45 O ATOM 0 H GLY A 164 3.138 -3.612 8.293 1.00 1.41 H new ATOM 0 HA2 GLY A 164 5.011 -2.862 7.149 1.00 1.46 H new ATOM 0 HA3 GLY A 164 5.988 -4.147 7.833 1.00 1.46 H new ATOM 681 N GLU A 165 3.969 -5.750 6.227 1.00 1.10 N ATOM 682 CA GLU A 165 3.684 -6.617 5.097 1.00 1.01 C ATOM 683 C GLU A 165 2.496 -6.071 4.316 1.00 0.86 C ATOM 684 O GLU A 165 1.594 -5.472 4.893 1.00 0.92 O ATOM 685 CB GLU A 165 3.396 -8.038 5.606 1.00 1.13 C ATOM 686 CG GLU A 165 3.169 -9.061 4.506 1.00 1.48 C ATOM 687 CD GLU A 165 4.334 -9.147 3.550 1.00 1.70 C ATOM 688 OE1 GLU A 165 5.290 -9.899 3.836 1.00 2.21 O ATOM 689 OE2 GLU A 165 4.298 -8.456 2.517 1.00 2.17 O ATOM 0 H GLU A 165 3.460 -5.991 7.077 1.00 1.10 H new ATOM 0 HA GLU A 165 4.546 -6.651 4.431 1.00 1.01 H new ATOM 0 HB2 GLU A 165 4.231 -8.366 6.225 1.00 1.13 H new ATOM 0 HB3 GLU A 165 2.515 -8.010 6.248 1.00 1.13 H new ATOM 0 HG2 GLU A 165 2.997 -10.040 4.954 1.00 1.48 H new ATOM 0 HG3 GLU A 165 2.267 -8.801 3.952 1.00 1.48 H new ATOM 696 N LEU A 166 2.498 -6.262 3.007 1.00 0.77 N ATOM 697 CA LEU A 166 1.414 -5.763 2.171 1.00 0.65 C ATOM 698 C LEU A 166 0.425 -6.873 1.880 1.00 0.55 C ATOM 699 O LEU A 166 0.812 -8.018 1.649 1.00 0.63 O ATOM 700 CB LEU A 166 1.925 -5.173 0.846 1.00 0.71 C ATOM 701 CG LEU A 166 2.780 -3.904 0.955 1.00 0.86 C ATOM 702 CD1 LEU A 166 2.154 -2.894 1.907 1.00 1.25 C ATOM 703 CD2 LEU A 166 4.186 -4.247 1.394 1.00 1.21 C ATOM 0 H LEU A 166 3.233 -6.756 2.501 1.00 0.77 H new ATOM 0 HA LEU A 166 0.924 -4.963 2.726 1.00 0.65 H new ATOM 0 HB2 LEU A 166 2.510 -5.937 0.334 1.00 0.71 H new ATOM 0 HB3 LEU A 166 1.064 -4.953 0.214 1.00 0.71 H new ATOM 0 HG LEU A 166 2.825 -3.447 -0.033 1.00 0.86 H new ATOM 0 HD11 LEU A 166 2.784 -2.006 1.962 1.00 1.25 H new ATOM 0 HD12 LEU A 166 1.165 -2.615 1.543 1.00 1.25 H new ATOM 0 HD13 LEU A 166 2.064 -3.337 2.899 1.00 1.25 H new ATOM 0 HD21 LEU A 166 4.778 -3.334 1.466 1.00 1.21 H new ATOM 0 HD22 LEU A 166 4.154 -4.736 2.368 1.00 1.21 H new ATOM 0 HD23 LEU A 166 4.641 -4.918 0.666 1.00 1.21 H new ATOM 715 N TYR A 167 -0.849 -6.530 1.920 1.00 0.46 N ATOM 716 CA TYR A 167 -1.907 -7.475 1.621 1.00 0.38 C ATOM 717 C TYR A 167 -2.969 -6.809 0.759 1.00 0.33 C ATOM 718 O TYR A 167 -3.269 -5.625 0.929 1.00 0.45 O ATOM 719 CB TYR A 167 -2.546 -7.980 2.915 1.00 0.46 C ATOM 720 CG TYR A 167 -1.600 -8.713 3.840 1.00 0.62 C ATOM 721 CD1 TYR A 167 -1.149 -9.992 3.540 1.00 0.74 C ATOM 722 CD2 TYR A 167 -1.148 -8.116 5.008 1.00 0.79 C ATOM 723 CE1 TYR A 167 -0.274 -10.655 4.379 1.00 0.94 C ATOM 724 CE2 TYR A 167 -0.276 -8.772 5.853 1.00 0.97 C ATOM 725 CZ TYR A 167 0.117 -10.077 5.546 1.00 1.03 C ATOM 726 OH TYR A 167 1.031 -10.690 6.374 1.00 1.23 O ATOM 0 H TYR A 167 -1.178 -5.594 2.159 1.00 0.46 H new ATOM 0 HA TYR A 167 -1.478 -8.319 1.081 1.00 0.38 H new ATOM 0 HB2 TYR A 167 -2.971 -7.131 3.450 1.00 0.46 H new ATOM 0 HB3 TYR A 167 -3.373 -8.644 2.662 1.00 0.46 H new ATOM 0 HD1 TYR A 167 -1.488 -10.476 2.636 1.00 0.74 H new ATOM 0 HD2 TYR A 167 -1.484 -7.121 5.260 1.00 0.79 H new ATOM 0 HE1 TYR A 167 0.099 -11.632 4.108 1.00 0.94 H new ATOM 0 HE2 TYR A 167 0.098 -8.283 6.740 1.00 0.97 H new ATOM 0 HH TYR A 167 1.189 -10.127 7.161 1.00 1.23 H new ATOM 736 N CYS A 168 -3.515 -7.568 -0.183 1.00 0.30 N ATOM 737 CA CYS A 168 -4.634 -7.098 -0.983 1.00 0.38 C ATOM 738 C CYS A 168 -5.873 -7.002 -0.111 1.00 0.45 C ATOM 739 O CYS A 168 -5.943 -7.675 0.912 1.00 0.47 O ATOM 740 CB CYS A 168 -4.899 -8.059 -2.139 1.00 0.46 C ATOM 741 SG CYS A 168 -3.388 -8.646 -2.965 1.00 0.52 S ATOM 0 H CYS A 168 -3.200 -8.511 -0.410 1.00 0.30 H new ATOM 0 HA CYS A 168 -4.391 -6.116 -1.389 1.00 0.38 H new ATOM 0 HB2 CYS A 168 -5.455 -8.919 -1.765 1.00 0.46 H new ATOM 0 HB3 CYS A 168 -5.534 -7.564 -2.873 1.00 0.46 H new ATOM 0 HG CYS A 168 -2.827 -9.567 -2.239 1.00 0.52 H new ATOM 746 N LYS A 169 -6.849 -6.197 -0.503 1.00 0.60 N ATOM 747 CA LYS A 169 -8.061 -6.044 0.301 1.00 0.72 C ATOM 748 C LYS A 169 -8.700 -7.403 0.587 1.00 0.69 C ATOM 749 O LYS A 169 -9.082 -7.694 1.721 1.00 0.75 O ATOM 750 CB LYS A 169 -9.058 -5.117 -0.398 1.00 0.94 C ATOM 751 CG LYS A 169 -10.339 -4.896 0.395 1.00 1.57 C ATOM 752 CD LYS A 169 -11.174 -3.771 -0.197 1.00 1.97 C ATOM 753 CE LYS A 169 -10.446 -2.439 -0.106 1.00 2.66 C ATOM 754 NZ LYS A 169 -11.246 -1.324 -0.675 1.00 3.12 N ATOM 0 H LYS A 169 -6.831 -5.645 -1.360 1.00 0.60 H new ATOM 0 HA LYS A 169 -7.781 -5.593 1.253 1.00 0.72 H new ATOM 0 HB2 LYS A 169 -8.581 -4.154 -0.579 1.00 0.94 H new ATOM 0 HB3 LYS A 169 -9.310 -5.536 -1.372 1.00 0.94 H new ATOM 0 HG2 LYS A 169 -10.923 -5.816 0.408 1.00 1.57 H new ATOM 0 HG3 LYS A 169 -10.091 -4.661 1.430 1.00 1.57 H new ATOM 0 HD2 LYS A 169 -11.402 -3.993 -1.239 1.00 1.97 H new ATOM 0 HD3 LYS A 169 -12.126 -3.705 0.330 1.00 1.97 H new ATOM 0 HE2 LYS A 169 -10.215 -2.223 0.937 1.00 2.66 H new ATOM 0 HE3 LYS A 169 -9.495 -2.509 -0.635 1.00 2.66 H new ATOM 0 HZ1 LYS A 169 -10.712 -0.436 -0.592 1.00 3.12 H new ATOM 0 HZ2 LYS A 169 -11.445 -1.516 -1.678 1.00 3.12 H new ATOM 0 HZ3 LYS A 169 -12.142 -1.239 -0.154 1.00 3.12 H new ATOM 768 N VAL A 170 -8.769 -8.243 -0.439 1.00 0.70 N ATOM 769 CA VAL A 170 -9.374 -9.565 -0.313 1.00 0.77 C ATOM 770 C VAL A 170 -8.518 -10.485 0.559 1.00 0.69 C ATOM 771 O VAL A 170 -9.027 -11.148 1.467 1.00 0.78 O ATOM 772 CB VAL A 170 -9.567 -10.219 -1.698 1.00 0.88 C ATOM 773 CG1 VAL A 170 -10.265 -11.563 -1.574 1.00 1.02 C ATOM 774 CG2 VAL A 170 -10.338 -9.293 -2.626 1.00 1.02 C ATOM 0 H VAL A 170 -8.412 -8.032 -1.371 1.00 0.70 H new ATOM 0 HA VAL A 170 -10.346 -9.428 0.160 1.00 0.77 H new ATOM 0 HB VAL A 170 -8.581 -10.392 -2.130 1.00 0.88 H new ATOM 0 HG11 VAL A 170 -10.388 -12.002 -2.564 1.00 1.02 H new ATOM 0 HG12 VAL A 170 -9.665 -12.229 -0.954 1.00 1.02 H new ATOM 0 HG13 VAL A 170 -11.244 -11.424 -1.114 1.00 1.02 H new ATOM 0 HG21 VAL A 170 -10.463 -9.773 -3.597 1.00 1.02 H new ATOM 0 HG22 VAL A 170 -11.317 -9.081 -2.197 1.00 1.02 H new ATOM 0 HG23 VAL A 170 -9.787 -8.361 -2.750 1.00 1.02 H new ATOM 784 N CYS A 171 -7.217 -10.508 0.283 1.00 0.58 N ATOM 785 CA CYS A 171 -6.292 -11.362 1.012 1.00 0.59 C ATOM 786 C CYS A 171 -6.181 -10.928 2.482 1.00 0.57 C ATOM 787 O CYS A 171 -6.166 -11.764 3.386 1.00 0.66 O ATOM 788 CB CYS A 171 -4.923 -11.329 0.324 1.00 0.58 C ATOM 789 SG CYS A 171 -4.968 -11.700 -1.471 1.00 0.80 S ATOM 0 H CYS A 171 -6.781 -9.941 -0.444 1.00 0.58 H new ATOM 0 HA CYS A 171 -6.670 -12.384 1.005 1.00 0.59 H new ATOM 0 HB2 CYS A 171 -4.481 -10.343 0.468 1.00 0.58 H new ATOM 0 HB3 CYS A 171 -4.266 -12.047 0.815 1.00 0.58 H new ATOM 0 HG CYS A 171 -4.388 -10.739 -2.127 1.00 0.80 H new ATOM 794 N TYR A 172 -6.129 -9.618 2.705 1.00 0.51 N ATOM 795 CA TYR A 172 -6.058 -9.048 4.050 1.00 0.59 C ATOM 796 C TYR A 172 -7.339 -9.310 4.823 1.00 0.67 C ATOM 797 O TYR A 172 -7.297 -9.631 5.995 1.00 0.76 O ATOM 798 CB TYR A 172 -5.803 -7.540 3.961 1.00 0.65 C ATOM 799 CG TYR A 172 -5.718 -6.833 5.296 1.00 0.89 C ATOM 800 CD1 TYR A 172 -4.509 -6.737 5.977 1.00 1.29 C ATOM 801 CD2 TYR A 172 -6.846 -6.277 5.884 1.00 1.24 C ATOM 802 CE1 TYR A 172 -4.428 -6.110 7.203 1.00 1.57 C ATOM 803 CE2 TYR A 172 -6.772 -5.652 7.115 1.00 1.45 C ATOM 804 CZ TYR A 172 -5.564 -5.502 7.732 1.00 1.48 C ATOM 805 OH TYR A 172 -5.483 -4.952 8.998 1.00 1.78 O ATOM 0 H TYR A 172 -6.135 -8.921 1.960 1.00 0.51 H new ATOM 0 HA TYR A 172 -5.235 -9.527 4.582 1.00 0.59 H new ATOM 0 HB2 TYR A 172 -4.873 -7.374 3.418 1.00 0.65 H new ATOM 0 HB3 TYR A 172 -6.601 -7.084 3.374 1.00 0.65 H new ATOM 0 HD1 TYR A 172 -3.618 -7.161 5.538 1.00 1.29 H new ATOM 0 HD2 TYR A 172 -7.795 -6.334 5.372 1.00 1.24 H new ATOM 0 HE1 TYR A 172 -3.495 -6.091 7.746 1.00 1.57 H new ATOM 0 HE2 TYR A 172 -7.670 -5.283 7.588 1.00 1.45 H new ATOM 0 HH TYR A 172 -6.348 -4.561 9.241 1.00 1.78 H new ATOM 815 N ALA A 173 -8.477 -9.173 4.173 1.00 0.72 N ATOM 816 CA ALA A 173 -9.744 -9.407 4.848 1.00 0.87 C ATOM 817 C ALA A 173 -9.885 -10.872 5.249 1.00 0.91 C ATOM 818 O ALA A 173 -10.599 -11.203 6.194 1.00 1.05 O ATOM 819 CB ALA A 173 -10.902 -8.975 3.968 1.00 1.05 C ATOM 0 H ALA A 173 -8.555 -8.905 3.192 1.00 0.72 H new ATOM 0 HA ALA A 173 -9.762 -8.807 5.758 1.00 0.87 H new ATOM 0 HB1 ALA A 173 -11.842 -9.157 4.489 1.00 1.05 H new ATOM 0 HB2 ALA A 173 -10.812 -7.912 3.743 1.00 1.05 H new ATOM 0 HB3 ALA A 173 -10.885 -9.545 3.039 1.00 1.05 H new ATOM 825 N LYS A 174 -9.183 -11.742 4.527 1.00 0.89 N ATOM 826 CA LYS A 174 -9.278 -13.179 4.753 1.00 1.06 C ATOM 827 C LYS A 174 -8.620 -13.594 6.074 1.00 1.08 C ATOM 828 O LYS A 174 -9.298 -14.064 6.987 1.00 1.27 O ATOM 829 CB LYS A 174 -8.618 -13.919 3.582 1.00 1.17 C ATOM 830 CG LYS A 174 -8.526 -15.425 3.774 1.00 1.67 C ATOM 831 CD LYS A 174 -7.690 -16.090 2.682 1.00 2.21 C ATOM 832 CE LYS A 174 -8.467 -16.302 1.388 1.00 2.63 C ATOM 833 NZ LYS A 174 -8.796 -15.030 0.686 1.00 3.36 N ATOM 0 H LYS A 174 -8.542 -11.475 3.780 1.00 0.89 H new ATOM 0 HA LYS A 174 -10.333 -13.445 4.817 1.00 1.06 H new ATOM 0 HB2 LYS A 174 -9.181 -13.713 2.672 1.00 1.17 H new ATOM 0 HB3 LYS A 174 -7.615 -13.520 3.433 1.00 1.17 H new ATOM 0 HG2 LYS A 174 -8.087 -15.640 4.748 1.00 1.67 H new ATOM 0 HG3 LYS A 174 -9.529 -15.853 3.774 1.00 1.67 H new ATOM 0 HD2 LYS A 174 -6.813 -15.475 2.477 1.00 2.21 H new ATOM 0 HD3 LYS A 174 -7.327 -17.052 3.044 1.00 2.21 H new ATOM 0 HE2 LYS A 174 -7.884 -16.937 0.721 1.00 2.63 H new ATOM 0 HE3 LYS A 174 -9.391 -16.836 1.610 1.00 2.63 H new ATOM 0 HZ1 LYS A 174 -8.725 -15.172 -0.342 1.00 3.36 H new ATOM 0 HZ2 LYS A 174 -9.764 -14.740 0.930 1.00 3.36 H new ATOM 0 HZ3 LYS A 174 -8.128 -14.289 0.979 1.00 3.36 H new ATOM 847 N ASN A 175 -7.305 -13.415 6.180 1.00 1.04 N ATOM 848 CA ASN A 175 -6.584 -13.814 7.386 1.00 1.24 C ATOM 849 C ASN A 175 -6.341 -12.643 8.328 1.00 1.33 C ATOM 850 O ASN A 175 -6.078 -12.847 9.512 1.00 1.56 O ATOM 851 CB ASN A 175 -5.267 -14.510 7.038 1.00 1.47 C ATOM 852 CG ASN A 175 -4.359 -13.711 6.123 1.00 1.90 C ATOM 853 OD1 ASN A 175 -4.381 -12.485 6.104 1.00 2.65 O ATOM 854 ND2 ASN A 175 -3.546 -14.415 5.355 1.00 2.25 N ATOM 0 H ASN A 175 -6.722 -13.000 5.453 1.00 1.04 H new ATOM 0 HA ASN A 175 -7.222 -14.525 7.912 1.00 1.24 H new ATOM 0 HB2 ASN A 175 -4.731 -14.729 7.961 1.00 1.47 H new ATOM 0 HB3 ASN A 175 -5.489 -15.466 6.564 1.00 1.47 H new ATOM 0 HD21 ASN A 175 -2.907 -13.939 4.718 1.00 2.25 H new ATOM 0 HD22 ASN A 175 -3.557 -15.434 5.400 1.00 2.25 H new ATOM 861 N PHE A 176 -6.412 -11.434 7.768 1.00 1.30 N ATOM 862 CA PHE A 176 -6.207 -10.160 8.485 1.00 1.58 C ATOM 863 C PHE A 176 -4.722 -9.803 8.582 1.00 2.55 C ATOM 864 O PHE A 176 -4.360 -8.679 8.938 1.00 3.04 O ATOM 865 CB PHE A 176 -6.896 -10.166 9.864 1.00 1.55 C ATOM 866 CG PHE A 176 -5.985 -9.917 11.035 1.00 2.24 C ATOM 867 CD1 PHE A 176 -5.171 -10.924 11.519 1.00 2.73 C ATOM 868 CD2 PHE A 176 -5.940 -8.675 11.644 1.00 2.85 C ATOM 869 CE1 PHE A 176 -4.329 -10.698 12.591 1.00 3.72 C ATOM 870 CE2 PHE A 176 -5.102 -8.439 12.713 1.00 3.93 C ATOM 871 CZ PHE A 176 -4.311 -9.461 13.204 1.00 4.32 C ATOM 0 H PHE A 176 -6.619 -11.303 6.778 1.00 1.30 H new ATOM 0 HA PHE A 176 -6.684 -9.374 7.899 1.00 1.58 H new ATOM 0 HB2 PHE A 176 -7.679 -9.407 9.865 1.00 1.55 H new ATOM 0 HB3 PHE A 176 -7.386 -11.130 10.004 1.00 1.55 H new ATOM 0 HD1 PHE A 176 -5.193 -11.898 11.054 1.00 2.73 H new ATOM 0 HD2 PHE A 176 -6.571 -7.879 11.276 1.00 2.85 H new ATOM 0 HE1 PHE A 176 -3.686 -11.488 12.949 1.00 3.72 H new ATOM 0 HE2 PHE A 176 -5.064 -7.459 13.165 1.00 3.93 H new ATOM 0 HZ PHE A 176 -3.681 -9.292 14.065 1.00 4.32 H new