USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 448 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 171 ASN : amide:sc= 0 K(o=-0.33,f=-2.4) USER MOD Set 1.2: A 181 MET CE :methyl 157:sc= -0.328 (180deg=-1.17) USER MOD Single : A 135 CYS SG : rot -35:sc= -5.67! USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 ASN : amide:sc= -0.0786 X(o=-0.079,f=-0.051) USER MOD Single : A 154 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.09) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0.448) USER MOD Single : A 168 GLN : amide:sc= -2.87! K(o=-2.9!,f=-1.9) USER MOD Single : A 175 SER OG : rot -33:sc= 1.06 USER MOD Single : A 178 LYS NZ :NH3+ -154:sc= -0.084 (180deg=-0.457) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ -114:sc= -1.24 (180deg=-4.76!) USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 135 0.847 0.080 -0.229 1.00 0.00 N ATOM 2 CA CYS A 135 2.089 -0.071 -0.966 1.00 0.00 C ATOM 3 C CYS A 135 1.955 -1.280 -1.893 1.00 0.00 C ATOM 4 O CYS A 135 2.628 -1.359 -2.919 1.00 0.00 O ATOM 5 CB CYS A 135 3.292 -0.202 -0.029 1.00 0.00 C ATOM 6 SG CYS A 135 3.352 -1.887 0.680 1.00 0.00 S ATOM 0 HA CYS A 135 2.271 0.824 -1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 135 4.213 0.005 -0.575 1.00 0.00 H new ATOM 0 HB3 CYS A 135 3.223 0.536 0.770 1.00 0.00 H new ATOM 0 HG CYS A 135 2.141 -2.321 0.869 1.00 0.00 H new ATOM 12 N TYR A 136 1.079 -2.194 -1.499 1.00 0.00 N ATOM 13 CA TYR A 136 0.847 -3.395 -2.281 1.00 0.00 C ATOM 14 C TYR A 136 -0.649 -3.702 -2.384 1.00 0.00 C ATOM 15 O TYR A 136 -1.468 -3.027 -1.764 1.00 0.00 O ATOM 16 CB TYR A 136 1.538 -4.532 -1.524 1.00 0.00 C ATOM 17 CG TYR A 136 1.466 -4.399 -0.002 1.00 0.00 C ATOM 18 CD1 TYR A 136 0.288 -4.009 0.602 1.00 0.00 C ATOM 19 CD2 TYR A 136 2.580 -4.669 0.768 1.00 0.00 C ATOM 20 CE1 TYR A 136 0.220 -3.883 2.035 1.00 0.00 C ATOM 21 CE2 TYR A 136 2.512 -4.543 2.200 1.00 0.00 C ATOM 22 CZ TYR A 136 1.336 -4.158 2.764 1.00 0.00 C ATOM 23 OH TYR A 136 1.273 -4.040 4.117 1.00 0.00 O ATOM 0 H TYR A 136 0.522 -2.126 -0.648 1.00 0.00 H new ATOM 0 HA TYR A 136 1.231 -3.273 -3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 136 1.085 -5.479 -1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 136 2.585 -4.573 -1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 136 -0.583 -3.798 -0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 136 3.502 -4.975 0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 136 -0.695 -3.577 2.520 1.00 0.00 H new ATOM 0 HE2 TYR A 136 3.376 -4.750 2.814 1.00 0.00 H new ATOM 0 HH TYR A 136 2.143 -4.269 4.506 1.00 0.00 H new ATOM 33 N VAL A 137 -0.957 -4.721 -3.172 1.00 0.00 N ATOM 34 CA VAL A 137 -2.340 -5.126 -3.364 1.00 0.00 C ATOM 35 C VAL A 137 -2.426 -6.654 -3.351 1.00 0.00 C ATOM 36 O VAL A 137 -1.438 -7.338 -3.616 1.00 0.00 O ATOM 37 CB VAL A 137 -2.892 -4.508 -4.650 1.00 0.00 C ATOM 38 CG1 VAL A 137 -3.005 -2.988 -4.522 1.00 0.00 C ATOM 39 CG2 VAL A 137 -2.036 -4.895 -5.857 1.00 0.00 C ATOM 0 H VAL A 137 -0.274 -5.278 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.962 -4.758 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 137 -3.894 -4.907 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -3.400 -2.573 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.676 -2.741 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -2.020 -2.565 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -2.451 -4.442 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.016 -4.539 -5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -2.030 -5.980 -5.966 1.00 0.00 H new ATOM 49 N ARG A 138 -3.616 -7.145 -3.038 1.00 0.00 N ATOM 50 CA ARG A 138 -3.844 -8.578 -2.986 1.00 0.00 C ATOM 51 C ARG A 138 -4.708 -9.022 -4.169 1.00 0.00 C ATOM 52 O ARG A 138 -5.828 -8.541 -4.340 1.00 0.00 O ATOM 53 CB ARG A 138 -4.534 -8.981 -1.681 1.00 0.00 C ATOM 54 CG ARG A 138 -3.977 -10.303 -1.151 1.00 0.00 C ATOM 55 CD ARG A 138 -4.477 -10.579 0.269 1.00 0.00 C ATOM 56 NE ARG A 138 -5.902 -10.975 0.236 1.00 0.00 N ATOM 57 CZ ARG A 138 -6.637 -11.227 1.328 1.00 0.00 C ATOM 58 NH1 ARG A 138 -6.086 -11.125 2.545 1.00 0.00 N ATOM 59 NH2 ARG A 138 -7.923 -11.581 1.202 1.00 0.00 N ATOM 0 H ARG A 138 -4.433 -6.575 -2.818 1.00 0.00 H new ATOM 0 HA ARG A 138 -2.872 -9.069 -3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -4.394 -8.199 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -5.607 -9.075 -1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -4.276 -11.118 -1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -2.887 -10.271 -1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -3.882 -11.370 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -4.353 -9.689 0.886 1.00 0.00 H new ATOM 0 HE ARG A 138 -6.353 -11.062 -0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -5.107 -10.855 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -6.646 -11.317 3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -8.342 -11.659 0.275 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -8.483 -11.773 2.033 1.00 0.00 H new ATOM 73 N ALA A 139 -4.157 -9.935 -4.955 1.00 0.00 N ATOM 74 CA ALA A 139 -4.862 -10.448 -6.116 1.00 0.00 C ATOM 75 C ALA A 139 -5.825 -11.553 -5.676 1.00 0.00 C ATOM 76 O ALA A 139 -5.396 -12.590 -5.171 1.00 0.00 O ATOM 77 CB ALA A 139 -3.851 -10.936 -7.155 1.00 0.00 C ATOM 0 H ALA A 139 -3.229 -10.333 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.454 -9.661 -6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -4.381 -11.321 -8.026 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.211 -10.107 -7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -3.239 -11.728 -6.723 1.00 0.00 H new ATOM 83 N LEU A 140 -7.108 -11.294 -5.882 1.00 0.00 N ATOM 84 CA LEU A 140 -8.134 -12.254 -5.512 1.00 0.00 C ATOM 85 C LEU A 140 -8.461 -13.135 -6.720 1.00 0.00 C ATOM 86 O LEU A 140 -9.564 -13.670 -6.822 1.00 0.00 O ATOM 87 CB LEU A 140 -9.352 -11.536 -4.926 1.00 0.00 C ATOM 88 CG LEU A 140 -9.061 -10.260 -4.133 1.00 0.00 C ATOM 89 CD1 LEU A 140 -7.785 -10.410 -3.303 1.00 0.00 C ATOM 90 CD2 LEU A 140 -9.006 -9.042 -5.057 1.00 0.00 C ATOM 0 H LEU A 140 -7.460 -10.433 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.772 -12.915 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -10.029 -11.286 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -9.881 -12.232 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 140 -9.881 -10.096 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -7.601 -9.489 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -7.901 -11.237 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -6.942 -10.610 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -8.798 -8.148 -4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.217 -9.182 -5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -9.964 -8.927 -5.565 1.00 0.00 H new ATOM 102 N PHE A 141 -7.483 -13.257 -7.605 1.00 0.00 N ATOM 103 CA PHE A 141 -7.653 -14.063 -8.801 1.00 0.00 C ATOM 104 C PHE A 141 -6.316 -14.647 -9.264 1.00 0.00 C ATOM 105 O PHE A 141 -5.255 -14.188 -8.845 1.00 0.00 O ATOM 106 CB PHE A 141 -8.197 -13.138 -9.892 1.00 0.00 C ATOM 107 CG PHE A 141 -8.955 -13.865 -11.004 1.00 0.00 C ATOM 108 CD1 PHE A 141 -10.228 -14.293 -10.790 1.00 0.00 C ATOM 109 CD2 PHE A 141 -8.357 -14.084 -12.205 1.00 0.00 C ATOM 110 CE1 PHE A 141 -10.933 -14.967 -11.822 1.00 0.00 C ATOM 111 CE2 PHE A 141 -9.061 -14.758 -13.237 1.00 0.00 C ATOM 112 CZ PHE A 141 -10.335 -15.186 -13.024 1.00 0.00 C ATOM 0 H PHE A 141 -6.570 -12.811 -7.517 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.330 -14.892 -8.596 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.860 -12.404 -9.434 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.367 -12.586 -10.333 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -10.703 -14.120 -9.835 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.346 -13.745 -12.374 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -11.944 -15.306 -11.653 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.586 -14.931 -14.191 1.00 0.00 H new ATOM 0 HZ PHE A 141 -10.871 -15.699 -13.809 1.00 0.00 H new ATOM 122 N ASP A 142 -6.411 -15.652 -10.123 1.00 0.00 N ATOM 123 CA ASP A 142 -5.223 -16.303 -10.647 1.00 0.00 C ATOM 124 C ASP A 142 -5.031 -15.904 -12.110 1.00 0.00 C ATOM 125 O ASP A 142 -5.957 -16.012 -12.914 1.00 0.00 O ATOM 126 CB ASP A 142 -5.357 -17.827 -10.586 1.00 0.00 C ATOM 127 CG ASP A 142 -6.792 -18.352 -10.655 1.00 0.00 C ATOM 128 OD1 ASP A 142 -7.573 -17.991 -9.748 1.00 0.00 O ATOM 129 OD2 ASP A 142 -7.076 -19.103 -11.612 1.00 0.00 O ATOM 0 H ASP A 142 -7.293 -16.031 -10.469 1.00 0.00 H new ATOM 0 HA ASP A 142 -4.373 -15.991 -10.040 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -4.787 -18.260 -11.408 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -4.901 -18.180 -9.661 1.00 0.00 H new ATOM 134 N PHE A 143 -3.823 -15.451 -12.414 1.00 0.00 N ATOM 135 CA PHE A 143 -3.499 -15.034 -13.768 1.00 0.00 C ATOM 136 C PHE A 143 -2.046 -15.370 -14.111 1.00 0.00 C ATOM 137 O PHE A 143 -1.130 -15.005 -13.376 1.00 0.00 O ATOM 138 CB PHE A 143 -3.687 -13.516 -13.826 1.00 0.00 C ATOM 139 CG PHE A 143 -3.659 -12.941 -15.243 1.00 0.00 C ATOM 140 CD1 PHE A 143 -2.471 -12.644 -15.834 1.00 0.00 C ATOM 141 CD2 PHE A 143 -4.823 -12.725 -15.913 1.00 0.00 C ATOM 142 CE1 PHE A 143 -2.445 -12.109 -17.148 1.00 0.00 C ATOM 143 CE2 PHE A 143 -4.798 -12.189 -17.227 1.00 0.00 C ATOM 144 CZ PHE A 143 -3.609 -11.893 -17.818 1.00 0.00 C ATOM 0 H PHE A 143 -3.057 -15.364 -11.746 1.00 0.00 H new ATOM 0 HA PHE A 143 -4.142 -15.551 -14.481 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -4.638 -13.260 -13.359 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.904 -13.040 -13.236 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -1.546 -12.815 -15.303 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -5.767 -12.962 -15.445 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -1.501 -11.873 -17.616 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -5.723 -12.016 -17.758 1.00 0.00 H new ATOM 0 HZ PHE A 143 -3.589 -11.487 -18.818 1.00 0.00 H new ATOM 154 N ASN A 144 -1.881 -16.063 -15.228 1.00 0.00 N ATOM 155 CA ASN A 144 -0.555 -16.453 -15.679 1.00 0.00 C ATOM 156 C ASN A 144 -0.504 -16.402 -17.207 1.00 0.00 C ATOM 157 O ASN A 144 -0.902 -17.355 -17.876 1.00 0.00 O ATOM 158 CB ASN A 144 -0.223 -17.880 -15.240 1.00 0.00 C ATOM 159 CG ASN A 144 1.260 -18.015 -14.888 1.00 0.00 C ATOM 160 OD1 ASN A 144 2.100 -18.301 -15.724 1.00 0.00 O ATOM 161 ND2 ASN A 144 1.533 -17.792 -13.606 1.00 0.00 N ATOM 0 H ASN A 144 -2.643 -16.365 -15.835 1.00 0.00 H new ATOM 0 HA ASN A 144 0.167 -15.764 -15.241 1.00 0.00 H new ATOM 0 HB2 ASN A 144 -0.831 -18.149 -14.377 1.00 0.00 H new ATOM 0 HB3 ASN A 144 -0.476 -18.578 -16.038 1.00 0.00 H new ATOM 0 HD21 ASN A 144 2.494 -17.856 -13.271 1.00 0.00 H new ATOM 0 HD22 ASN A 144 0.781 -17.556 -12.958 1.00 0.00 H new ATOM 168 N GLY A 145 -0.012 -15.282 -17.714 1.00 0.00 N ATOM 169 CA GLY A 145 0.095 -15.094 -19.151 1.00 0.00 C ATOM 170 C GLY A 145 1.497 -14.621 -19.538 1.00 0.00 C ATOM 171 O GLY A 145 2.492 -15.144 -19.039 1.00 0.00 O ATOM 0 H GLY A 145 0.317 -14.495 -17.155 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -0.131 -16.030 -19.662 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -0.644 -14.364 -19.482 1.00 0.00 H new ATOM 175 N ASN A 146 1.531 -13.637 -20.425 1.00 0.00 N ATOM 176 CA ASN A 146 2.796 -13.088 -20.886 1.00 0.00 C ATOM 177 C ASN A 146 2.560 -12.285 -22.166 1.00 0.00 C ATOM 178 O ASN A 146 2.633 -12.830 -23.267 1.00 0.00 O ATOM 179 CB ASN A 146 3.797 -14.200 -21.202 1.00 0.00 C ATOM 180 CG ASN A 146 5.023 -14.109 -20.291 1.00 0.00 C ATOM 181 OD1 ASN A 146 5.206 -14.891 -19.373 1.00 0.00 O ATOM 182 ND2 ASN A 146 5.849 -13.113 -20.595 1.00 0.00 N ATOM 0 H ASN A 146 0.703 -13.206 -20.837 1.00 0.00 H new ATOM 0 HA ASN A 146 3.199 -12.456 -20.094 1.00 0.00 H new ATOM 0 HB2 ASN A 146 3.318 -15.171 -21.078 1.00 0.00 H new ATOM 0 HB3 ASN A 146 4.108 -14.129 -22.244 1.00 0.00 H new ATOM 0 HD21 ASN A 146 6.696 -12.967 -20.046 1.00 0.00 H new ATOM 0 HD22 ASN A 146 5.636 -12.494 -21.377 1.00 0.00 H new ATOM 189 N ASP A 147 2.285 -11.003 -21.981 1.00 0.00 N ATOM 190 CA ASP A 147 2.039 -10.119 -23.108 1.00 0.00 C ATOM 191 C ASP A 147 3.275 -9.249 -23.348 1.00 0.00 C ATOM 192 O ASP A 147 3.892 -9.321 -24.410 1.00 0.00 O ATOM 193 CB ASP A 147 0.855 -9.190 -22.832 1.00 0.00 C ATOM 194 CG ASP A 147 0.063 -8.766 -24.071 1.00 0.00 C ATOM 195 OD1 ASP A 147 -0.256 -9.668 -24.877 1.00 0.00 O ATOM 196 OD2 ASP A 147 -0.204 -7.551 -24.185 1.00 0.00 O ATOM 0 H ASP A 147 2.227 -10.554 -21.067 1.00 0.00 H new ATOM 0 HA ASP A 147 1.818 -10.737 -23.978 1.00 0.00 H new ATOM 0 HB2 ASP A 147 0.177 -9.687 -22.138 1.00 0.00 H new ATOM 0 HB3 ASP A 147 1.224 -8.295 -22.331 1.00 0.00 H new ATOM 201 N GLU A 148 3.601 -8.450 -22.344 1.00 0.00 N ATOM 202 CA GLU A 148 4.752 -7.568 -22.432 1.00 0.00 C ATOM 203 C GLU A 148 4.828 -6.667 -21.197 1.00 0.00 C ATOM 204 O GLU A 148 5.901 -6.477 -20.629 1.00 0.00 O ATOM 205 CB GLU A 148 4.708 -6.736 -23.715 1.00 0.00 C ATOM 206 CG GLU A 148 3.338 -6.081 -23.897 1.00 0.00 C ATOM 207 CD GLU A 148 3.278 -5.287 -25.204 1.00 0.00 C ATOM 208 OE1 GLU A 148 3.815 -5.806 -26.207 1.00 0.00 O ATOM 209 OE2 GLU A 148 2.697 -4.182 -25.171 1.00 0.00 O ATOM 0 H GLU A 148 3.088 -8.395 -21.464 1.00 0.00 H new ATOM 0 HA GLU A 148 5.652 -8.181 -22.466 1.00 0.00 H new ATOM 0 HB2 GLU A 148 5.481 -5.968 -23.681 1.00 0.00 H new ATOM 0 HB3 GLU A 148 4.928 -7.372 -24.573 1.00 0.00 H new ATOM 0 HG2 GLU A 148 2.562 -6.847 -23.897 1.00 0.00 H new ATOM 0 HG3 GLU A 148 3.133 -5.419 -23.056 1.00 0.00 H new ATOM 216 N GLU A 149 3.674 -6.139 -20.818 1.00 0.00 N ATOM 217 CA GLU A 149 3.595 -5.263 -19.662 1.00 0.00 C ATOM 218 C GLU A 149 2.623 -5.835 -18.628 1.00 0.00 C ATOM 219 O GLU A 149 2.358 -5.205 -17.605 1.00 0.00 O ATOM 220 CB GLU A 149 3.189 -3.846 -20.072 1.00 0.00 C ATOM 221 CG GLU A 149 4.419 -2.958 -20.267 1.00 0.00 C ATOM 222 CD GLU A 149 4.885 -2.978 -21.724 1.00 0.00 C ATOM 223 OE1 GLU A 149 4.046 -2.657 -22.594 1.00 0.00 O ATOM 224 OE2 GLU A 149 6.070 -3.315 -21.936 1.00 0.00 O ATOM 0 H GLU A 149 2.785 -6.301 -21.291 1.00 0.00 H new ATOM 0 HA GLU A 149 4.584 -5.204 -19.208 1.00 0.00 H new ATOM 0 HB2 GLU A 149 2.612 -3.882 -20.996 1.00 0.00 H new ATOM 0 HB3 GLU A 149 2.542 -3.414 -19.309 1.00 0.00 H new ATOM 0 HG2 GLU A 149 4.184 -1.936 -19.971 1.00 0.00 H new ATOM 0 HG3 GLU A 149 5.226 -3.301 -19.619 1.00 0.00 H new ATOM 231 N ASP A 150 2.119 -7.022 -18.930 1.00 0.00 N ATOM 232 CA ASP A 150 1.182 -7.686 -18.041 1.00 0.00 C ATOM 233 C ASP A 150 1.953 -8.361 -16.906 1.00 0.00 C ATOM 234 O ASP A 150 3.069 -8.839 -17.108 1.00 0.00 O ATOM 235 CB ASP A 150 0.389 -8.765 -18.781 1.00 0.00 C ATOM 236 CG ASP A 150 -1.124 -8.727 -18.554 1.00 0.00 C ATOM 237 OD1 ASP A 150 -1.584 -7.726 -17.962 1.00 0.00 O ATOM 238 OD2 ASP A 150 -1.786 -9.699 -18.978 1.00 0.00 O ATOM 0 H ASP A 150 2.342 -7.541 -19.779 1.00 0.00 H new ATOM 0 HA ASP A 150 0.494 -6.934 -17.655 1.00 0.00 H new ATOM 0 HB2 ASP A 150 0.583 -8.669 -19.849 1.00 0.00 H new ATOM 0 HB3 ASP A 150 0.762 -9.742 -18.476 1.00 0.00 H new ATOM 243 N LEU A 151 1.329 -8.378 -15.737 1.00 0.00 N ATOM 244 CA LEU A 151 1.944 -8.988 -14.570 1.00 0.00 C ATOM 245 C LEU A 151 1.081 -10.160 -14.097 1.00 0.00 C ATOM 246 O LEU A 151 -0.058 -9.967 -13.676 1.00 0.00 O ATOM 247 CB LEU A 151 2.197 -7.936 -13.487 1.00 0.00 C ATOM 248 CG LEU A 151 3.266 -8.286 -12.450 1.00 0.00 C ATOM 249 CD1 LEU A 151 4.663 -8.261 -13.073 1.00 0.00 C ATOM 250 CD2 LEU A 151 3.166 -7.368 -11.230 1.00 0.00 C ATOM 0 H LEU A 151 0.405 -7.979 -15.573 1.00 0.00 H new ATOM 0 HA LEU A 151 2.923 -9.394 -14.824 1.00 0.00 H new ATOM 0 HB2 LEU A 151 2.483 -7.003 -13.974 1.00 0.00 H new ATOM 0 HB3 LEU A 151 1.259 -7.749 -12.964 1.00 0.00 H new ATOM 0 HG LEU A 151 3.086 -9.304 -12.104 1.00 0.00 H new ATOM 0 HD11 LEU A 151 5.404 -8.513 -12.315 1.00 0.00 H new ATOM 0 HD12 LEU A 151 4.713 -8.987 -13.884 1.00 0.00 H new ATOM 0 HD13 LEU A 151 4.869 -7.265 -13.464 1.00 0.00 H new ATOM 0 HD21 LEU A 151 3.937 -7.637 -10.508 1.00 0.00 H new ATOM 0 HD22 LEU A 151 3.306 -6.333 -11.541 1.00 0.00 H new ATOM 0 HD23 LEU A 151 2.184 -7.479 -10.771 1.00 0.00 H new ATOM 262 N PRO A 152 1.673 -11.382 -14.186 1.00 0.00 N ATOM 263 CA PRO A 152 0.971 -12.586 -13.773 1.00 0.00 C ATOM 264 C PRO A 152 0.909 -12.687 -12.248 1.00 0.00 C ATOM 265 O PRO A 152 1.633 -11.984 -11.545 1.00 0.00 O ATOM 266 CB PRO A 152 1.741 -13.729 -14.415 1.00 0.00 C ATOM 267 CG PRO A 152 3.105 -13.163 -14.776 1.00 0.00 C ATOM 268 CD PRO A 152 3.021 -11.648 -14.681 1.00 0.00 C ATOM 0 HA PRO A 152 -0.071 -12.597 -14.092 1.00 0.00 H new ATOM 0 HB2 PRO A 152 1.837 -14.570 -13.728 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.225 -14.098 -15.301 1.00 0.00 H new ATOM 0 HG2 PRO A 152 3.869 -13.546 -14.099 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.390 -13.467 -15.783 1.00 0.00 H new ATOM 0 HD2 PRO A 152 3.777 -11.251 -14.004 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.186 -11.181 -15.652 1.00 0.00 H new ATOM 276 N PHE A 153 0.038 -13.570 -11.781 1.00 0.00 N ATOM 277 CA PHE A 153 -0.127 -13.773 -10.351 1.00 0.00 C ATOM 278 C PHE A 153 -1.007 -14.993 -10.070 1.00 0.00 C ATOM 279 O PHE A 153 -1.393 -15.711 -10.992 1.00 0.00 O ATOM 280 CB PHE A 153 -0.816 -12.524 -9.799 1.00 0.00 C ATOM 281 CG PHE A 153 -2.127 -12.172 -10.505 1.00 0.00 C ATOM 282 CD1 PHE A 153 -3.217 -12.973 -10.355 1.00 0.00 C ATOM 283 CD2 PHE A 153 -2.203 -11.059 -11.283 1.00 0.00 C ATOM 284 CE1 PHE A 153 -4.434 -12.645 -11.010 1.00 0.00 C ATOM 285 CE2 PHE A 153 -3.420 -10.732 -11.938 1.00 0.00 C ATOM 286 CZ PHE A 153 -4.510 -11.532 -11.788 1.00 0.00 C ATOM 0 H PHE A 153 -0.560 -14.152 -12.367 1.00 0.00 H new ATOM 0 HA PHE A 153 0.843 -13.942 -9.884 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -1.015 -12.671 -8.737 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -0.133 -11.679 -9.881 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -3.157 -13.858 -9.738 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -1.338 -10.424 -11.403 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -5.299 -13.280 -10.890 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -3.480 -9.848 -12.555 1.00 0.00 H new ATOM 0 HZ PHE A 153 -5.435 -11.283 -12.286 1.00 0.00 H new ATOM 296 N LYS A 154 -1.299 -15.190 -8.793 1.00 0.00 N ATOM 297 CA LYS A 154 -2.125 -16.311 -8.378 1.00 0.00 C ATOM 298 C LYS A 154 -3.183 -15.819 -7.387 1.00 0.00 C ATOM 299 O LYS A 154 -2.933 -14.894 -6.617 1.00 0.00 O ATOM 300 CB LYS A 154 -1.256 -17.446 -7.836 1.00 0.00 C ATOM 301 CG LYS A 154 -1.604 -17.757 -6.379 1.00 0.00 C ATOM 302 CD LYS A 154 -2.720 -18.799 -6.292 1.00 0.00 C ATOM 303 CE LYS A 154 -2.180 -20.206 -6.553 1.00 0.00 C ATOM 304 NZ LYS A 154 -1.440 -20.704 -5.372 1.00 0.00 N ATOM 0 H LYS A 154 -0.978 -14.592 -8.032 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.657 -16.729 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.396 -18.339 -8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -0.204 -17.171 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -0.718 -18.124 -5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -1.915 -16.843 -5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -3.182 -18.760 -5.305 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -3.499 -18.564 -7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -3.004 -20.881 -6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -1.523 -20.194 -7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -1.271 -21.725 -5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -0.529 -20.208 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -1.999 -20.529 -4.513 1.00 0.00 H new ATOM 318 N LYS A 155 -4.340 -16.461 -7.440 1.00 0.00 N ATOM 319 CA LYS A 155 -5.437 -16.101 -6.556 1.00 0.00 C ATOM 320 C LYS A 155 -4.935 -16.082 -5.111 1.00 0.00 C ATOM 321 O LYS A 155 -4.467 -17.098 -4.599 1.00 0.00 O ATOM 322 CB LYS A 155 -6.632 -17.030 -6.781 1.00 0.00 C ATOM 323 CG LYS A 155 -7.929 -16.380 -6.293 1.00 0.00 C ATOM 324 CD LYS A 155 -7.969 -16.314 -4.766 1.00 0.00 C ATOM 325 CE LYS A 155 -7.891 -17.714 -4.154 1.00 0.00 C ATOM 326 NZ LYS A 155 -9.084 -17.984 -3.321 1.00 0.00 N ATOM 0 H LYS A 155 -4.543 -17.228 -8.081 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.797 -15.097 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -6.717 -17.269 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -6.471 -17.970 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -8.014 -15.375 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -8.784 -16.948 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -7.139 -15.708 -4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -8.887 -15.823 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -7.817 -18.460 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -6.990 -17.802 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -9.014 -18.938 -2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -9.138 -17.283 -2.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -9.940 -17.920 -3.909 1.00 0.00 H new ATOM 340 N GLY A 156 -5.051 -14.916 -4.494 1.00 0.00 N ATOM 341 CA GLY A 156 -4.616 -14.752 -3.117 1.00 0.00 C ATOM 342 C GLY A 156 -3.125 -14.414 -3.050 1.00 0.00 C ATOM 343 O GLY A 156 -2.407 -14.927 -2.194 1.00 0.00 O ATOM 0 H GLY A 156 -5.440 -14.076 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.194 -13.960 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.810 -15.668 -2.559 1.00 0.00 H new ATOM 347 N ASP A 157 -2.704 -13.554 -3.966 1.00 0.00 N ATOM 348 CA ASP A 157 -1.311 -13.143 -4.021 1.00 0.00 C ATOM 349 C ASP A 157 -1.209 -11.654 -3.683 1.00 0.00 C ATOM 350 O ASP A 157 -2.226 -10.979 -3.522 1.00 0.00 O ATOM 351 CB ASP A 157 -0.731 -13.350 -5.422 1.00 0.00 C ATOM 352 CG ASP A 157 0.793 -13.247 -5.512 1.00 0.00 C ATOM 353 OD1 ASP A 157 1.446 -14.287 -5.278 1.00 0.00 O ATOM 354 OD2 ASP A 157 1.270 -12.133 -5.814 1.00 0.00 O ATOM 0 H ASP A 157 -3.302 -13.131 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 157 -0.753 -13.747 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 157 -1.036 -14.332 -5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 157 -1.170 -12.612 -6.094 1.00 0.00 H new ATOM 359 N ILE A 158 0.025 -11.185 -3.584 1.00 0.00 N ATOM 360 CA ILE A 158 0.273 -9.788 -3.268 1.00 0.00 C ATOM 361 C ILE A 158 1.102 -9.155 -4.387 1.00 0.00 C ATOM 362 O ILE A 158 1.829 -9.851 -5.095 1.00 0.00 O ATOM 363 CB ILE A 158 0.907 -9.658 -1.883 1.00 0.00 C ATOM 364 CG1 ILE A 158 -0.128 -9.892 -0.781 1.00 0.00 C ATOM 365 CG2 ILE A 158 1.613 -8.309 -1.727 1.00 0.00 C ATOM 366 CD1 ILE A 158 -1.015 -8.660 -0.590 1.00 0.00 C ATOM 0 H ILE A 158 0.865 -11.748 -3.717 1.00 0.00 H new ATOM 0 HA ILE A 158 -0.666 -9.236 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 158 1.666 -10.433 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 158 -0.746 -10.753 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 158 0.379 -10.128 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 158 2.055 -8.243 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 158 2.396 -8.219 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 158 0.891 -7.503 -1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 158 -1.742 -8.854 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 158 -0.397 -7.806 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 158 -1.539 -8.441 -1.520 1.00 0.00 H new ATOM 378 N LEU A 159 0.967 -7.844 -4.511 1.00 0.00 N ATOM 379 CA LEU A 159 1.695 -7.110 -5.532 1.00 0.00 C ATOM 380 C LEU A 159 2.036 -5.713 -5.005 1.00 0.00 C ATOM 381 O LEU A 159 1.203 -5.065 -4.372 1.00 0.00 O ATOM 382 CB LEU A 159 0.910 -7.097 -6.845 1.00 0.00 C ATOM 383 CG LEU A 159 0.204 -8.401 -7.217 1.00 0.00 C ATOM 384 CD1 LEU A 159 -0.887 -8.156 -8.261 1.00 0.00 C ATOM 385 CD2 LEU A 159 1.211 -9.458 -7.678 1.00 0.00 C ATOM 0 H LEU A 159 0.364 -7.270 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 159 2.639 -7.606 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.163 -6.305 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.594 -6.835 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 159 -0.286 -8.790 -6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.373 -9.100 -8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.625 -7.462 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.441 -7.732 -9.161 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.683 -10.376 -7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.750 -9.091 -8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 159 1.919 -9.661 -6.874 1.00 0.00 H new ATOM 397 N ARG A 160 3.260 -5.292 -5.286 1.00 0.00 N ATOM 398 CA ARG A 160 3.720 -3.985 -4.848 1.00 0.00 C ATOM 399 C ARG A 160 3.344 -2.917 -5.877 1.00 0.00 C ATOM 400 O ARG A 160 3.914 -2.873 -6.967 1.00 0.00 O ATOM 401 CB ARG A 160 5.237 -3.976 -4.645 1.00 0.00 C ATOM 402 CG ARG A 160 5.619 -3.157 -3.409 1.00 0.00 C ATOM 403 CD ARG A 160 7.101 -3.331 -3.073 1.00 0.00 C ATOM 404 NE ARG A 160 7.261 -4.333 -1.995 1.00 0.00 N ATOM 405 CZ ARG A 160 8.446 -4.764 -1.541 1.00 0.00 C ATOM 406 NH1 ARG A 160 9.580 -4.284 -2.067 1.00 0.00 N ATOM 407 NH2 ARG A 160 8.495 -5.676 -0.559 1.00 0.00 N ATOM 0 H ARG A 160 3.947 -5.832 -5.811 1.00 0.00 H new ATOM 0 HA ARG A 160 3.235 -3.764 -3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.599 -4.998 -4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.723 -3.559 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.404 -2.103 -3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.011 -3.468 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.649 -3.649 -3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.526 -2.377 -2.760 1.00 0.00 H new ATOM 0 HE ARG A 160 6.417 -4.719 -1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 160 9.542 -3.590 -2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 160 10.482 -4.612 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 160 7.631 -6.041 -0.158 1.00 0.00 H new ATOM 0 HH22 ARG A 160 9.396 -6.005 -0.213 1.00 0.00 H new ATOM 421 N ILE A 161 2.387 -2.084 -5.495 1.00 0.00 N ATOM 422 CA ILE A 161 1.928 -1.020 -6.372 1.00 0.00 C ATOM 423 C ILE A 161 2.912 0.150 -6.304 1.00 0.00 C ATOM 424 O ILE A 161 3.205 0.658 -5.223 1.00 0.00 O ATOM 425 CB ILE A 161 0.487 -0.632 -6.034 1.00 0.00 C ATOM 426 CG1 ILE A 161 -0.494 -1.244 -7.036 1.00 0.00 C ATOM 427 CG2 ILE A 161 0.336 0.887 -5.938 1.00 0.00 C ATOM 428 CD1 ILE A 161 -0.302 -0.642 -8.429 1.00 0.00 C ATOM 0 H ILE A 161 1.917 -2.124 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 161 1.908 -1.361 -7.407 1.00 0.00 H new ATOM 0 HB ILE A 161 0.244 -1.041 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -0.349 -2.323 -7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -1.517 -1.073 -6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -0.698 1.135 -5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 161 0.993 1.269 -5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 161 0.605 1.340 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -1.012 -1.094 -9.122 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -0.472 0.434 -8.387 1.00 0.00 H new ATOM 0 HD13 ILE A 161 0.714 -0.836 -8.772 1.00 0.00 H new ATOM 440 N ARG A 162 3.395 0.543 -7.474 1.00 0.00 N ATOM 441 CA ARG A 162 4.339 1.644 -7.562 1.00 0.00 C ATOM 442 C ARG A 162 3.755 2.779 -8.404 1.00 0.00 C ATOM 443 O ARG A 162 4.139 3.937 -8.246 1.00 0.00 O ATOM 444 CB ARG A 162 5.662 1.187 -8.180 1.00 0.00 C ATOM 445 CG ARG A 162 5.432 0.530 -9.542 1.00 0.00 C ATOM 446 CD ARG A 162 6.731 0.466 -10.347 1.00 0.00 C ATOM 447 NE ARG A 162 6.569 1.189 -11.628 1.00 0.00 N ATOM 448 CZ ARG A 162 7.583 1.523 -12.436 1.00 0.00 C ATOM 449 NH1 ARG A 162 8.841 1.203 -12.100 1.00 0.00 N ATOM 450 NH2 ARG A 162 7.342 2.179 -13.580 1.00 0.00 N ATOM 0 H ARG A 162 3.150 0.119 -8.369 1.00 0.00 H new ATOM 0 HA ARG A 162 4.528 2.000 -6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 162 6.329 2.041 -8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 162 6.156 0.482 -7.511 1.00 0.00 H new ATOM 0 HG2 ARG A 162 5.037 -0.476 -9.402 1.00 0.00 H new ATOM 0 HG3 ARG A 162 4.682 1.092 -10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 162 7.546 0.905 -9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 162 6.999 -0.573 -10.538 1.00 0.00 H new ATOM 0 HE ARG A 162 5.625 1.449 -11.913 1.00 0.00 H new ATOM 0 HH11 ARG A 162 9.025 0.705 -11.229 1.00 0.00 H new ATOM 0 HH12 ARG A 162 9.614 1.457 -12.715 1.00 0.00 H new ATOM 0 HH21 ARG A 162 6.385 2.424 -13.836 1.00 0.00 H new ATOM 0 HH22 ARG A 162 8.115 2.433 -14.195 1.00 0.00 H new ATOM 464 N ASP A 163 2.834 2.408 -9.283 1.00 0.00 N ATOM 465 CA ASP A 163 2.194 3.381 -10.152 1.00 0.00 C ATOM 466 C ASP A 163 0.754 2.941 -10.427 1.00 0.00 C ATOM 467 O ASP A 163 0.442 1.753 -10.373 1.00 0.00 O ATOM 468 CB ASP A 163 2.920 3.484 -11.494 1.00 0.00 C ATOM 469 CG ASP A 163 4.106 4.452 -11.514 1.00 0.00 C ATOM 470 OD1 ASP A 163 4.224 5.225 -10.539 1.00 0.00 O ATOM 471 OD2 ASP A 163 4.867 4.397 -12.504 1.00 0.00 O ATOM 0 H ASP A 163 2.516 1.447 -9.411 1.00 0.00 H new ATOM 0 HA ASP A 163 2.222 4.349 -9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.275 2.492 -11.776 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.204 3.794 -12.255 1.00 0.00 H new ATOM 476 N LYS A 164 -0.085 3.925 -10.715 1.00 0.00 N ATOM 477 CA LYS A 164 -1.485 3.654 -10.999 1.00 0.00 C ATOM 478 C LYS A 164 -2.054 4.785 -11.859 1.00 0.00 C ATOM 479 O LYS A 164 -2.885 5.564 -11.394 1.00 0.00 O ATOM 480 CB LYS A 164 -2.259 3.420 -9.700 1.00 0.00 C ATOM 481 CG LYS A 164 -2.229 4.665 -8.811 1.00 0.00 C ATOM 482 CD LYS A 164 -1.796 4.311 -7.387 1.00 0.00 C ATOM 483 CE LYS A 164 -3.009 4.151 -6.469 1.00 0.00 C ATOM 484 NZ LYS A 164 -2.998 2.820 -5.822 1.00 0.00 N ATOM 0 H LYS A 164 0.177 4.910 -10.758 1.00 0.00 H new ATOM 0 HA LYS A 164 -1.587 2.734 -11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -3.292 3.158 -9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -1.828 2.575 -9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -1.543 5.400 -9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -3.217 5.126 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -1.219 3.386 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -1.141 5.091 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -3.002 4.932 -5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -3.927 4.275 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -3.641 2.826 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -3.312 2.100 -6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -2.034 2.597 -5.503 1.00 0.00 H new ATOM 498 N PRO A 165 -1.571 4.841 -13.128 1.00 0.00 N ATOM 499 CA PRO A 165 -2.023 5.863 -14.057 1.00 0.00 C ATOM 500 C PRO A 165 -3.431 5.555 -14.569 1.00 0.00 C ATOM 501 O PRO A 165 -4.266 6.451 -14.676 1.00 0.00 O ATOM 502 CB PRO A 165 -0.979 5.880 -15.162 1.00 0.00 C ATOM 503 CG PRO A 165 -0.236 4.558 -15.054 1.00 0.00 C ATOM 504 CD PRO A 165 -0.586 3.935 -13.712 1.00 0.00 C ATOM 0 HA PRO A 165 -2.108 6.845 -13.593 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -1.448 5.986 -16.140 1.00 0.00 H new ATOM 0 HB3 PRO A 165 -0.297 6.722 -15.042 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -0.520 3.893 -15.869 1.00 0.00 H new ATOM 0 HG3 PRO A 165 0.839 4.717 -15.132 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -0.995 2.932 -13.836 1.00 0.00 H new ATOM 0 HD3 PRO A 165 0.295 3.844 -13.076 1.00 0.00 H new ATOM 512 N GLU A 166 -3.651 4.284 -14.873 1.00 0.00 N ATOM 513 CA GLU A 166 -4.943 3.846 -15.371 1.00 0.00 C ATOM 514 C GLU A 166 -5.912 3.622 -14.209 1.00 0.00 C ATOM 515 O GLU A 166 -5.533 3.751 -13.046 1.00 0.00 O ATOM 516 CB GLU A 166 -4.804 2.581 -16.220 1.00 0.00 C ATOM 517 CG GLU A 166 -3.785 2.784 -17.343 1.00 0.00 C ATOM 518 CD GLU A 166 -2.421 2.205 -16.959 1.00 0.00 C ATOM 519 OE1 GLU A 166 -2.057 2.352 -15.772 1.00 0.00 O ATOM 520 OE2 GLU A 166 -1.775 1.631 -17.861 1.00 0.00 O ATOM 0 H GLU A 166 -2.955 3.543 -14.784 1.00 0.00 H new ATOM 0 HA GLU A 166 -5.348 4.630 -16.010 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -4.494 1.748 -15.589 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -5.772 2.316 -16.646 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -4.143 2.306 -18.255 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -3.684 3.848 -17.560 1.00 0.00 H new ATOM 527 N GLU A 167 -7.146 3.292 -14.564 1.00 0.00 N ATOM 528 CA GLU A 167 -8.172 3.049 -13.565 1.00 0.00 C ATOM 529 C GLU A 167 -8.620 1.586 -13.608 1.00 0.00 C ATOM 530 O GLU A 167 -9.816 1.301 -13.644 1.00 0.00 O ATOM 531 CB GLU A 167 -9.360 3.992 -13.759 1.00 0.00 C ATOM 532 CG GLU A 167 -9.035 5.398 -13.248 1.00 0.00 C ATOM 533 CD GLU A 167 -8.826 5.394 -11.733 1.00 0.00 C ATOM 534 OE1 GLU A 167 -9.850 5.469 -11.019 1.00 0.00 O ATOM 535 OE2 GLU A 167 -7.648 5.318 -11.322 1.00 0.00 O ATOM 0 H GLU A 167 -7.458 3.187 -15.530 1.00 0.00 H new ATOM 0 HA GLU A 167 -7.748 3.250 -12.581 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.624 4.037 -14.816 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -10.229 3.601 -13.230 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -8.137 5.770 -13.742 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -9.846 6.079 -13.505 1.00 0.00 H new ATOM 542 N GLN A 168 -7.636 0.699 -13.605 1.00 0.00 N ATOM 543 CA GLN A 168 -7.915 -0.726 -13.645 1.00 0.00 C ATOM 544 C GLN A 168 -6.617 -1.515 -13.833 1.00 0.00 C ATOM 545 O GLN A 168 -6.467 -2.609 -13.290 1.00 0.00 O ATOM 546 CB GLN A 168 -8.922 -1.058 -14.746 1.00 0.00 C ATOM 547 CG GLN A 168 -10.280 -1.437 -14.152 1.00 0.00 C ATOM 548 CD GLN A 168 -10.941 -2.555 -14.961 1.00 0.00 C ATOM 549 OE1 GLN A 168 -12.094 -2.477 -15.350 1.00 0.00 O ATOM 550 NE2 GLN A 168 -10.148 -3.597 -15.192 1.00 0.00 N ATOM 0 H GLN A 168 -6.645 0.939 -13.576 1.00 0.00 H new ATOM 0 HA GLN A 168 -8.360 -1.016 -12.693 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -9.038 -0.200 -15.408 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.544 -1.881 -15.353 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.152 -1.759 -13.118 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -10.930 -0.562 -14.135 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -9.192 -3.599 -14.837 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -10.496 -4.395 -15.724 1.00 0.00 H new ATOM 559 N TRP A 169 -5.712 -0.930 -14.603 1.00 0.00 N ATOM 560 CA TRP A 169 -4.432 -1.564 -14.869 1.00 0.00 C ATOM 561 C TRP A 169 -3.333 -0.675 -14.285 1.00 0.00 C ATOM 562 O TRP A 169 -2.942 0.318 -14.898 1.00 0.00 O ATOM 563 CB TRP A 169 -4.253 -1.832 -16.364 1.00 0.00 C ATOM 564 CG TRP A 169 -4.941 -3.108 -16.855 1.00 0.00 C ATOM 565 CD1 TRP A 169 -6.001 -3.213 -17.669 1.00 0.00 C ATOM 566 CD2 TRP A 169 -4.573 -4.464 -16.526 1.00 0.00 C ATOM 567 NE1 TRP A 169 -6.341 -4.533 -17.889 1.00 0.00 N ATOM 568 CE2 TRP A 169 -5.445 -5.317 -17.172 1.00 0.00 C ATOM 569 CE3 TRP A 169 -3.539 -4.954 -15.710 1.00 0.00 C ATOM 570 CZ2 TRP A 169 -5.370 -6.712 -17.068 1.00 0.00 C ATOM 571 CZ3 TRP A 169 -3.477 -6.350 -15.617 1.00 0.00 C ATOM 572 CH2 TRP A 169 -4.348 -7.222 -16.261 1.00 0.00 C ATOM 0 H TRP A 169 -5.840 -0.023 -15.052 1.00 0.00 H new ATOM 0 HA TRP A 169 -4.379 -2.542 -14.390 1.00 0.00 H new ATOM 0 HB2 TRP A 169 -4.644 -0.982 -16.924 1.00 0.00 H new ATOM 0 HB3 TRP A 169 -3.188 -1.898 -16.586 1.00 0.00 H new ATOM 0 HD1 TRP A 169 -6.523 -2.371 -18.099 1.00 0.00 H new ATOM 0 HE1 TRP A 169 -7.108 -4.870 -18.470 1.00 0.00 H new ATOM 0 HE3 TRP A 169 -2.846 -4.305 -15.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 -6.064 -7.359 -17.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 -2.699 -6.779 -15.003 1.00 0.00 H new ATOM 0 HH2 TRP A 169 -4.236 -8.289 -16.138 1.00 0.00 H new ATOM 583 N TRP A 170 -2.864 -1.061 -13.108 1.00 0.00 N ATOM 584 CA TRP A 170 -1.818 -0.311 -12.435 1.00 0.00 C ATOM 585 C TRP A 170 -0.513 -1.098 -12.568 1.00 0.00 C ATOM 586 O TRP A 170 -0.524 -2.269 -12.941 1.00 0.00 O ATOM 587 CB TRP A 170 -2.198 -0.023 -10.981 1.00 0.00 C ATOM 588 CG TRP A 170 -3.478 0.800 -10.823 1.00 0.00 C ATOM 589 CD1 TRP A 170 -4.151 1.468 -11.770 1.00 0.00 C ATOM 590 CD2 TRP A 170 -4.216 1.017 -9.602 1.00 0.00 C ATOM 591 NE1 TRP A 170 -5.264 2.096 -11.251 1.00 0.00 N ATOM 592 CE2 TRP A 170 -5.304 1.814 -9.890 1.00 0.00 C ATOM 593 CE3 TRP A 170 -3.971 0.555 -8.297 1.00 0.00 C ATOM 594 CZ2 TRP A 170 -6.235 2.218 -8.926 1.00 0.00 C ATOM 595 CZ3 TRP A 170 -4.910 0.968 -7.344 1.00 0.00 C ATOM 596 CH2 TRP A 170 -6.011 1.770 -7.618 1.00 0.00 C ATOM 0 H TRP A 170 -3.190 -1.885 -12.603 1.00 0.00 H new ATOM 0 HA TRP A 170 -1.684 0.666 -12.899 1.00 0.00 H new ATOM 0 HB2 TRP A 170 -2.319 -0.969 -10.454 1.00 0.00 H new ATOM 0 HB3 TRP A 170 -1.376 0.507 -10.500 1.00 0.00 H new ATOM 0 HD1 TRP A 170 -3.859 1.509 -12.809 1.00 0.00 H new ATOM 0 HE1 TRP A 170 -5.934 2.663 -11.770 1.00 0.00 H new ATOM 0 HE3 TRP A 170 -3.125 -0.069 -8.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 -7.080 2.841 -9.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 -4.769 0.640 -6.325 1.00 0.00 H new ATOM 0 HH2 TRP A 170 -6.691 2.047 -6.826 1.00 0.00 H new ATOM 607 N ASN A 171 0.583 -0.420 -12.255 1.00 0.00 N ATOM 608 CA ASN A 171 1.894 -1.042 -12.335 1.00 0.00 C ATOM 609 C ASN A 171 2.374 -1.394 -10.925 1.00 0.00 C ATOM 610 O ASN A 171 2.711 -0.508 -10.141 1.00 0.00 O ATOM 611 CB ASN A 171 2.918 -0.091 -12.958 1.00 0.00 C ATOM 612 CG ASN A 171 3.745 -0.802 -14.030 1.00 0.00 C ATOM 613 OD1 ASN A 171 3.453 -0.747 -15.214 1.00 0.00 O ATOM 614 ND2 ASN A 171 4.791 -1.470 -13.553 1.00 0.00 N ATOM 0 H ASN A 171 0.589 0.552 -11.946 1.00 0.00 H new ATOM 0 HA ASN A 171 1.806 -1.934 -12.955 1.00 0.00 H new ATOM 0 HB2 ASN A 171 2.405 0.764 -13.397 1.00 0.00 H new ATOM 0 HB3 ASN A 171 3.578 0.297 -12.182 1.00 0.00 H new ATOM 0 HD21 ASN A 171 5.406 -1.977 -14.190 1.00 0.00 H new ATOM 0 HD22 ASN A 171 4.979 -1.475 -12.550 1.00 0.00 H new ATOM 621 N ALA A 172 2.388 -2.688 -10.645 1.00 0.00 N ATOM 622 CA ALA A 172 2.821 -3.168 -9.343 1.00 0.00 C ATOM 623 C ALA A 172 3.765 -4.358 -9.531 1.00 0.00 C ATOM 624 O ALA A 172 3.853 -4.920 -10.621 1.00 0.00 O ATOM 625 CB ALA A 172 1.596 -3.524 -8.497 1.00 0.00 C ATOM 0 H ALA A 172 2.106 -3.420 -11.297 1.00 0.00 H new ATOM 0 HA ALA A 172 3.371 -2.392 -8.811 1.00 0.00 H new ATOM 0 HB1 ALA A 172 1.920 -3.884 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 172 0.973 -2.639 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 172 1.021 -4.303 -8.998 1.00 0.00 H new ATOM 631 N GLU A 173 4.449 -4.705 -8.451 1.00 0.00 N ATOM 632 CA GLU A 173 5.383 -5.817 -8.482 1.00 0.00 C ATOM 633 C GLU A 173 4.673 -7.118 -8.102 1.00 0.00 C ATOM 634 O GLU A 173 3.651 -7.095 -7.420 1.00 0.00 O ATOM 635 CB GLU A 173 6.578 -5.556 -7.563 1.00 0.00 C ATOM 636 CG GLU A 173 7.633 -4.698 -8.264 1.00 0.00 C ATOM 637 CD GLU A 173 7.351 -3.208 -8.063 1.00 0.00 C ATOM 638 OE1 GLU A 173 6.392 -2.721 -8.700 1.00 0.00 O ATOM 639 OE2 GLU A 173 8.100 -2.589 -7.276 1.00 0.00 O ATOM 0 H GLU A 173 4.375 -4.235 -7.549 1.00 0.00 H new ATOM 0 HA GLU A 173 5.764 -5.917 -9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 173 6.241 -5.055 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 173 7.020 -6.504 -7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 173 8.622 -4.940 -7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 173 7.645 -4.929 -9.329 1.00 0.00 H new ATOM 646 N ASP A 174 5.245 -8.223 -8.560 1.00 0.00 N ATOM 647 CA ASP A 174 4.680 -9.531 -8.277 1.00 0.00 C ATOM 648 C ASP A 174 5.257 -10.057 -6.961 1.00 0.00 C ATOM 649 O ASP A 174 5.794 -9.289 -6.164 1.00 0.00 O ATOM 650 CB ASP A 174 5.030 -10.532 -9.381 1.00 0.00 C ATOM 651 CG ASP A 174 3.830 -11.227 -10.025 1.00 0.00 C ATOM 652 OD1 ASP A 174 2.713 -10.683 -9.881 1.00 0.00 O ATOM 653 OD2 ASP A 174 4.055 -12.286 -10.650 1.00 0.00 O ATOM 0 H ASP A 174 6.094 -8.238 -9.125 1.00 0.00 H new ATOM 0 HA ASP A 174 3.597 -9.425 -8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 174 5.590 -10.012 -10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 174 5.692 -11.292 -8.966 1.00 0.00 H new ATOM 658 N SER A 175 5.127 -11.362 -6.775 1.00 0.00 N ATOM 659 CA SER A 175 5.629 -11.999 -5.570 1.00 0.00 C ATOM 660 C SER A 175 7.140 -12.215 -5.682 1.00 0.00 C ATOM 661 O SER A 175 7.742 -12.871 -4.832 1.00 0.00 O ATOM 662 CB SER A 175 4.921 -13.332 -5.316 1.00 0.00 C ATOM 663 OG SER A 175 5.446 -14.007 -4.177 1.00 0.00 O ATOM 0 H SER A 175 4.681 -11.996 -7.439 1.00 0.00 H new ATOM 0 HA SER A 175 5.424 -11.341 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 175 3.855 -13.155 -5.173 1.00 0.00 H new ATOM 0 HB3 SER A 175 5.023 -13.970 -6.194 1.00 0.00 H new ATOM 0 HG SER A 175 6.403 -13.813 -4.094 1.00 0.00 H new ATOM 669 N GLU A 176 7.710 -11.650 -6.736 1.00 0.00 N ATOM 670 CA GLU A 176 9.138 -11.771 -6.970 1.00 0.00 C ATOM 671 C GLU A 176 9.754 -10.394 -7.223 1.00 0.00 C ATOM 672 O GLU A 176 10.971 -10.269 -7.359 1.00 0.00 O ATOM 673 CB GLU A 176 9.425 -12.722 -8.134 1.00 0.00 C ATOM 674 CG GLU A 176 9.063 -14.163 -7.768 1.00 0.00 C ATOM 675 CD GLU A 176 10.314 -15.041 -7.702 1.00 0.00 C ATOM 676 OE1 GLU A 176 10.934 -15.227 -8.773 1.00 0.00 O ATOM 677 OE2 GLU A 176 10.622 -15.509 -6.586 1.00 0.00 O ATOM 0 H GLU A 176 7.208 -11.107 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 176 9.597 -12.194 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 176 8.856 -12.412 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 176 10.480 -12.665 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 176 8.551 -14.180 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 176 8.369 -14.566 -8.506 1.00 0.00 H new ATOM 684 N GLY A 177 8.886 -9.394 -7.276 1.00 0.00 N ATOM 685 CA GLY A 177 9.330 -8.031 -7.510 1.00 0.00 C ATOM 686 C GLY A 177 9.091 -7.618 -8.964 1.00 0.00 C ATOM 687 O GLY A 177 9.201 -6.441 -9.305 1.00 0.00 O ATOM 0 H GLY A 177 7.878 -9.501 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 177 8.798 -7.352 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 177 10.390 -7.945 -7.273 1.00 0.00 H new ATOM 691 N LYS A 178 8.768 -8.608 -9.782 1.00 0.00 N ATOM 692 CA LYS A 178 8.513 -8.363 -11.191 1.00 0.00 C ATOM 693 C LYS A 178 7.471 -7.251 -11.330 1.00 0.00 C ATOM 694 O LYS A 178 6.314 -7.430 -10.954 1.00 0.00 O ATOM 695 CB LYS A 178 8.125 -9.662 -11.899 1.00 0.00 C ATOM 696 CG LYS A 178 9.335 -10.585 -12.054 1.00 0.00 C ATOM 697 CD LYS A 178 9.441 -11.115 -13.485 1.00 0.00 C ATOM 698 CE LYS A 178 10.903 -11.306 -13.893 1.00 0.00 C ATOM 699 NZ LYS A 178 11.580 -9.995 -14.017 1.00 0.00 N ATOM 0 H LYS A 178 8.677 -9.583 -9.496 1.00 0.00 H new ATOM 0 HA LYS A 178 9.419 -8.015 -11.688 1.00 0.00 H new ATOM 0 HB2 LYS A 178 7.346 -10.171 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 178 7.708 -9.435 -12.880 1.00 0.00 H new ATOM 0 HG2 LYS A 178 10.245 -10.044 -11.795 1.00 0.00 H new ATOM 0 HG3 LYS A 178 9.251 -11.420 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 178 8.911 -12.064 -13.565 1.00 0.00 H new ATOM 0 HD3 LYS A 178 8.956 -10.420 -14.171 1.00 0.00 H new ATOM 0 HE2 LYS A 178 11.417 -11.919 -13.152 1.00 0.00 H new ATOM 0 HE3 LYS A 178 10.956 -11.841 -14.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 12.374 -10.076 -14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 10.904 -9.287 -14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 11.938 -9.700 -13.086 1.00 0.00 H new ATOM 713 N ARG A 179 7.919 -6.128 -11.871 1.00 0.00 N ATOM 714 CA ARG A 179 7.039 -4.988 -12.064 1.00 0.00 C ATOM 715 C ARG A 179 6.308 -5.102 -13.403 1.00 0.00 C ATOM 716 O ARG A 179 6.940 -5.174 -14.455 1.00 0.00 O ATOM 717 CB ARG A 179 7.825 -3.675 -12.030 1.00 0.00 C ATOM 718 CG ARG A 179 8.916 -3.716 -10.959 1.00 0.00 C ATOM 719 CD ARG A 179 10.228 -3.131 -11.488 1.00 0.00 C ATOM 720 NE ARG A 179 11.309 -4.135 -11.380 1.00 0.00 N ATOM 721 CZ ARG A 179 11.566 -5.065 -12.310 1.00 0.00 C ATOM 722 NH1 ARG A 179 10.821 -5.125 -13.422 1.00 0.00 N ATOM 723 NH2 ARG A 179 12.569 -5.935 -12.127 1.00 0.00 N ATOM 0 H ARG A 179 8.880 -5.983 -12.182 1.00 0.00 H new ATOM 0 HA ARG A 179 6.314 -4.987 -11.250 1.00 0.00 H new ATOM 0 HB2 ARG A 179 8.275 -3.491 -13.006 1.00 0.00 H new ATOM 0 HB3 ARG A 179 7.146 -2.846 -11.831 1.00 0.00 H new ATOM 0 HG2 ARG A 179 8.591 -3.155 -10.083 1.00 0.00 H new ATOM 0 HG3 ARG A 179 9.076 -4.745 -10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.107 -2.825 -12.527 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.492 -2.238 -10.922 1.00 0.00 H new ATOM 0 HE ARG A 179 11.895 -4.118 -10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 179 10.058 -4.463 -13.561 1.00 0.00 H new ATOM 0 HH12 ARG A 179 11.017 -5.833 -14.130 1.00 0.00 H new ATOM 0 HH21 ARG A 179 13.136 -5.889 -11.280 1.00 0.00 H new ATOM 0 HH22 ARG A 179 12.765 -6.643 -12.834 1.00 0.00 H new ATOM 737 N GLY A 180 4.986 -5.116 -13.320 1.00 0.00 N ATOM 738 CA GLY A 180 4.162 -5.219 -14.512 1.00 0.00 C ATOM 739 C GLY A 180 2.774 -4.620 -14.273 1.00 0.00 C ATOM 740 O GLY A 180 2.568 -3.887 -13.307 1.00 0.00 O ATOM 0 H GLY A 180 4.465 -5.058 -12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 180 4.647 -4.702 -15.340 1.00 0.00 H new ATOM 0 HA3 GLY A 180 4.065 -6.265 -14.802 1.00 0.00 H new ATOM 744 N MET A 181 1.859 -4.954 -15.171 1.00 0.00 N ATOM 745 CA MET A 181 0.497 -4.458 -15.070 1.00 0.00 C ATOM 746 C MET A 181 -0.410 -5.482 -14.384 1.00 0.00 C ATOM 747 O MET A 181 -0.503 -6.627 -14.823 1.00 0.00 O ATOM 748 CB MET A 181 -0.041 -4.156 -16.470 1.00 0.00 C ATOM 749 CG MET A 181 -1.158 -3.112 -16.415 1.00 0.00 C ATOM 750 SD MET A 181 -0.631 -1.612 -17.225 1.00 0.00 S ATOM 751 CE MET A 181 0.206 -0.805 -15.871 1.00 0.00 C ATOM 0 H MET A 181 2.034 -5.562 -15.971 1.00 0.00 H new ATOM 0 HA MET A 181 0.505 -3.548 -14.470 1.00 0.00 H new ATOM 0 HB2 MET A 181 0.768 -3.795 -17.104 1.00 0.00 H new ATOM 0 HB3 MET A 181 -0.417 -5.073 -16.924 1.00 0.00 H new ATOM 0 HG2 MET A 181 -2.054 -3.501 -16.898 1.00 0.00 H new ATOM 0 HG3 MET A 181 -1.420 -2.902 -15.378 1.00 0.00 H new ATOM 0 HE1 MET A 181 0.926 -0.087 -16.264 1.00 0.00 H new ATOM 0 HE2 MET A 181 -0.524 -0.285 -15.250 1.00 0.00 H new ATOM 0 HE3 MET A 181 0.728 -1.550 -15.270 1.00 0.00 H new ATOM 761 N ILE A 182 -1.055 -5.031 -13.318 1.00 0.00 N ATOM 762 CA ILE A 182 -1.952 -5.894 -12.567 1.00 0.00 C ATOM 763 C ILE A 182 -3.348 -5.268 -12.535 1.00 0.00 C ATOM 764 O ILE A 182 -3.484 -4.046 -12.547 1.00 0.00 O ATOM 765 CB ILE A 182 -1.377 -6.185 -11.179 1.00 0.00 C ATOM 766 CG1 ILE A 182 -1.646 -5.025 -10.219 1.00 0.00 C ATOM 767 CG2 ILE A 182 0.112 -6.527 -11.263 1.00 0.00 C ATOM 768 CD1 ILE A 182 -0.847 -3.784 -10.621 1.00 0.00 C ATOM 0 H ILE A 182 -0.975 -4.081 -12.957 1.00 0.00 H new ATOM 0 HA ILE A 182 -2.048 -6.863 -13.057 1.00 0.00 H new ATOM 0 HB ILE A 182 -1.886 -7.060 -10.775 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -2.711 -4.791 -10.215 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -1.381 -5.320 -9.204 1.00 0.00 H new ATOM 0 HG21 ILE A 182 0.496 -6.729 -10.263 1.00 0.00 H new ATOM 0 HG22 ILE A 182 0.248 -7.409 -11.889 1.00 0.00 H new ATOM 0 HG23 ILE A 182 0.654 -5.687 -11.697 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -1.057 -2.974 -9.922 1.00 0.00 H new ATOM 0 HD12 ILE A 182 0.218 -4.015 -10.600 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -1.132 -3.478 -11.627 1.00 0.00 H new ATOM 780 N PRO A 183 -4.376 -6.157 -12.493 1.00 0.00 N ATOM 781 CA PRO A 183 -5.756 -5.703 -12.459 1.00 0.00 C ATOM 782 C PRO A 183 -6.121 -5.163 -11.075 1.00 0.00 C ATOM 783 O PRO A 183 -5.891 -5.826 -10.065 1.00 0.00 O ATOM 784 CB PRO A 183 -6.578 -6.918 -12.859 1.00 0.00 C ATOM 785 CG PRO A 183 -5.673 -8.122 -12.650 1.00 0.00 C ATOM 786 CD PRO A 183 -4.252 -7.611 -12.477 1.00 0.00 C ATOM 0 HA PRO A 183 -5.943 -4.871 -13.137 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.479 -6.997 -12.251 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -6.900 -6.847 -13.898 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -5.985 -8.687 -11.772 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -5.734 -8.799 -13.502 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -3.817 -7.961 -11.541 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -3.604 -7.962 -13.281 1.00 0.00 H new ATOM 794 N VAL A 184 -6.687 -3.965 -11.073 1.00 0.00 N ATOM 795 CA VAL A 184 -7.086 -3.327 -9.830 1.00 0.00 C ATOM 796 C VAL A 184 -8.365 -3.989 -9.311 1.00 0.00 C ATOM 797 O VAL A 184 -8.578 -4.074 -8.103 1.00 0.00 O ATOM 798 CB VAL A 184 -7.236 -1.819 -10.039 1.00 0.00 C ATOM 799 CG1 VAL A 184 -7.786 -1.143 -8.782 1.00 0.00 C ATOM 800 CG2 VAL A 184 -5.908 -1.190 -10.465 1.00 0.00 C ATOM 0 H VAL A 184 -6.879 -3.419 -11.913 1.00 0.00 H new ATOM 0 HA VAL A 184 -6.318 -3.460 -9.068 1.00 0.00 H new ATOM 0 HB VAL A 184 -7.954 -1.662 -10.844 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -7.883 -0.072 -8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -8.764 -1.561 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -7.104 -1.314 -7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -6.042 -0.118 -10.607 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -5.159 -1.363 -9.692 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -5.575 -1.641 -11.400 1.00 0.00 H new ATOM 810 N PRO A 185 -9.204 -4.453 -10.276 1.00 0.00 N ATOM 811 CA PRO A 185 -10.456 -5.104 -9.928 1.00 0.00 C ATOM 812 C PRO A 185 -10.210 -6.523 -9.411 1.00 0.00 C ATOM 813 O PRO A 185 -11.024 -7.064 -8.663 1.00 0.00 O ATOM 814 CB PRO A 185 -11.282 -5.072 -11.204 1.00 0.00 C ATOM 815 CG PRO A 185 -10.297 -4.826 -12.334 1.00 0.00 C ATOM 816 CD PRO A 185 -8.985 -4.370 -11.717 1.00 0.00 C ATOM 0 HA PRO A 185 -10.981 -4.601 -9.116 1.00 0.00 H new ATOM 0 HB2 PRO A 185 -11.814 -6.012 -11.348 1.00 0.00 H new ATOM 0 HB3 PRO A 185 -12.033 -4.284 -11.163 1.00 0.00 H new ATOM 0 HG2 PRO A 185 -10.149 -5.735 -12.916 1.00 0.00 H new ATOM 0 HG3 PRO A 185 -10.681 -4.069 -13.017 1.00 0.00 H new ATOM 0 HD2 PRO A 185 -8.158 -5.008 -12.029 1.00 0.00 H new ATOM 0 HD3 PRO A 185 -8.736 -3.353 -12.022 1.00 0.00 H new ATOM 824 N TYR A 186 -9.086 -7.084 -9.829 1.00 0.00 N ATOM 825 CA TYR A 186 -8.723 -8.430 -9.417 1.00 0.00 C ATOM 826 C TYR A 186 -7.729 -8.398 -8.255 1.00 0.00 C ATOM 827 O TYR A 186 -7.278 -9.444 -7.789 1.00 0.00 O ATOM 828 CB TYR A 186 -8.052 -9.076 -10.631 1.00 0.00 C ATOM 829 CG TYR A 186 -9.029 -9.511 -11.724 1.00 0.00 C ATOM 830 CD1 TYR A 186 -9.921 -8.601 -12.255 1.00 0.00 C ATOM 831 CD2 TYR A 186 -9.019 -10.814 -12.181 1.00 0.00 C ATOM 832 CE1 TYR A 186 -10.841 -9.009 -13.284 1.00 0.00 C ATOM 833 CE2 TYR A 186 -9.939 -11.223 -13.211 1.00 0.00 C ATOM 834 CZ TYR A 186 -10.805 -10.301 -13.711 1.00 0.00 C ATOM 835 OH TYR A 186 -11.673 -10.687 -14.684 1.00 0.00 O ATOM 0 H TYR A 186 -8.414 -6.632 -10.449 1.00 0.00 H new ATOM 0 HA TYR A 186 -9.603 -8.980 -9.084 1.00 0.00 H new ATOM 0 HB2 TYR A 186 -7.338 -8.371 -11.056 1.00 0.00 H new ATOM 0 HB3 TYR A 186 -7.484 -9.945 -10.299 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -9.929 -7.582 -11.898 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -8.321 -11.526 -11.766 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -11.543 -8.306 -13.707 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -9.941 -12.239 -13.578 1.00 0.00 H new ATOM 0 HH TYR A 186 -11.533 -11.635 -14.890 1.00 0.00 H new ATOM 845 N VAL A 187 -7.413 -7.187 -7.821 1.00 0.00 N ATOM 846 CA VAL A 187 -6.480 -7.005 -6.723 1.00 0.00 C ATOM 847 C VAL A 187 -7.039 -5.964 -5.751 1.00 0.00 C ATOM 848 O VAL A 187 -7.701 -5.015 -6.166 1.00 0.00 O ATOM 849 CB VAL A 187 -5.097 -6.634 -7.266 1.00 0.00 C ATOM 850 CG1 VAL A 187 -4.743 -7.484 -8.487 1.00 0.00 C ATOM 851 CG2 VAL A 187 -5.021 -5.143 -7.596 1.00 0.00 C ATOM 0 H VAL A 187 -7.787 -6.322 -8.210 1.00 0.00 H new ATOM 0 HA VAL A 187 -6.358 -7.935 -6.168 1.00 0.00 H new ATOM 0 HB VAL A 187 -4.363 -6.843 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -3.756 -7.201 -8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.738 -8.538 -8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.482 -7.320 -9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.029 -4.905 -7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -5.770 -4.899 -8.350 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -5.210 -4.561 -6.694 1.00 0.00 H new ATOM 861 N GLU A 188 -6.751 -6.177 -4.475 1.00 0.00 N ATOM 862 CA GLU A 188 -7.217 -5.270 -3.441 1.00 0.00 C ATOM 863 C GLU A 188 -6.067 -4.382 -2.957 1.00 0.00 C ATOM 864 O GLU A 188 -4.937 -4.844 -2.817 1.00 0.00 O ATOM 865 CB GLU A 188 -7.841 -6.040 -2.277 1.00 0.00 C ATOM 866 CG GLU A 188 -9.274 -5.571 -2.013 1.00 0.00 C ATOM 867 CD GLU A 188 -9.285 -4.200 -1.335 1.00 0.00 C ATOM 868 OE1 GLU A 188 -9.153 -4.181 -0.091 1.00 0.00 O ATOM 869 OE2 GLU A 188 -9.425 -3.201 -2.074 1.00 0.00 O ATOM 0 H GLU A 188 -6.200 -6.965 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 188 -7.990 -4.631 -3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -7.839 -7.107 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -7.238 -5.901 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -9.823 -5.520 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -9.788 -6.297 -1.383 1.00 0.00 H new ATOM 876 N LYS A 189 -6.398 -3.121 -2.716 1.00 0.00 N ATOM 877 CA LYS A 189 -5.409 -2.164 -2.252 1.00 0.00 C ATOM 878 C LYS A 189 -5.312 -2.236 -0.727 1.00 0.00 C ATOM 879 O LYS A 189 -6.245 -1.853 -0.024 1.00 0.00 O ATOM 880 CB LYS A 189 -5.727 -0.764 -2.782 1.00 0.00 C ATOM 881 CG LYS A 189 -4.474 0.114 -2.797 1.00 0.00 C ATOM 882 CD LYS A 189 -4.190 0.688 -1.407 1.00 0.00 C ATOM 883 CE LYS A 189 -3.419 2.005 -1.504 1.00 0.00 C ATOM 884 NZ LYS A 189 -1.969 1.772 -1.322 1.00 0.00 N ATOM 0 H LYS A 189 -7.337 -2.741 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 189 -4.424 -2.413 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -6.136 -0.837 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -6.493 -0.301 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -3.619 -0.472 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -4.604 0.928 -3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -5.129 0.851 -0.878 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -3.616 -0.031 -0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -3.600 2.468 -2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -3.779 2.701 -0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 -1.652 2.226 -0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 -1.786 0.750 -1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 -1.449 2.176 -2.127 1.00 0.00 H new ATOM 898 N TYR A 190 -4.175 -2.731 -0.260 1.00 0.00 N ATOM 899 CA TYR A 190 -3.944 -2.858 1.169 1.00 0.00 C ATOM 900 C TYR A 190 -3.109 -1.690 1.696 1.00 0.00 C ATOM 901 O TYR A 190 -3.372 -1.174 2.781 1.00 0.00 O ATOM 902 CB TYR A 190 -3.156 -4.156 1.354 1.00 0.00 C ATOM 903 CG TYR A 190 -3.309 -4.783 2.741 1.00 0.00 C ATOM 904 CD1 TYR A 190 -2.992 -4.052 3.868 1.00 0.00 C ATOM 905 CD2 TYR A 190 -3.764 -6.081 2.867 1.00 0.00 C ATOM 906 CE1 TYR A 190 -3.135 -4.642 5.174 1.00 0.00 C ATOM 907 CE2 TYR A 190 -3.906 -6.671 4.174 1.00 0.00 C ATOM 908 CZ TYR A 190 -3.585 -5.922 5.262 1.00 0.00 C ATOM 909 OH TYR A 190 -3.720 -6.479 6.495 1.00 0.00 O ATOM 0 H TYR A 190 -3.403 -3.049 -0.846 1.00 0.00 H new ATOM 0 HA TYR A 190 -4.889 -2.861 1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 190 -3.480 -4.876 0.603 1.00 0.00 H new ATOM 0 HB3 TYR A 190 -2.100 -3.958 1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 190 -2.636 -3.037 3.770 1.00 0.00 H new ATOM 0 HD2 TYR A 190 -4.013 -6.654 1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 190 -2.890 -4.080 6.063 1.00 0.00 H new ATOM 0 HE2 TYR A 190 -4.259 -7.685 4.287 1.00 0.00 H new ATOM 0 HH TYR A 190 -4.052 -7.397 6.405 1.00 0.00 H new ATOM 919 N GLY A 191 -2.121 -1.305 0.902 1.00 0.00 N ATOM 920 CA GLY A 191 -1.245 -0.207 1.275 1.00 0.00 C ATOM 921 C GLY A 191 0.217 -0.547 0.982 1.00 0.00 C ATOM 922 O GLY A 191 0.776 -1.466 1.578 1.00 0.00 O ATOM 0 H GLY A 191 -1.907 -1.734 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 191 -1.530 0.692 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 191 -1.365 0.014 2.336 1.00 0.00 H new TER 926 GLY A 191