USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 487 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 139 HIS :FLIP no HD1:sc= 0.108 F(o=-3.4,f=-1.4) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.49 F(o=-3.1!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0364 USER MOD Single : A 145 GLN : amide:sc= -8.72! C(o=-8.7!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.237 K(o=0.24,f=-0.9) USER MOD Single : A 149 TYR OH : rot -95:sc= 0.0253 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.27! C(o=-8.3!,f=-9.6!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.017) USER MOD Single : A 161 LYS NZ :NH3+ -146:sc= -0.0345 (180deg=-1.06) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 158:sc= -0.011 (180deg=-0.201) USER MOD Single : A 164 LYS NZ :NH3+ 169:sc= -1.13 (180deg=-1.7) USER MOD Single : A 165 SER OG : rot 83:sc= -0.605! USER MOD Single : A 166 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0811) USER MOD Single : A 168 ASN : amide:sc=-0.000412 X(o=-0.00041,f=0) USER MOD Single : A 169 LYS NZ :NH3+ -164:sc=-0.00648 (180deg=-0.217) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.794 (180deg=-1.52!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00677 (180deg=-0.074) USER MOD Single : A 188 THR OG1 : rot -157:sc= -0.376 USER MOD Single : A 197 ASN : amide:sc= -0.079 K(o=-0.079,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 18.571 0.420 4.104 1.00 0.00 N ATOM 2 CA GLU A 133 17.972 -0.506 5.107 1.00 0.00 C ATOM 3 C GLU A 133 16.990 -1.440 4.410 1.00 0.00 C ATOM 4 O GLU A 133 15.949 -1.791 4.965 1.00 0.00 O ATOM 5 CB GLU A 133 17.244 0.310 6.178 1.00 0.00 C ATOM 6 CG GLU A 133 18.246 1.211 6.903 1.00 0.00 C ATOM 7 CD GLU A 133 17.534 2.018 7.985 1.00 0.00 C ATOM 8 OE1 GLU A 133 17.045 3.090 7.670 1.00 0.00 O ATOM 9 OE2 GLU A 133 17.490 1.550 9.109 1.00 0.00 O ATOM 0 HA GLU A 133 18.757 -1.098 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 133 16.461 0.914 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 133 16.757 -0.357 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 133 19.035 0.606 7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 133 18.724 1.884 6.191 1.00 0.00 H new ATOM 18 N ALA A 134 17.329 -1.841 3.188 1.00 0.00 N ATOM 19 CA ALA A 134 16.468 -2.736 2.423 1.00 0.00 C ATOM 20 C ALA A 134 15.050 -2.180 2.346 1.00 0.00 C ATOM 21 O ALA A 134 14.749 -1.138 2.927 1.00 0.00 O ATOM 22 CB ALA A 134 16.440 -4.119 3.076 1.00 0.00 C ATOM 0 H ALA A 134 18.186 -1.563 2.710 1.00 0.00 H new ATOM 0 HA ALA A 134 16.869 -2.819 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.795 -4.781 2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.450 -4.529 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.056 -4.034 4.092 1.00 0.00 H new ATOM 28 N CYS A 135 14.183 -2.881 1.621 1.00 0.00 N ATOM 29 CA CYS A 135 12.798 -2.446 1.475 1.00 0.00 C ATOM 30 C CYS A 135 12.103 -2.415 2.833 1.00 0.00 C ATOM 31 O CYS A 135 12.493 -3.131 3.755 1.00 0.00 O ATOM 32 CB CYS A 135 12.058 -3.388 0.522 1.00 0.00 C ATOM 33 SG CYS A 135 12.683 -3.141 -1.162 1.00 0.00 S ATOM 0 H CYS A 135 14.412 -3.745 1.130 1.00 0.00 H new ATOM 0 HA CYS A 135 12.786 -1.438 1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.204 -4.424 0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.986 -3.193 0.558 1.00 0.00 H new ATOM 38 N GLN A 136 11.074 -1.573 2.951 1.00 0.00 N ATOM 39 CA GLN A 136 10.328 -1.442 4.207 1.00 0.00 C ATOM 40 C GLN A 136 8.849 -1.719 3.976 1.00 0.00 C ATOM 41 O GLN A 136 8.296 -1.356 2.940 1.00 0.00 O ATOM 42 CB GLN A 136 10.498 -0.027 4.767 1.00 0.00 C ATOM 43 CG GLN A 136 11.965 0.204 5.133 1.00 0.00 C ATOM 44 CD GLN A 136 12.158 1.630 5.637 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.517 2.038 6.605 1.00 0.00 O ATOM 46 NE2 GLN A 136 13.009 2.415 5.036 1.00 0.00 N ATOM 0 H GLN A 136 10.739 -0.974 2.197 1.00 0.00 H new ATOM 0 HA GLN A 136 10.719 -2.167 4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.176 0.708 4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.868 0.106 5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.273 -0.506 5.900 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.598 0.028 4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.539 2.074 4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.145 3.370 5.368 1.00 0.00 H new ATOM 55 N PHE A 137 8.212 -2.372 4.945 1.00 0.00 N ATOM 56 CA PHE A 137 6.791 -2.706 4.838 1.00 0.00 C ATOM 57 C PHE A 137 5.940 -1.700 5.615 1.00 0.00 C ATOM 58 O PHE A 137 6.291 -1.302 6.726 1.00 0.00 O ATOM 59 CB PHE A 137 6.559 -4.124 5.380 1.00 0.00 C ATOM 60 CG PHE A 137 5.074 -4.404 5.507 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.232 -4.250 4.398 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.539 -4.814 6.738 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.866 -4.506 4.517 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.168 -5.072 6.854 1.00 0.00 C ATOM 65 CZ PHE A 137 2.331 -4.918 5.744 1.00 0.00 C ATOM 0 H PHE A 137 8.654 -2.680 5.811 1.00 0.00 H new ATOM 0 HA PHE A 137 6.495 -2.664 3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.018 -4.855 4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.041 -4.232 6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.641 -3.933 3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.185 -4.930 7.596 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.219 -4.386 3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.757 -5.390 7.801 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.273 -5.117 5.833 1.00 0.00 H new ATOM 75 N SER A 138 4.818 -1.298 5.019 1.00 0.00 N ATOM 76 CA SER A 138 3.910 -0.340 5.653 1.00 0.00 C ATOM 77 C SER A 138 2.467 -0.616 5.235 1.00 0.00 C ATOM 78 O SER A 138 2.186 -0.852 4.061 1.00 0.00 O ATOM 79 CB SER A 138 4.298 1.083 5.252 1.00 0.00 C ATOM 80 OG SER A 138 3.694 2.005 6.149 1.00 0.00 O ATOM 0 H SER A 138 4.515 -1.620 4.100 1.00 0.00 H new ATOM 0 HA SER A 138 3.989 -0.447 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.382 1.196 5.272 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.975 1.286 4.231 1.00 0.00 H new ATOM 0 HG SER A 138 3.942 2.918 5.896 1.00 0.00 H new ATOM 86 N HIS A 139 1.553 -0.585 6.206 1.00 0.00 N ATOM 87 CA HIS A 139 0.132 -0.839 5.936 1.00 0.00 C ATOM 88 C HIS A 139 -0.746 0.224 6.594 1.00 0.00 C ATOM 89 O HIS A 139 -0.319 0.919 7.515 1.00 0.00 O ATOM 90 CB HIS A 139 -0.266 -2.221 6.459 1.00 0.00 C ATOM 91 CG HIS A 139 -0.191 -2.235 7.961 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.099 -1.870 8.925 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.935 -2.666 8.644 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.547 -2.072 10.186 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.678 -2.552 9.961 1.00 0.00 N flip ATOM 0 H HIS A 139 1.767 -0.388 7.184 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.018 -0.800 4.857 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.277 -2.467 6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.396 -2.982 6.045 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.851 -3.027 8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.011 -1.881 11.143 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.339 -2.802 10.697 1.00 0.00 H new ATOM 104 N VAL A 140 -1.981 0.341 6.103 1.00 0.00 N ATOM 105 CA VAL A 140 -2.938 1.318 6.630 1.00 0.00 C ATOM 106 C VAL A 140 -4.307 0.660 6.806 1.00 0.00 C ATOM 107 O VAL A 140 -4.936 0.254 5.831 1.00 0.00 O ATOM 108 CB VAL A 140 -3.041 2.500 5.653 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.234 3.392 6.012 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.757 3.331 5.730 1.00 0.00 C ATOM 0 H VAL A 140 -2.343 -0.230 5.339 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.597 1.679 7.600 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.180 2.110 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.291 4.224 5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.153 2.809 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.108 3.779 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.825 4.171 5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.627 3.706 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.904 2.708 5.461 1.00 0.00 H new ATOM 120 N ASN A 141 -4.764 0.546 8.057 1.00 0.00 N ATOM 121 CA ASN A 141 -6.059 -0.082 8.334 1.00 0.00 C ATOM 122 C ASN A 141 -6.714 0.516 9.585 1.00 0.00 C ATOM 123 O ASN A 141 -6.118 0.526 10.661 1.00 0.00 O ATOM 124 CB ASN A 141 -5.870 -1.592 8.531 1.00 0.00 C ATOM 125 CG ASN A 141 -5.200 -1.879 9.872 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.916 -1.862 10.963 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -3.997 -2.129 9.927 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.265 0.875 8.883 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.713 0.105 7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.837 -2.094 8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.263 -1.997 7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.439 -2.142 9.073 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.557 -2.324 10.826 1.00 0.00 H new ATOM 134 N SER A 142 -7.955 0.989 9.437 1.00 0.00 N ATOM 135 CA SER A 142 -8.701 1.558 10.564 1.00 0.00 C ATOM 136 C SER A 142 -10.160 1.114 10.503 1.00 0.00 C ATOM 137 O SER A 142 -10.553 0.371 9.604 1.00 0.00 O ATOM 138 CB SER A 142 -8.620 3.090 10.559 1.00 0.00 C ATOM 139 OG SER A 142 -8.879 3.575 11.869 1.00 0.00 O ATOM 0 H SER A 142 -8.463 0.990 8.552 1.00 0.00 H new ATOM 0 HA SER A 142 -8.252 1.194 11.488 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.633 3.413 10.227 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.344 3.502 9.856 1.00 0.00 H new ATOM 0 HG SER A 142 -8.827 4.554 11.872 1.00 0.00 H new ATOM 145 N ARG A 143 -10.954 1.565 11.467 1.00 0.00 N ATOM 146 CA ARG A 143 -12.366 1.199 11.513 1.00 0.00 C ATOM 147 C ARG A 143 -13.167 1.926 10.431 1.00 0.00 C ATOM 148 O ARG A 143 -14.083 1.353 9.839 1.00 0.00 O ATOM 149 CB ARG A 143 -12.945 1.536 12.889 1.00 0.00 C ATOM 150 CG ARG A 143 -11.950 1.124 13.978 1.00 0.00 C ATOM 151 CD ARG A 143 -11.590 -0.355 13.817 1.00 0.00 C ATOM 152 NE ARG A 143 -10.980 -0.862 15.040 1.00 0.00 N ATOM 153 CZ ARG A 143 -9.751 -0.499 15.396 1.00 0.00 C ATOM 154 NH1 ARG A 143 -9.071 0.325 14.646 1.00 0.00 N ATOM 155 NH2 ARG A 143 -9.226 -0.966 16.495 1.00 0.00 N ATOM 0 H ARG A 143 -10.649 2.179 12.222 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.440 0.127 11.331 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -13.152 2.604 12.956 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.893 1.018 13.033 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -11.051 1.736 13.912 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.382 1.298 14.963 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -12.485 -0.931 13.583 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.903 -0.480 12.980 1.00 0.00 H new ATOM 0 HE ARG A 143 -11.504 -1.506 15.633 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -9.482 0.690 13.787 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -8.128 0.603 14.919 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -9.758 -1.609 17.081 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -8.283 -0.688 16.768 1.00 0.00 H new ATOM 169 N ASP A 144 -12.834 3.194 10.192 1.00 0.00 N ATOM 170 CA ASP A 144 -13.545 3.995 9.192 1.00 0.00 C ATOM 171 C ASP A 144 -12.857 3.938 7.829 1.00 0.00 C ATOM 172 O ASP A 144 -13.489 4.171 6.799 1.00 0.00 O ATOM 173 CB ASP A 144 -13.616 5.450 9.658 1.00 0.00 C ATOM 174 CG ASP A 144 -14.476 6.264 8.698 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.526 5.776 8.314 1.00 0.00 O ATOM 176 OD2 ASP A 144 -14.072 7.365 8.361 1.00 0.00 O ATOM 0 H ASP A 144 -12.082 3.687 10.673 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.548 3.581 9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.034 5.498 10.664 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.613 5.873 9.709 1.00 0.00 H new ATOM 181 N GLN A 145 -11.563 3.638 7.827 1.00 0.00 N ATOM 182 CA GLN A 145 -10.808 3.569 6.580 1.00 0.00 C ATOM 183 C GLN A 145 -11.407 2.520 5.637 1.00 0.00 C ATOM 184 O GLN A 145 -10.869 1.427 5.492 1.00 0.00 O ATOM 185 CB GLN A 145 -9.339 3.228 6.891 1.00 0.00 C ATOM 186 CG GLN A 145 -8.547 4.512 7.187 1.00 0.00 C ATOM 187 CD GLN A 145 -7.069 4.186 7.361 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.207 4.902 6.849 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.725 3.144 8.059 1.00 0.00 N ATOM 0 H GLN A 145 -11.018 3.440 8.666 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.860 4.537 6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.288 2.555 7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.893 2.704 6.046 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.677 5.225 6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.932 4.986 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.442 2.554 8.481 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.738 2.917 8.184 1.00 0.00 H new ATOM 198 N CYS A 146 -12.523 2.876 4.995 1.00 0.00 N ATOM 199 CA CYS A 146 -13.213 1.980 4.057 1.00 0.00 C ATOM 200 C CYS A 146 -13.246 2.612 2.658 1.00 0.00 C ATOM 201 O CYS A 146 -14.026 3.529 2.402 1.00 0.00 O ATOM 202 CB CYS A 146 -14.642 1.736 4.570 1.00 0.00 C ATOM 203 SG CYS A 146 -15.515 0.571 3.496 1.00 0.00 S ATOM 0 H CYS A 146 -12.972 3.785 5.108 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.683 1.030 3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.607 1.345 5.587 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.186 2.680 4.610 1.00 0.00 H new ATOM 208 N ASN A 147 -12.375 2.126 1.760 1.00 0.00 N ATOM 209 CA ASN A 147 -12.288 2.660 0.389 1.00 0.00 C ATOM 210 C ASN A 147 -12.216 1.535 -0.650 1.00 0.00 C ATOM 211 O ASN A 147 -11.980 0.376 -0.309 1.00 0.00 O ATOM 212 CB ASN A 147 -11.046 3.547 0.260 1.00 0.00 C ATOM 213 CG ASN A 147 -10.912 4.440 1.489 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.355 5.588 1.473 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.323 3.979 2.558 1.00 0.00 N ATOM 0 H ASN A 147 -11.723 1.367 1.956 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.189 3.243 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.156 2.927 0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.118 4.160 -0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.229 4.571 3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.957 3.027 2.568 1.00 0.00 H new ATOM 222 N ASP A 148 -12.426 1.893 -1.921 1.00 0.00 N ATOM 223 CA ASP A 148 -12.394 0.918 -3.013 1.00 0.00 C ATOM 224 C ASP A 148 -10.964 0.520 -3.379 1.00 0.00 C ATOM 225 O ASP A 148 -10.008 1.235 -3.081 1.00 0.00 O ATOM 226 CB ASP A 148 -13.113 1.482 -4.244 1.00 0.00 C ATOM 227 CG ASP A 148 -12.679 2.920 -4.507 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.185 3.803 -3.835 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.857 3.116 -5.383 1.00 0.00 O ATOM 0 H ASP A 148 -12.620 2.850 -2.217 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.909 0.021 -2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.893 0.865 -5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.192 1.444 -4.091 1.00 0.00 H new ATOM 234 N TYR A 149 -10.841 -0.639 -4.021 1.00 0.00 N ATOM 235 CA TYR A 149 -9.540 -1.162 -4.432 1.00 0.00 C ATOM 236 C TYR A 149 -8.697 -0.077 -5.098 1.00 0.00 C ATOM 237 O TYR A 149 -7.598 0.235 -4.641 1.00 0.00 O ATOM 238 CB TYR A 149 -9.743 -2.321 -5.413 1.00 0.00 C ATOM 239 CG TYR A 149 -8.419 -2.976 -5.730 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.935 -4.014 -4.921 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.682 -2.553 -6.843 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.711 -4.625 -5.227 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.460 -3.163 -7.147 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.975 -4.199 -6.339 1.00 0.00 C ATOM 245 OH TYR A 149 -4.770 -4.802 -6.640 1.00 0.00 O ATOM 0 H TYR A 149 -11.630 -1.236 -4.269 1.00 0.00 H new ATOM 0 HA TYR A 149 -9.014 -1.511 -3.543 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.426 -3.054 -4.984 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.204 -1.954 -6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.504 -4.342 -4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -8.057 -1.755 -7.467 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.336 -5.424 -4.605 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.891 -2.835 -8.004 1.00 0.00 H new ATOM 0 HH TYR A 149 -4.038 -4.285 -6.245 1.00 0.00 H new ATOM 255 N GLN A 150 -9.217 0.485 -6.183 1.00 0.00 N ATOM 256 CA GLN A 150 -8.500 1.528 -6.910 1.00 0.00 C ATOM 257 C GLN A 150 -8.119 2.672 -5.978 1.00 0.00 C ATOM 258 O GLN A 150 -6.971 3.114 -5.959 1.00 0.00 O ATOM 259 CB GLN A 150 -9.368 2.062 -8.051 1.00 0.00 C ATOM 260 CG GLN A 150 -8.641 3.212 -8.759 1.00 0.00 C ATOM 261 CD GLN A 150 -9.214 3.413 -10.154 1.00 0.00 C ATOM 262 OE1 GLN A 150 -10.055 4.288 -10.366 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.803 2.648 -11.122 1.00 0.00 N ATOM 0 H GLN A 150 -10.125 0.239 -6.577 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.588 1.094 -7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.584 1.264 -8.761 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.325 2.409 -7.661 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.744 4.129 -8.179 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.575 2.994 -8.823 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.107 1.925 -10.940 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.177 2.771 -12.063 1.00 0.00 H new ATOM 272 N HIS A 151 -9.090 3.149 -5.207 1.00 0.00 N ATOM 273 CA HIS A 151 -8.841 4.242 -4.277 1.00 0.00 C ATOM 274 C HIS A 151 -7.631 3.926 -3.405 1.00 0.00 C ATOM 275 O HIS A 151 -6.743 4.761 -3.237 1.00 0.00 O ATOM 276 CB HIS A 151 -10.079 4.474 -3.391 1.00 0.00 C ATOM 277 CG HIS A 151 -11.078 5.340 -4.115 1.00 0.00 C ATOM 278 ND1 HIS A 151 -11.122 5.420 -5.499 1.00 0.00 N ATOM 279 CD2 HIS A 151 -12.073 6.170 -3.660 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.111 6.271 -5.825 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.724 6.757 -4.741 1.00 0.00 N ATOM 0 H HIS A 151 -10.048 2.799 -5.207 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.638 5.148 -4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.535 3.518 -3.132 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.783 4.950 -2.456 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -12.314 6.341 -2.621 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -12.378 6.530 -6.839 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -13.502 7.416 -4.712 1.00 0.00 H new ATOM 290 N TRP A 152 -7.602 2.722 -2.844 1.00 0.00 N ATOM 291 CA TRP A 152 -6.490 2.334 -1.989 1.00 0.00 C ATOM 292 C TRP A 152 -5.178 2.381 -2.774 1.00 0.00 C ATOM 293 O TRP A 152 -4.181 2.917 -2.299 1.00 0.00 O ATOM 294 CB TRP A 152 -6.708 0.916 -1.417 1.00 0.00 C ATOM 295 CG TRP A 152 -7.485 0.962 -0.132 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.582 0.212 0.122 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.238 1.754 1.076 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.035 0.496 1.395 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.246 1.443 2.020 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.261 2.708 1.446 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.284 2.048 3.273 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.300 3.313 2.707 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.307 2.989 3.617 1.00 0.00 C ATOM 0 H TRP A 152 -8.323 2.010 -2.963 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.436 3.039 -1.160 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.241 0.305 -2.146 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.744 0.438 -1.245 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.031 -0.495 -0.561 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.852 0.060 1.822 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.479 2.971 0.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.063 1.793 3.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.545 4.036 2.978 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.332 3.464 4.586 1.00 0.00 H new ATOM 314 N LYS A 153 -5.186 1.804 -3.969 1.00 0.00 N ATOM 315 CA LYS A 153 -3.989 1.773 -4.805 1.00 0.00 C ATOM 316 C LYS A 153 -3.350 3.156 -4.883 1.00 0.00 C ATOM 317 O LYS A 153 -2.127 3.287 -4.831 1.00 0.00 O ATOM 318 CB LYS A 153 -4.369 1.267 -6.212 1.00 0.00 C ATOM 319 CG LYS A 153 -3.188 0.537 -6.883 1.00 0.00 C ATOM 320 CD LYS A 153 -3.716 -0.399 -7.981 1.00 0.00 C ATOM 321 CE LYS A 153 -4.376 0.416 -9.098 1.00 0.00 C ATOM 322 NZ LYS A 153 -4.410 -0.395 -10.348 1.00 0.00 N ATOM 0 H LYS A 153 -6.003 1.353 -4.381 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.258 1.095 -4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.222 0.593 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.679 2.108 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.496 1.262 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.632 -0.035 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.897 -0.992 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.436 -1.099 -7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.388 0.699 -8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.822 1.340 -9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.858 0.157 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.439 -0.644 -10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.957 -1.264 -10.183 1.00 0.00 H new ATOM 336 N ASP A 154 -4.179 4.183 -4.999 1.00 0.00 N ATOM 337 CA ASP A 154 -3.668 5.542 -5.074 1.00 0.00 C ATOM 338 C ASP A 154 -3.184 6.011 -3.704 1.00 0.00 C ATOM 339 O ASP A 154 -2.078 6.534 -3.577 1.00 0.00 O ATOM 340 CB ASP A 154 -4.761 6.486 -5.581 1.00 0.00 C ATOM 341 CG ASP A 154 -5.084 6.174 -7.038 1.00 0.00 C ATOM 342 OD1 ASP A 154 -5.204 5.003 -7.360 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.208 7.111 -7.810 1.00 0.00 O ATOM 0 H ASP A 154 -5.195 4.103 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.827 5.554 -5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.657 6.379 -4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.432 7.521 -5.486 1.00 0.00 H new ATOM 348 N GLU A 155 -4.016 5.818 -2.686 1.00 0.00 N ATOM 349 CA GLU A 155 -3.664 6.233 -1.328 1.00 0.00 C ATOM 350 C GLU A 155 -2.360 5.576 -0.870 1.00 0.00 C ATOM 351 O GLU A 155 -1.436 6.263 -0.435 1.00 0.00 O ATOM 352 CB GLU A 155 -4.808 5.882 -0.364 1.00 0.00 C ATOM 353 CG GLU A 155 -4.361 6.077 1.101 1.00 0.00 C ATOM 354 CD GLU A 155 -5.555 6.442 1.979 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.631 5.923 1.731 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.377 7.237 2.889 1.00 0.00 O ATOM 0 H GLU A 155 -4.933 5.380 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.512 7.312 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.673 6.511 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.119 4.849 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.896 5.163 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.608 6.863 1.156 1.00 0.00 H new ATOM 363 N ALA A 156 -2.285 4.252 -0.971 1.00 0.00 N ATOM 364 CA ALA A 156 -1.075 3.543 -0.563 1.00 0.00 C ATOM 365 C ALA A 156 0.127 4.119 -1.299 1.00 0.00 C ATOM 366 O ALA A 156 1.239 4.144 -0.773 1.00 0.00 O ATOM 367 CB ALA A 156 -1.201 2.046 -0.871 1.00 0.00 C ATOM 0 H ALA A 156 -3.033 3.656 -1.325 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.940 3.668 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.291 1.533 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.053 1.634 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.349 1.906 -1.942 1.00 0.00 H new ATOM 373 N GLY A 157 -0.114 4.594 -2.517 1.00 0.00 N ATOM 374 CA GLY A 157 0.950 5.183 -3.318 1.00 0.00 C ATOM 375 C GLY A 157 1.443 6.482 -2.686 1.00 0.00 C ATOM 376 O GLY A 157 2.648 6.691 -2.537 1.00 0.00 O ATOM 0 H GLY A 157 -1.029 4.582 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.777 4.479 -3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.587 5.378 -4.327 1.00 0.00 H new ATOM 380 N LYS A 158 0.507 7.355 -2.317 1.00 0.00 N ATOM 381 CA LYS A 158 0.866 8.629 -1.703 1.00 0.00 C ATOM 382 C LYS A 158 1.510 8.411 -0.339 1.00 0.00 C ATOM 383 O LYS A 158 2.432 9.132 0.040 1.00 0.00 O ATOM 384 CB LYS A 158 -0.374 9.517 -1.535 1.00 0.00 C ATOM 385 CG LYS A 158 -1.187 9.552 -2.842 1.00 0.00 C ATOM 386 CD LYS A 158 -1.983 10.860 -2.929 1.00 0.00 C ATOM 387 CE LYS A 158 -2.976 10.931 -1.768 1.00 0.00 C ATOM 388 NZ LYS A 158 -3.942 12.040 -2.009 1.00 0.00 N ATOM 0 H LYS A 158 -0.495 7.205 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 158 1.580 9.123 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -0.994 9.137 -0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.072 10.527 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.518 9.466 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.866 8.700 -2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.306 11.713 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.514 10.912 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.508 9.985 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.445 11.094 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.618 12.089 -1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.426 12.940 -2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.457 11.865 -2.896 1.00 0.00 H new ATOM 402 N GLN A 159 1.015 7.424 0.402 1.00 0.00 N ATOM 403 CA GLN A 159 1.556 7.141 1.729 1.00 0.00 C ATOM 404 C GLN A 159 3.052 6.836 1.642 1.00 0.00 C ATOM 405 O GLN A 159 3.837 7.279 2.480 1.00 0.00 O ATOM 406 CB GLN A 159 0.804 5.954 2.372 1.00 0.00 C ATOM 407 CG GLN A 159 0.680 6.164 3.891 1.00 0.00 C ATOM 408 CD GLN A 159 -0.453 7.139 4.196 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.218 8.208 4.761 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.674 6.832 3.853 1.00 0.00 N ATOM 0 H GLN A 159 0.251 6.814 0.112 1.00 0.00 H new ATOM 0 HA GLN A 159 1.418 8.023 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.187 5.859 1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.335 5.024 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.491 5.210 4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.618 6.549 4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.865 5.946 3.385 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.438 7.478 4.053 1.00 0.00 H new ATOM 419 N CYS A 160 3.436 6.069 0.628 1.00 0.00 N ATOM 420 CA CYS A 160 4.835 5.708 0.446 1.00 0.00 C ATOM 421 C CYS A 160 5.632 6.875 -0.129 1.00 0.00 C ATOM 422 O CYS A 160 6.753 7.149 0.303 1.00 0.00 O ATOM 423 CB CYS A 160 4.931 4.514 -0.499 1.00 0.00 C ATOM 424 SG CYS A 160 6.575 3.772 -0.373 1.00 0.00 S ATOM 0 H CYS A 160 2.803 5.688 -0.075 1.00 0.00 H new ATOM 0 HA CYS A 160 5.254 5.451 1.419 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.168 3.777 -0.249 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.742 4.833 -1.524 1.00 0.00 H new ATOM 429 N LYS A 161 5.051 7.553 -1.112 1.00 0.00 N ATOM 430 CA LYS A 161 5.719 8.682 -1.751 1.00 0.00 C ATOM 431 C LYS A 161 5.979 9.803 -0.750 1.00 0.00 C ATOM 432 O LYS A 161 7.101 10.297 -0.637 1.00 0.00 O ATOM 433 CB LYS A 161 4.857 9.213 -2.903 1.00 0.00 C ATOM 434 CG LYS A 161 4.749 8.158 -4.019 1.00 0.00 C ATOM 435 CD LYS A 161 5.961 8.245 -4.958 1.00 0.00 C ATOM 436 CE LYS A 161 5.749 7.307 -6.147 1.00 0.00 C ATOM 437 NZ LYS A 161 5.635 5.903 -5.660 1.00 0.00 N ATOM 0 H LYS A 161 4.124 7.343 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 161 6.677 8.335 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.863 9.467 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.293 10.129 -3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 161 4.691 7.161 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 161 3.830 8.311 -4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 161 6.092 9.269 -5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 161 6.870 7.972 -4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 161 4.847 7.589 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 161 6.581 7.394 -6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 6.054 5.258 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 6.139 5.807 -4.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 4.632 5.663 -5.524 1.00 0.00 H new ATOM 451 N THR A 162 4.938 10.207 -0.029 1.00 0.00 N ATOM 452 CA THR A 162 5.079 11.277 0.952 1.00 0.00 C ATOM 453 C THR A 162 6.056 10.872 2.052 1.00 0.00 C ATOM 454 O THR A 162 6.729 11.719 2.638 1.00 0.00 O ATOM 455 CB THR A 162 3.711 11.622 1.561 1.00 0.00 C ATOM 456 OG1 THR A 162 3.808 12.853 2.264 1.00 0.00 O ATOM 457 CG2 THR A 162 3.267 10.518 2.524 1.00 0.00 C ATOM 0 H THR A 162 3.999 9.816 -0.104 1.00 0.00 H new ATOM 0 HA THR A 162 5.473 12.158 0.446 1.00 0.00 H new ATOM 0 HB THR A 162 2.976 11.709 0.761 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.937 13.077 2.653 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.296 10.774 2.949 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.189 9.574 1.984 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.999 10.418 3.326 1.00 0.00 H new ATOM 465 N LYS A 163 6.132 9.573 2.324 1.00 0.00 N ATOM 466 CA LYS A 163 7.036 9.072 3.352 1.00 0.00 C ATOM 467 C LYS A 163 8.471 9.060 2.833 1.00 0.00 C ATOM 468 O LYS A 163 8.708 8.969 1.630 1.00 0.00 O ATOM 469 CB LYS A 163 6.622 7.655 3.772 1.00 0.00 C ATOM 470 CG LYS A 163 5.440 7.728 4.755 1.00 0.00 C ATOM 471 CD LYS A 163 5.918 8.213 6.158 1.00 0.00 C ATOM 472 CE LYS A 163 5.191 9.505 6.556 1.00 0.00 C ATOM 473 NZ LYS A 163 3.734 9.232 6.707 1.00 0.00 N ATOM 0 H LYS A 163 5.584 8.854 1.851 1.00 0.00 H new ATOM 0 HA LYS A 163 6.979 9.731 4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.342 7.073 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.464 7.143 4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.681 8.408 4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.973 6.747 4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.729 7.438 6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.994 8.384 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.598 9.890 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 163 5.351 10.272 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 3.306 9.960 7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 3.279 9.249 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 3.599 8.296 7.140 1.00 0.00 H new ATOM 487 N LYS A 164 9.426 9.160 3.756 1.00 0.00 N ATOM 488 CA LYS A 164 10.844 9.166 3.393 1.00 0.00 C ATOM 489 C LYS A 164 11.663 8.407 4.433 1.00 0.00 C ATOM 490 O LYS A 164 11.188 8.135 5.535 1.00 0.00 O ATOM 491 CB LYS A 164 11.351 10.611 3.302 1.00 0.00 C ATOM 492 CG LYS A 164 10.895 11.418 4.541 1.00 0.00 C ATOM 493 CD LYS A 164 9.533 12.103 4.277 1.00 0.00 C ATOM 494 CE LYS A 164 9.745 13.505 3.684 1.00 0.00 C ATOM 495 NZ LYS A 164 10.388 13.393 2.344 1.00 0.00 N ATOM 0 H LYS A 164 9.246 9.238 4.757 1.00 0.00 H new ATOM 0 HA LYS A 164 10.957 8.676 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.439 10.619 3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.972 11.080 2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.813 10.756 5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.644 12.170 4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 164 8.941 11.497 3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.969 12.176 5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 164 8.789 14.022 3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 164 10.370 14.101 4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 10.361 14.317 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 11.377 13.091 2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 9.876 12.693 1.771 1.00 0.00 H new ATOM 509 N SER A 165 12.898 8.074 4.073 1.00 0.00 N ATOM 510 CA SER A 165 13.780 7.350 4.981 1.00 0.00 C ATOM 511 C SER A 165 14.399 8.306 5.997 1.00 0.00 C ATOM 512 O SER A 165 14.190 9.517 5.929 1.00 0.00 O ATOM 513 CB SER A 165 14.890 6.656 4.190 1.00 0.00 C ATOM 514 OG SER A 165 15.964 6.341 5.065 1.00 0.00 O ATOM 0 H SER A 165 13.309 8.292 3.165 1.00 0.00 H new ATOM 0 HA SER A 165 13.191 6.602 5.511 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.507 5.748 3.724 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.239 7.304 3.386 1.00 0.00 H new ATOM 0 HG SER A 165 15.771 5.501 5.531 1.00 0.00 H new ATOM 520 N LYS A 166 15.160 7.755 6.936 1.00 0.00 N ATOM 521 CA LYS A 166 15.803 8.573 7.959 1.00 0.00 C ATOM 522 C LYS A 166 16.628 9.683 7.315 1.00 0.00 C ATOM 523 O LYS A 166 16.767 10.771 7.875 1.00 0.00 O ATOM 524 CB LYS A 166 16.707 7.700 8.833 1.00 0.00 C ATOM 525 CG LYS A 166 15.877 6.605 9.526 1.00 0.00 C ATOM 526 CD LYS A 166 15.209 7.159 10.790 1.00 0.00 C ATOM 527 CE LYS A 166 14.562 6.010 11.568 1.00 0.00 C ATOM 528 NZ LYS A 166 15.614 5.260 12.312 1.00 0.00 N ATOM 0 H LYS A 166 15.346 6.755 7.011 1.00 0.00 H new ATOM 0 HA LYS A 166 15.028 9.025 8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 166 17.486 7.244 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.207 8.316 9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 166 15.117 6.228 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 166 16.519 5.763 9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.947 7.665 11.413 1.00 0.00 H new ATOM 0 HD3 LYS A 166 14.456 7.901 10.522 1.00 0.00 H new ATOM 0 HE2 LYS A 166 13.818 6.400 12.263 1.00 0.00 H new ATOM 0 HE3 LYS A 166 14.039 5.342 10.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 15.165 4.628 13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 16.177 4.696 11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 16.235 5.932 12.807 1.00 0.00 H new ATOM 542 N GLY A 167 17.174 9.400 6.136 1.00 0.00 N ATOM 543 CA GLY A 167 17.989 10.380 5.417 1.00 0.00 C ATOM 544 C GLY A 167 17.129 11.218 4.476 1.00 0.00 C ATOM 545 O GLY A 167 17.600 11.679 3.437 1.00 0.00 O ATOM 0 H GLY A 167 17.069 8.505 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.495 11.031 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.764 9.867 4.848 1.00 0.00 H new ATOM 549 N ASN A 168 15.867 11.412 4.847 1.00 0.00 N ATOM 550 CA ASN A 168 14.952 12.197 4.025 1.00 0.00 C ATOM 551 C ASN A 168 15.052 11.774 2.563 1.00 0.00 C ATOM 552 O ASN A 168 15.093 12.615 1.666 1.00 0.00 O ATOM 553 CB ASN A 168 15.283 13.685 4.152 1.00 0.00 C ATOM 554 CG ASN A 168 15.171 14.121 5.609 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.131 14.641 6.178 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.048 13.939 6.251 1.00 0.00 N ATOM 0 H ASN A 168 15.457 11.040 5.704 1.00 0.00 H new ATOM 0 HA ASN A 168 13.935 12.021 4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.291 13.875 3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.602 14.271 3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 168 13.965 14.228 7.226 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.254 13.508 5.778 1.00 0.00 H new ATOM 563 N LYS A 169 15.091 10.463 2.333 1.00 0.00 N ATOM 564 CA LYS A 169 15.188 9.925 0.976 1.00 0.00 C ATOM 565 C LYS A 169 13.788 9.662 0.412 1.00 0.00 C ATOM 566 O LYS A 169 12.788 10.092 0.986 1.00 0.00 O ATOM 567 CB LYS A 169 16.020 8.619 1.002 1.00 0.00 C ATOM 568 CG LYS A 169 17.002 8.575 -0.181 1.00 0.00 C ATOM 569 CD LYS A 169 17.499 7.142 -0.387 1.00 0.00 C ATOM 570 CE LYS A 169 18.441 7.095 -1.592 1.00 0.00 C ATOM 571 NZ LYS A 169 17.655 7.268 -2.845 1.00 0.00 N ATOM 0 H LYS A 169 15.057 9.755 3.066 1.00 0.00 H new ATOM 0 HA LYS A 169 15.684 10.650 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.570 8.551 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.354 7.757 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.512 8.934 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.845 9.239 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 169 18.017 6.794 0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 169 16.654 6.472 -0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 169 19.192 7.880 -1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 169 18.974 6.145 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 18.230 6.971 -3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 16.794 6.686 -2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 17.391 8.268 -2.954 1.00 0.00 H new ATOM 585 N ASP A 170 13.725 8.949 -0.714 1.00 0.00 N ATOM 586 CA ASP A 170 12.448 8.626 -1.356 1.00 0.00 C ATOM 587 C ASP A 170 12.292 7.113 -1.483 1.00 0.00 C ATOM 588 O ASP A 170 13.278 6.377 -1.476 1.00 0.00 O ATOM 589 CB ASP A 170 12.389 9.261 -2.746 1.00 0.00 C ATOM 590 CG ASP A 170 10.991 9.106 -3.333 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.133 9.902 -2.990 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.796 8.190 -4.117 1.00 0.00 O ATOM 0 H ASP A 170 14.543 8.584 -1.201 1.00 0.00 H new ATOM 0 HA ASP A 170 11.638 9.020 -0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.651 10.317 -2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 170 13.121 8.790 -3.401 1.00 0.00 H new ATOM 597 N MET A 171 11.046 6.654 -1.595 1.00 0.00 N ATOM 598 CA MET A 171 10.772 5.222 -1.721 1.00 0.00 C ATOM 599 C MET A 171 9.523 4.982 -2.563 1.00 0.00 C ATOM 600 O MET A 171 8.511 5.663 -2.401 1.00 0.00 O ATOM 601 CB MET A 171 10.567 4.606 -0.333 1.00 0.00 C ATOM 602 CG MET A 171 11.784 4.900 0.548 1.00 0.00 C ATOM 603 SD MET A 171 11.685 3.913 2.067 1.00 0.00 S ATOM 604 CE MET A 171 11.900 2.277 1.318 1.00 0.00 C ATOM 0 H MET A 171 10.216 7.247 -1.601 1.00 0.00 H new ATOM 0 HA MET A 171 11.626 4.754 -2.212 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.667 5.013 0.127 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.421 3.529 -0.420 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.702 4.666 0.009 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.821 5.961 0.793 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.188 1.560 2.087 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.963 1.961 0.859 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.679 2.325 0.557 1.00 0.00 H new ATOM 614 N ILE A 172 9.600 3.995 -3.453 1.00 0.00 N ATOM 615 CA ILE A 172 8.469 3.649 -4.311 1.00 0.00 C ATOM 616 C ILE A 172 7.623 2.581 -3.634 1.00 0.00 C ATOM 617 O ILE A 172 7.856 2.247 -2.476 1.00 0.00 O ATOM 618 CB ILE A 172 8.971 3.134 -5.670 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.778 1.835 -5.497 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.868 4.194 -6.311 1.00 0.00 C ATOM 621 CD1 ILE A 172 10.086 1.240 -6.873 1.00 0.00 C ATOM 0 H ILE A 172 10.431 3.422 -3.599 1.00 0.00 H new ATOM 0 HA ILE A 172 7.863 4.540 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 172 8.108 2.932 -6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.705 2.039 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.214 1.120 -4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.226 3.833 -7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.299 5.112 -6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.719 4.393 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.658 0.320 -6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 172 9.153 1.022 -7.392 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.667 1.954 -7.456 1.00 0.00 H new ATOM 633 N VAL A 173 6.655 2.031 -4.367 1.00 0.00 N ATOM 634 CA VAL A 173 5.793 0.971 -3.834 1.00 0.00 C ATOM 635 C VAL A 173 6.057 -0.327 -4.592 1.00 0.00 C ATOM 636 O VAL A 173 5.693 -0.467 -5.761 1.00 0.00 O ATOM 637 CB VAL A 173 4.316 1.375 -3.952 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.420 0.173 -3.637 1.00 0.00 C ATOM 639 CG2 VAL A 173 4.014 2.508 -2.958 1.00 0.00 C ATOM 0 H VAL A 173 6.447 2.299 -5.329 1.00 0.00 H new ATOM 0 HA VAL A 173 6.019 0.819 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 173 4.119 1.715 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.374 0.467 -3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.630 -0.632 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.618 -0.172 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.966 2.795 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.217 2.166 -1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.645 3.368 -3.184 1.00 0.00 H new ATOM 649 N ARG A 174 6.709 -1.262 -3.914 1.00 0.00 N ATOM 650 CA ARG A 174 7.053 -2.548 -4.511 1.00 0.00 C ATOM 651 C ARG A 174 5.798 -3.398 -4.724 1.00 0.00 C ATOM 652 O ARG A 174 5.491 -3.789 -5.850 1.00 0.00 O ATOM 653 CB ARG A 174 8.082 -3.264 -3.596 1.00 0.00 C ATOM 654 CG ARG A 174 7.851 -4.787 -3.547 1.00 0.00 C ATOM 655 CD ARG A 174 9.085 -5.472 -2.957 1.00 0.00 C ATOM 656 NE ARG A 174 8.793 -6.871 -2.662 1.00 0.00 N ATOM 657 CZ ARG A 174 9.696 -7.652 -2.078 1.00 0.00 C ATOM 658 NH1 ARG A 174 10.866 -7.172 -1.757 1.00 0.00 N ATOM 659 NH2 ARG A 174 9.411 -8.900 -1.824 1.00 0.00 N ATOM 0 H ARG A 174 7.012 -1.154 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 174 7.501 -2.394 -5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.090 -3.062 -3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.017 -2.855 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 174 6.973 -5.013 -2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.655 -5.168 -4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.916 -5.407 -3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.395 -4.958 -2.047 1.00 0.00 H new ATOM 0 HE ARG A 174 7.881 -7.256 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.089 -6.196 -1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 174 11.558 -7.772 -1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 174 8.496 -9.275 -2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 174 10.103 -9.500 -1.376 1.00 0.00 H new ATOM 673 N SER A 175 5.089 -3.696 -3.635 1.00 0.00 N ATOM 674 CA SER A 175 3.876 -4.522 -3.712 1.00 0.00 C ATOM 675 C SER A 175 2.672 -3.767 -3.162 1.00 0.00 C ATOM 676 O SER A 175 2.816 -2.723 -2.527 1.00 0.00 O ATOM 677 CB SER A 175 4.092 -5.820 -2.929 1.00 0.00 C ATOM 678 OG SER A 175 4.804 -6.743 -3.744 1.00 0.00 O ATOM 0 H SER A 175 5.328 -3.382 -2.694 1.00 0.00 H new ATOM 0 HA SER A 175 3.677 -4.759 -4.757 1.00 0.00 H new ATOM 0 HB2 SER A 175 4.649 -5.619 -2.014 1.00 0.00 H new ATOM 0 HB3 SER A 175 3.133 -6.244 -2.631 1.00 0.00 H new ATOM 0 HG SER A 175 4.947 -7.576 -3.247 1.00 0.00 H new ATOM 684 N PHE A 176 1.479 -4.300 -3.418 1.00 0.00 N ATOM 685 CA PHE A 176 0.257 -3.661 -2.950 1.00 0.00 C ATOM 686 C PHE A 176 -0.934 -4.621 -3.055 1.00 0.00 C ATOM 687 O PHE A 176 -1.140 -5.269 -4.080 1.00 0.00 O ATOM 688 CB PHE A 176 0.019 -2.376 -3.770 1.00 0.00 C ATOM 689 CG PHE A 176 -1.448 -1.993 -3.781 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.975 -1.219 -2.747 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.278 -2.416 -4.825 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.321 -0.871 -2.747 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.632 -2.063 -4.827 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.154 -1.289 -3.784 1.00 0.00 C ATOM 0 H PHE A 176 1.336 -5.164 -3.941 1.00 0.00 H new ATOM 0 HA PHE A 176 0.362 -3.396 -1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.607 -1.560 -3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.366 -2.525 -4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.334 -0.889 -1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.874 -3.014 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.723 -0.275 -1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.274 -2.387 -5.633 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.199 -1.016 -3.783 1.00 0.00 H new ATOM 704 N ALA A 177 -1.708 -4.693 -1.975 1.00 0.00 N ATOM 705 CA ALA A 177 -2.885 -5.563 -1.923 1.00 0.00 C ATOM 706 C ALA A 177 -3.766 -5.163 -0.746 1.00 0.00 C ATOM 707 O ALA A 177 -3.255 -4.811 0.309 1.00 0.00 O ATOM 708 CB ALA A 177 -2.449 -7.022 -1.762 1.00 0.00 C ATOM 0 H ALA A 177 -1.543 -4.159 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.447 -5.457 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.330 -7.663 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.826 -7.311 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.880 -7.132 -0.839 1.00 0.00 H new ATOM 714 N VAL A 178 -5.087 -5.213 -0.920 1.00 0.00 N ATOM 715 CA VAL A 178 -5.991 -4.826 0.162 1.00 0.00 C ATOM 716 C VAL A 178 -5.923 -5.826 1.313 1.00 0.00 C ATOM 717 O VAL A 178 -5.390 -6.925 1.160 1.00 0.00 O ATOM 718 CB VAL A 178 -7.434 -4.698 -0.345 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.535 -3.502 -1.298 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.856 -5.980 -1.076 1.00 0.00 C ATOM 0 H VAL A 178 -5.547 -5.511 -1.780 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.668 -3.852 0.530 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.098 -4.545 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.559 -3.410 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.253 -2.591 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.864 -3.653 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.881 -5.876 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.194 -6.149 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.793 -6.826 -0.392 1.00 0.00 H new ATOM 730 N LEU A 179 -6.435 -5.422 2.483 1.00 0.00 N ATOM 731 CA LEU A 179 -6.395 -6.275 3.676 1.00 0.00 C ATOM 732 C LEU A 179 -7.787 -6.742 4.103 1.00 0.00 C ATOM 733 O LEU A 179 -8.318 -7.720 3.575 1.00 0.00 O ATOM 734 CB LEU A 179 -5.762 -5.500 4.847 1.00 0.00 C ATOM 735 CG LEU A 179 -4.236 -5.385 4.678 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.649 -4.483 5.804 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.589 -6.800 4.714 1.00 0.00 C ATOM 0 H LEU A 179 -6.879 -4.515 2.628 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.802 -7.153 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.200 -4.504 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -5.990 -6.005 5.786 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.012 -4.929 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.569 -4.404 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.095 -3.490 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.872 -4.923 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.509 -6.710 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.809 -7.277 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -3.995 -7.406 3.904 1.00 0.00 H new ATOM 749 N GLU A 180 -8.346 -6.055 5.096 1.00 0.00 N ATOM 750 CA GLU A 180 -9.650 -6.421 5.640 1.00 0.00 C ATOM 751 C GLU A 180 -10.785 -6.076 4.670 1.00 0.00 C ATOM 752 O GLU A 180 -10.708 -5.079 3.952 1.00 0.00 O ATOM 753 CB GLU A 180 -9.876 -5.688 6.963 1.00 0.00 C ATOM 754 CG GLU A 180 -8.954 -6.271 8.037 1.00 0.00 C ATOM 755 CD GLU A 180 -8.943 -5.364 9.263 1.00 0.00 C ATOM 756 OE1 GLU A 180 -10.002 -4.884 9.630 1.00 0.00 O ATOM 757 OE2 GLU A 180 -7.875 -5.162 9.816 1.00 0.00 O ATOM 0 H GLU A 180 -7.917 -5.243 5.540 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.656 -7.499 5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.679 -4.623 6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.917 -5.785 7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.292 -7.269 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.943 -6.376 7.643 1.00 0.00 H new ATOM 764 N PRO A 181 -11.841 -6.867 4.638 1.00 0.00 N ATOM 765 CA PRO A 181 -13.006 -6.614 3.740 1.00 0.00 C ATOM 766 C PRO A 181 -13.961 -5.549 4.292 1.00 0.00 C ATOM 767 O PRO A 181 -14.163 -5.434 5.501 1.00 0.00 O ATOM 768 CB PRO A 181 -13.696 -7.978 3.688 1.00 0.00 C ATOM 769 CG PRO A 181 -13.458 -8.549 5.044 1.00 0.00 C ATOM 770 CD PRO A 181 -12.048 -8.096 5.438 1.00 0.00 C ATOM 0 HA PRO A 181 -12.698 -6.230 2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.761 -7.880 3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.273 -8.611 2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.199 -8.189 5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.531 -9.636 5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -11.975 -7.896 6.507 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.303 -8.856 5.205 1.00 0.00 H new ATOM 778 N CYS A 182 -14.549 -4.792 3.374 1.00 0.00 N ATOM 779 CA CYS A 182 -15.508 -3.732 3.700 1.00 0.00 C ATOM 780 C CYS A 182 -16.707 -3.869 2.762 1.00 0.00 C ATOM 781 O CYS A 182 -16.836 -4.881 2.077 1.00 0.00 O ATOM 782 CB CYS A 182 -14.856 -2.354 3.548 1.00 0.00 C ATOM 783 SG CYS A 182 -15.675 -1.126 4.593 1.00 0.00 S ATOM 0 H CYS A 182 -14.376 -4.893 2.374 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.835 -3.828 4.735 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.801 -2.416 3.814 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.904 -2.039 2.506 1.00 0.00 H new ATOM 788 N ALA A 183 -17.589 -2.870 2.757 1.00 0.00 N ATOM 789 CA ALA A 183 -18.786 -2.902 1.907 1.00 0.00 C ATOM 790 C ALA A 183 -18.514 -3.597 0.564 1.00 0.00 C ATOM 791 O ALA A 183 -17.364 -3.754 0.157 1.00 0.00 O ATOM 792 CB ALA A 183 -19.271 -1.475 1.646 1.00 0.00 C ATOM 0 H ALA A 183 -17.501 -2.030 3.329 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.551 -3.471 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.159 -1.502 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.514 -0.994 2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.486 -0.910 1.143 1.00 0.00 H new ATOM 798 N LEU A 184 -19.601 -4.019 -0.093 1.00 0.00 N ATOM 799 CA LEU A 184 -19.548 -4.733 -1.383 1.00 0.00 C ATOM 800 C LEU A 184 -18.186 -4.621 -2.082 1.00 0.00 C ATOM 801 O LEU A 184 -17.475 -5.615 -2.222 1.00 0.00 O ATOM 802 CB LEU A 184 -20.652 -4.183 -2.304 1.00 0.00 C ATOM 803 CG LEU A 184 -21.119 -5.249 -3.321 1.00 0.00 C ATOM 804 CD1 LEU A 184 -19.917 -5.792 -4.102 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.846 -6.408 -2.602 1.00 0.00 C ATOM 0 H LEU A 184 -20.549 -3.876 0.254 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.703 -5.792 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.500 -3.855 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.281 -3.307 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.816 -4.780 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -20.256 -6.542 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -19.432 -4.976 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -19.207 -6.245 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -22.167 -7.147 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -21.168 -6.876 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -22.717 -6.019 -2.074 1.00 0.00 H new ATOM 817 N ASP A 185 -17.828 -3.416 -2.527 1.00 0.00 N ATOM 818 CA ASP A 185 -16.549 -3.197 -3.220 1.00 0.00 C ATOM 819 C ASP A 185 -15.692 -2.201 -2.454 1.00 0.00 C ATOM 820 O ASP A 185 -15.464 -1.083 -2.914 1.00 0.00 O ATOM 821 CB ASP A 185 -16.810 -2.664 -4.630 1.00 0.00 C ATOM 822 CG ASP A 185 -17.513 -1.312 -4.554 1.00 0.00 C ATOM 823 OD1 ASP A 185 -18.687 -1.296 -4.222 1.00 0.00 O ATOM 824 OD2 ASP A 185 -16.866 -0.314 -4.827 1.00 0.00 O ATOM 0 H ASP A 185 -18.400 -2.578 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 185 -16.019 -4.148 -3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -15.869 -2.564 -5.170 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.424 -3.372 -5.188 1.00 0.00 H new ATOM 829 N MET A 186 -15.227 -2.611 -1.277 1.00 0.00 N ATOM 830 CA MET A 186 -14.406 -1.742 -0.441 1.00 0.00 C ATOM 831 C MET A 186 -13.583 -2.558 0.555 1.00 0.00 C ATOM 832 O MET A 186 -13.880 -3.725 0.810 1.00 0.00 O ATOM 833 CB MET A 186 -15.301 -0.743 0.307 1.00 0.00 C ATOM 834 CG MET A 186 -15.850 0.319 -0.652 1.00 0.00 C ATOM 835 SD MET A 186 -16.389 1.759 0.303 1.00 0.00 S ATOM 836 CE MET A 186 -16.011 3.021 -0.940 1.00 0.00 C ATOM 0 H MET A 186 -15.404 -3.535 -0.883 1.00 0.00 H new ATOM 0 HA MET A 186 -13.716 -1.197 -1.085 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.127 -1.272 0.782 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.731 -0.262 1.102 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.083 0.610 -1.370 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.685 -0.086 -1.224 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.154 4.011 -0.508 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.976 2.913 -1.265 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.675 2.899 -1.796 1.00 0.00 H new ATOM 846 N PHE A 187 -12.543 -1.930 1.118 1.00 0.00 N ATOM 847 CA PHE A 187 -11.671 -2.595 2.097 1.00 0.00 C ATOM 848 C PHE A 187 -11.413 -1.689 3.305 1.00 0.00 C ATOM 849 O PHE A 187 -11.118 -0.503 3.153 1.00 0.00 O ATOM 850 CB PHE A 187 -10.355 -2.962 1.420 1.00 0.00 C ATOM 851 CG PHE A 187 -10.672 -3.893 0.281 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.775 -5.268 0.512 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.897 -3.379 -1.000 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.097 -6.132 -0.537 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.224 -4.239 -2.051 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.322 -5.619 -1.821 1.00 0.00 C ATOM 0 H PHE A 187 -12.285 -0.965 0.914 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.164 -3.498 2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.850 -2.068 1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.680 -3.441 2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.605 -5.663 1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.818 -2.317 -1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.172 -7.194 -0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.401 -3.842 -3.040 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.571 -6.286 -2.633 1.00 0.00 H new ATOM 866 N THR A 188 -11.556 -2.256 4.505 1.00 0.00 N ATOM 867 CA THR A 188 -11.365 -1.490 5.739 1.00 0.00 C ATOM 868 C THR A 188 -9.902 -1.081 5.913 1.00 0.00 C ATOM 869 O THR A 188 -9.592 -0.180 6.692 1.00 0.00 O ATOM 870 CB THR A 188 -11.822 -2.300 6.980 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.686 -2.733 7.717 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.639 -3.525 6.562 1.00 0.00 C ATOM 0 H THR A 188 -11.802 -3.236 4.649 1.00 0.00 H new ATOM 0 HA THR A 188 -11.978 -0.593 5.656 1.00 0.00 H new ATOM 0 HB THR A 188 -12.445 -1.652 7.597 1.00 0.00 H new ATOM 0 HG1 THR A 188 -10.926 -3.512 8.261 1.00 0.00 H new ATOM 0 HG21 THR A 188 -12.948 -4.077 7.450 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.522 -3.202 6.010 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.030 -4.169 5.928 1.00 0.00 H new ATOM 880 N GLY A 189 -9.008 -1.754 5.200 1.00 0.00 N ATOM 881 CA GLY A 189 -7.586 -1.453 5.305 1.00 0.00 C ATOM 882 C GLY A 189 -6.814 -2.045 4.138 1.00 0.00 C ATOM 883 O GLY A 189 -7.317 -2.920 3.432 1.00 0.00 O ATOM 0 H GLY A 189 -9.239 -2.505 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.441 -0.373 5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.195 -1.850 6.242 1.00 0.00 H new ATOM 887 N VAL A 190 -5.588 -1.563 3.932 1.00 0.00 N ATOM 888 CA VAL A 190 -4.761 -2.059 2.831 1.00 0.00 C ATOM 889 C VAL A 190 -3.287 -2.149 3.223 1.00 0.00 C ATOM 890 O VAL A 190 -2.773 -1.307 3.959 1.00 0.00 O ATOM 891 CB VAL A 190 -4.922 -1.140 1.606 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.477 0.284 1.964 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.085 -1.664 0.409 1.00 0.00 C ATOM 0 H VAL A 190 -5.150 -0.840 4.503 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.100 -3.066 2.586 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.973 -1.133 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.593 0.931 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.091 0.662 2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.431 0.272 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.215 -0.999 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.032 -1.696 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.420 -2.666 0.142 1.00 0.00 H new ATOM 903 N GLU A 191 -2.613 -3.180 2.709 1.00 0.00 N ATOM 904 CA GLU A 191 -1.190 -3.391 2.980 1.00 0.00 C ATOM 905 C GLU A 191 -0.375 -3.160 1.712 1.00 0.00 C ATOM 906 O GLU A 191 -0.792 -3.541 0.618 1.00 0.00 O ATOM 907 CB GLU A 191 -0.962 -4.815 3.509 1.00 0.00 C ATOM 908 CG GLU A 191 -1.220 -5.869 2.422 1.00 0.00 C ATOM 909 CD GLU A 191 -0.910 -7.258 2.971 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.028 -7.359 3.808 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.559 -8.200 2.547 1.00 0.00 O ATOM 0 H GLU A 191 -3.032 -3.884 2.101 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.864 -2.679 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.061 -4.909 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.620 -4.998 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.258 -5.820 2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.600 -5.665 1.549 1.00 0.00 H new ATOM 918 N PHE A 192 0.792 -2.541 1.861 1.00 0.00 N ATOM 919 CA PHE A 192 1.658 -2.276 0.714 1.00 0.00 C ATOM 920 C PHE A 192 3.113 -2.179 1.147 1.00 0.00 C ATOM 921 O PHE A 192 3.417 -1.710 2.243 1.00 0.00 O ATOM 922 CB PHE A 192 1.240 -0.986 0.003 1.00 0.00 C ATOM 923 CG PHE A 192 1.144 0.161 0.984 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.088 0.212 1.903 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.101 1.184 0.961 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.008 1.282 2.799 1.00 0.00 C ATOM 927 CE2 PHE A 192 2.002 2.255 1.856 1.00 0.00 C ATOM 928 CZ PHE A 192 0.948 2.303 2.776 1.00 0.00 C ATOM 0 H PHE A 192 1.159 -2.216 2.755 1.00 0.00 H new ATOM 0 HA PHE A 192 1.554 -3.109 0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.963 -0.744 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.278 -1.132 -0.488 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.652 -0.575 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.915 1.146 0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.821 1.320 3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.739 3.045 1.837 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.873 3.129 3.468 1.00 0.00 H new ATOM 938 N VAL A 193 4.010 -2.633 0.276 1.00 0.00 N ATOM 939 CA VAL A 193 5.447 -2.601 0.573 1.00 0.00 C ATOM 940 C VAL A 193 6.118 -1.435 -0.133 1.00 0.00 C ATOM 941 O VAL A 193 5.666 -0.992 -1.191 1.00 0.00 O ATOM 942 CB VAL A 193 6.115 -3.901 0.117 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.616 -3.832 0.411 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.498 -5.086 0.869 1.00 0.00 C ATOM 0 H VAL A 193 3.774 -3.025 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 193 5.560 -2.485 1.651 1.00 0.00 H new ATOM 0 HB VAL A 193 5.960 -4.033 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.093 -4.757 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.054 -2.990 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.771 -3.699 1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.974 -6.011 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.651 -4.956 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.430 -5.134 0.658 1.00 0.00 H new ATOM 954 N CYS A 194 7.207 -0.947 0.456 1.00 0.00 N ATOM 955 CA CYS A 194 7.961 0.168 -0.119 1.00 0.00 C ATOM 956 C CYS A 194 9.408 -0.242 -0.363 1.00 0.00 C ATOM 957 O CYS A 194 9.932 -1.118 0.320 1.00 0.00 O ATOM 958 CB CYS A 194 7.930 1.365 0.834 1.00 0.00 C ATOM 959 SG CYS A 194 6.296 2.139 0.781 1.00 0.00 S ATOM 0 H CYS A 194 7.589 -1.305 1.332 1.00 0.00 H new ATOM 0 HA CYS A 194 7.501 0.444 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.157 1.040 1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.695 2.088 0.552 1.00 0.00 H new ATOM 964 N CYS A 195 10.054 0.397 -1.341 1.00 0.00 N ATOM 965 CA CYS A 195 11.451 0.082 -1.662 1.00 0.00 C ATOM 966 C CYS A 195 12.224 1.362 -2.026 1.00 0.00 C ATOM 967 O CYS A 195 11.655 2.283 -2.607 1.00 0.00 O ATOM 968 CB CYS A 195 11.490 -0.903 -2.832 1.00 0.00 C ATOM 969 SG CYS A 195 11.068 -2.559 -2.229 1.00 0.00 S ATOM 0 H CYS A 195 9.639 1.128 -1.919 1.00 0.00 H new ATOM 0 HA CYS A 195 11.924 -0.367 -0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.788 -0.595 -3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.481 -0.909 -3.285 1.00 0.00 H new ATOM 974 N PRO A 196 13.500 1.444 -1.695 1.00 0.00 N ATOM 975 CA PRO A 196 14.332 2.652 -2.001 1.00 0.00 C ATOM 976 C PRO A 196 14.737 2.723 -3.475 1.00 0.00 C ATOM 977 O PRO A 196 15.535 3.576 -3.866 1.00 0.00 O ATOM 978 CB PRO A 196 15.559 2.463 -1.104 1.00 0.00 C ATOM 979 CG PRO A 196 15.719 0.984 -1.007 1.00 0.00 C ATOM 980 CD PRO A 196 14.298 0.412 -0.997 1.00 0.00 C ATOM 0 HA PRO A 196 13.794 3.582 -1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.443 2.931 -1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.407 2.912 -0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.291 0.596 -1.850 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.259 0.707 -0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.249 -0.548 -1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.939 0.248 0.019 1.00 0.00 H new ATOM 988 N ASN A 197 14.186 1.827 -4.282 1.00 0.00 N ATOM 989 CA ASN A 197 14.501 1.804 -5.704 1.00 0.00 C ATOM 990 C ASN A 197 14.411 3.211 -6.292 1.00 0.00 C ATOM 991 O ASN A 197 13.303 3.675 -6.500 1.00 0.00 O ATOM 992 CB ASN A 197 13.523 0.875 -6.429 1.00 0.00 C ATOM 993 CG ASN A 197 13.921 -0.583 -6.222 1.00 0.00 C ATOM 994 OD1 ASN A 197 15.023 -0.871 -5.759 1.00 0.00 O ATOM 995 ND2 ASN A 197 13.076 -1.525 -6.544 1.00 0.00 N ATOM 996 OXT ASN A 197 15.453 3.801 -6.526 1.00 0.00 O ATOM 0 H ASN A 197 13.524 1.112 -3.980 1.00 0.00 H new ATOM 0 HA ASN A 197 15.519 1.436 -5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.512 1.039 -6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.512 1.108 -7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.329 -2.504 -6.412 1.00 0.00 H new ATOM 0 HD22 ASN A 197 12.163 -1.282 -6.928 1.00 0.00 H new TER 1003 ASN A 197