USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=7 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= -2.55 K(o=-4,f=-0.22) USER MOD Set 1.2: A 181 MET CE :methyl -110:sc= -1.4 (180deg=-0.274) USER MOD Single : A 135 CYS SG : rot 180:sc= 0 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc=-0.00516 X(o=-0.0052,f=-0.43) USER MOD Single : A 146 ASN : amide:sc= -4.54! C(o=-4.5!,f=-4.5!) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= -2.45! K(o=-2.4!,f=-1) USER MOD Single : A 175 SER OG : rot -46:sc= 0.105 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ -164:sc=-0.00377 (180deg=-0.223) USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 135 0.746 0.380 -0.687 1.00 0.00 N ATOM 2 CA CYS A 135 2.102 0.076 -1.109 1.00 0.00 C ATOM 3 C CYS A 135 2.079 -1.240 -1.889 1.00 0.00 C ATOM 4 O CYS A 135 2.982 -1.515 -2.678 1.00 0.00 O ATOM 5 CB CYS A 135 3.065 0.018 0.078 1.00 0.00 C ATOM 6 SG CYS A 135 3.896 1.635 0.289 1.00 0.00 S ATOM 0 HA CYS A 135 2.472 0.873 -1.754 1.00 0.00 H new ATOM 0 HB2 CYS A 135 2.521 -0.242 0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 135 3.808 -0.764 -0.083 1.00 0.00 H new ATOM 0 HG CYS A 135 4.710 1.576 1.301 1.00 0.00 H new ATOM 12 N TYR A 136 1.037 -2.020 -1.641 1.00 0.00 N ATOM 13 CA TYR A 136 0.884 -3.300 -2.310 1.00 0.00 C ATOM 14 C TYR A 136 -0.570 -3.530 -2.729 1.00 0.00 C ATOM 15 O TYR A 136 -1.434 -2.695 -2.466 1.00 0.00 O ATOM 16 CB TYR A 136 1.281 -4.363 -1.282 1.00 0.00 C ATOM 17 CG TYR A 136 2.759 -4.328 -0.891 1.00 0.00 C ATOM 18 CD1 TYR A 136 3.193 -3.457 0.088 1.00 0.00 C ATOM 19 CD2 TYR A 136 3.659 -5.167 -1.516 1.00 0.00 C ATOM 20 CE1 TYR A 136 4.584 -3.424 0.457 1.00 0.00 C ATOM 21 CE2 TYR A 136 5.050 -5.134 -1.147 1.00 0.00 C ATOM 22 CZ TYR A 136 5.444 -4.264 -0.178 1.00 0.00 C ATOM 23 OH TYR A 136 6.759 -4.232 0.171 1.00 0.00 O ATOM 0 H TYR A 136 0.290 -1.790 -0.985 1.00 0.00 H new ATOM 0 HA TYR A 136 1.498 -3.339 -3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 136 0.675 -4.231 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 136 1.045 -5.348 -1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 136 2.489 -2.800 0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 136 3.320 -5.848 -2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 136 4.937 -2.747 1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 136 5.765 -5.785 -1.628 1.00 0.00 H new ATOM 0 HH TYR A 136 7.255 -4.886 -0.364 1.00 0.00 H new ATOM 33 N VAL A 137 -0.794 -4.667 -3.372 1.00 0.00 N ATOM 34 CA VAL A 137 -2.128 -5.017 -3.829 1.00 0.00 C ATOM 35 C VAL A 137 -2.318 -6.531 -3.720 1.00 0.00 C ATOM 36 O VAL A 137 -1.411 -7.299 -4.035 1.00 0.00 O ATOM 37 CB VAL A 137 -2.351 -4.487 -5.247 1.00 0.00 C ATOM 38 CG1 VAL A 137 -2.276 -2.960 -5.279 1.00 0.00 C ATOM 39 CG2 VAL A 137 -1.353 -5.106 -6.228 1.00 0.00 C ATOM 0 H VAL A 137 -0.074 -5.357 -3.587 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.883 -4.548 -3.199 1.00 0.00 H new ATOM 0 HB VAL A 137 -3.353 -4.780 -5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.438 -2.609 -6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.043 -2.544 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.293 -2.637 -4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.534 -4.712 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.338 -4.859 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -1.476 -6.189 -6.237 1.00 0.00 H new ATOM 49 N ARG A 138 -3.505 -6.916 -3.273 1.00 0.00 N ATOM 50 CA ARG A 138 -3.827 -8.324 -3.118 1.00 0.00 C ATOM 51 C ARG A 138 -4.688 -8.803 -4.288 1.00 0.00 C ATOM 52 O ARG A 138 -5.822 -8.355 -4.453 1.00 0.00 O ATOM 53 CB ARG A 138 -4.573 -8.578 -1.807 1.00 0.00 C ATOM 54 CG ARG A 138 -4.184 -9.931 -1.208 1.00 0.00 C ATOM 55 CD ARG A 138 -4.844 -10.138 0.156 1.00 0.00 C ATOM 56 NE ARG A 138 -4.354 -9.123 1.115 1.00 0.00 N ATOM 57 CZ ARG A 138 -4.717 -9.069 2.403 1.00 0.00 C ATOM 58 NH1 ARG A 138 -5.576 -9.971 2.896 1.00 0.00 N ATOM 59 NH2 ARG A 138 -4.220 -8.112 3.200 1.00 0.00 N ATOM 0 H ARG A 138 -4.256 -6.276 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 138 -2.889 -8.879 -3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -4.347 -7.783 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -5.648 -8.551 -1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -4.482 -10.731 -1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -3.100 -9.988 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -5.927 -10.066 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -4.623 -11.138 0.528 1.00 0.00 H new ATOM 0 HE ARG A 138 -3.698 -8.420 0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -5.954 -10.699 2.290 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -5.852 -9.929 3.877 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -3.566 -7.425 2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -4.496 -8.071 4.181 1.00 0.00 H new ATOM 73 N ALA A 139 -4.118 -9.708 -5.070 1.00 0.00 N ATOM 74 CA ALA A 139 -4.820 -10.253 -6.220 1.00 0.00 C ATOM 75 C ALA A 139 -5.740 -11.386 -5.760 1.00 0.00 C ATOM 76 O ALA A 139 -5.270 -12.455 -5.374 1.00 0.00 O ATOM 77 CB ALA A 139 -3.804 -10.716 -7.266 1.00 0.00 C ATOM 0 H ALA A 139 -3.178 -10.078 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.443 -9.490 -6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -4.330 -11.125 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.194 -9.869 -7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -3.162 -11.484 -6.835 1.00 0.00 H new ATOM 83 N LEU A 140 -7.035 -11.112 -5.816 1.00 0.00 N ATOM 84 CA LEU A 140 -8.026 -12.095 -5.410 1.00 0.00 C ATOM 85 C LEU A 140 -8.418 -12.946 -6.619 1.00 0.00 C ATOM 86 O LEU A 140 -9.506 -13.520 -6.652 1.00 0.00 O ATOM 87 CB LEU A 140 -9.212 -11.410 -4.729 1.00 0.00 C ATOM 88 CG LEU A 140 -8.903 -10.099 -4.002 1.00 0.00 C ATOM 89 CD1 LEU A 140 -7.612 -10.215 -3.189 1.00 0.00 C ATOM 90 CD2 LEU A 140 -8.860 -8.925 -4.982 1.00 0.00 C ATOM 0 H LEU A 140 -7.421 -10.224 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.608 -12.772 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.974 -11.213 -5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -9.646 -12.107 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 140 -9.711 -9.900 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -7.415 -9.270 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -7.718 -11.008 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -6.782 -10.449 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -8.639 -8.006 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.085 -9.102 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -9.826 -8.830 -5.478 1.00 0.00 H new ATOM 102 N PHE A 141 -7.511 -13.001 -7.584 1.00 0.00 N ATOM 103 CA PHE A 141 -7.749 -13.773 -8.791 1.00 0.00 C ATOM 104 C PHE A 141 -6.458 -14.429 -9.286 1.00 0.00 C ATOM 105 O PHE A 141 -5.364 -13.950 -8.993 1.00 0.00 O ATOM 106 CB PHE A 141 -8.251 -12.795 -9.855 1.00 0.00 C ATOM 107 CG PHE A 141 -9.733 -12.436 -9.722 1.00 0.00 C ATOM 108 CD1 PHE A 141 -10.128 -11.512 -8.806 1.00 0.00 C ATOM 109 CD2 PHE A 141 -10.653 -13.044 -10.519 1.00 0.00 C ATOM 110 CE1 PHE A 141 -11.503 -11.180 -8.682 1.00 0.00 C ATOM 111 CE2 PHE A 141 -12.028 -12.710 -10.394 1.00 0.00 C ATOM 112 CZ PHE A 141 -12.424 -11.786 -9.479 1.00 0.00 C ATOM 0 H PHE A 141 -6.610 -12.523 -7.554 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.472 -14.563 -8.591 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -7.660 -11.881 -9.801 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.080 -13.227 -10.841 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.397 -11.031 -8.173 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -10.339 -13.779 -11.245 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -11.818 -10.446 -7.955 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -12.760 -13.191 -11.027 1.00 0.00 H new ATOM 0 HZ PHE A 141 -13.470 -11.533 -9.385 1.00 0.00 H new ATOM 122 N ASP A 142 -6.629 -15.514 -10.027 1.00 0.00 N ATOM 123 CA ASP A 142 -5.492 -16.239 -10.566 1.00 0.00 C ATOM 124 C ASP A 142 -5.220 -15.765 -11.994 1.00 0.00 C ATOM 125 O ASP A 142 -6.116 -15.770 -12.835 1.00 0.00 O ATOM 126 CB ASP A 142 -5.769 -17.742 -10.612 1.00 0.00 C ATOM 127 CG ASP A 142 -7.250 -18.126 -10.647 1.00 0.00 C ATOM 128 OD1 ASP A 142 -7.791 -18.195 -11.773 1.00 0.00 O ATOM 129 OD2 ASP A 142 -7.807 -18.341 -9.550 1.00 0.00 O ATOM 0 H ASP A 142 -7.539 -15.908 -10.267 1.00 0.00 H new ATOM 0 HA ASP A 142 -4.635 -16.050 -9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -5.280 -18.160 -11.492 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -5.309 -18.208 -9.741 1.00 0.00 H new ATOM 134 N PHE A 143 -3.977 -15.366 -12.224 1.00 0.00 N ATOM 135 CA PHE A 143 -3.575 -14.888 -13.537 1.00 0.00 C ATOM 136 C PHE A 143 -2.199 -15.436 -13.922 1.00 0.00 C ATOM 137 O PHE A 143 -1.224 -15.236 -13.199 1.00 0.00 O ATOM 138 CB PHE A 143 -3.499 -13.363 -13.455 1.00 0.00 C ATOM 139 CG PHE A 143 -3.777 -12.653 -14.782 1.00 0.00 C ATOM 140 CD1 PHE A 143 -3.092 -13.012 -15.901 1.00 0.00 C ATOM 141 CD2 PHE A 143 -4.709 -11.665 -14.843 1.00 0.00 C ATOM 142 CE1 PHE A 143 -3.349 -12.354 -17.132 1.00 0.00 C ATOM 143 CE2 PHE A 143 -4.966 -11.007 -16.074 1.00 0.00 C ATOM 144 CZ PHE A 143 -4.281 -11.365 -17.193 1.00 0.00 C ATOM 0 H PHE A 143 -3.235 -15.364 -11.524 1.00 0.00 H new ATOM 0 HA PHE A 143 -4.292 -15.219 -14.289 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -4.215 -13.013 -12.711 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.508 -13.077 -13.103 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -2.353 -13.798 -15.853 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -5.254 -11.381 -13.955 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -2.805 -12.639 -18.020 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -5.706 -10.222 -16.122 1.00 0.00 H new ATOM 0 HZ PHE A 143 -4.477 -10.864 -18.130 1.00 0.00 H new ATOM 154 N ASN A 144 -2.164 -16.115 -15.058 1.00 0.00 N ATOM 155 CA ASN A 144 -0.923 -16.692 -15.547 1.00 0.00 C ATOM 156 C ASN A 144 -0.162 -15.643 -16.360 1.00 0.00 C ATOM 157 O ASN A 144 1.053 -15.513 -16.231 1.00 0.00 O ATOM 158 CB ASN A 144 -1.195 -17.891 -16.458 1.00 0.00 C ATOM 159 CG ASN A 144 -1.100 -19.205 -15.681 1.00 0.00 C ATOM 160 OD1 ASN A 144 -1.366 -19.272 -14.491 1.00 0.00 O ATOM 161 ND2 ASN A 144 -0.709 -20.241 -16.415 1.00 0.00 N ATOM 0 H ASN A 144 -2.975 -16.279 -15.655 1.00 0.00 H new ATOM 0 HA ASN A 144 -0.341 -17.018 -14.685 1.00 0.00 H new ATOM 0 HB2 ASN A 144 -2.187 -17.798 -16.901 1.00 0.00 H new ATOM 0 HB3 ASN A 144 -0.478 -17.898 -17.279 1.00 0.00 H new ATOM 0 HD21 ASN A 144 -0.616 -21.162 -15.988 1.00 0.00 H new ATOM 0 HD22 ASN A 144 -0.502 -20.115 -17.406 1.00 0.00 H new ATOM 168 N GLY A 145 -0.911 -14.920 -17.180 1.00 0.00 N ATOM 169 CA GLY A 145 -0.323 -13.886 -18.015 1.00 0.00 C ATOM 170 C GLY A 145 -0.693 -14.090 -19.484 1.00 0.00 C ATOM 171 O GLY A 145 -0.684 -15.216 -19.980 1.00 0.00 O ATOM 0 H GLY A 145 -1.920 -15.030 -17.284 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -0.667 -12.906 -17.683 1.00 0.00 H new ATOM 0 HA3 GLY A 145 0.761 -13.898 -17.905 1.00 0.00 H new ATOM 175 N ASN A 146 -1.009 -12.984 -20.142 1.00 0.00 N ATOM 176 CA ASN A 146 -1.382 -13.027 -21.545 1.00 0.00 C ATOM 177 C ASN A 146 -0.321 -12.300 -22.373 1.00 0.00 C ATOM 178 O ASN A 146 -0.033 -12.692 -23.503 1.00 0.00 O ATOM 179 CB ASN A 146 -2.724 -12.333 -21.780 1.00 0.00 C ATOM 180 CG ASN A 146 -2.653 -10.855 -21.389 1.00 0.00 C ATOM 181 OD1 ASN A 146 -2.349 -9.988 -22.191 1.00 0.00 O ATOM 182 ND2 ASN A 146 -2.950 -10.619 -20.115 1.00 0.00 N ATOM 0 H ASN A 146 -1.014 -12.052 -19.728 1.00 0.00 H new ATOM 0 HA ASN A 146 -1.461 -14.073 -21.841 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -3.005 -12.422 -22.829 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -3.501 -12.830 -21.199 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -2.932 -9.665 -19.755 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -3.196 -11.392 -19.497 1.00 0.00 H new ATOM 189 N ASP A 147 0.233 -11.253 -21.778 1.00 0.00 N ATOM 190 CA ASP A 147 1.256 -10.467 -22.446 1.00 0.00 C ATOM 191 C ASP A 147 2.381 -10.156 -21.458 1.00 0.00 C ATOM 192 O ASP A 147 2.214 -10.322 -20.250 1.00 0.00 O ATOM 193 CB ASP A 147 0.688 -9.139 -22.950 1.00 0.00 C ATOM 194 CG ASP A 147 1.025 -8.802 -24.404 1.00 0.00 C ATOM 195 OD1 ASP A 147 2.168 -8.351 -24.632 1.00 0.00 O ATOM 196 OD2 ASP A 147 0.132 -9.003 -25.255 1.00 0.00 O ATOM 0 H ASP A 147 -0.008 -10.931 -20.841 1.00 0.00 H new ATOM 0 HA ASP A 147 1.626 -11.045 -23.292 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -0.396 -9.159 -22.839 1.00 0.00 H new ATOM 0 HB3 ASP A 147 1.058 -8.337 -22.312 1.00 0.00 H new ATOM 201 N GLU A 148 3.501 -9.710 -22.006 1.00 0.00 N ATOM 202 CA GLU A 148 4.654 -9.375 -21.188 1.00 0.00 C ATOM 203 C GLU A 148 4.511 -7.958 -20.626 1.00 0.00 C ATOM 204 O GLU A 148 5.493 -7.224 -20.526 1.00 0.00 O ATOM 205 CB GLU A 148 5.953 -9.520 -21.982 1.00 0.00 C ATOM 206 CG GLU A 148 6.012 -8.507 -23.127 1.00 0.00 C ATOM 207 CD GLU A 148 5.660 -9.167 -24.462 1.00 0.00 C ATOM 208 OE1 GLU A 148 5.965 -10.371 -24.597 1.00 0.00 O ATOM 209 OE2 GLU A 148 5.095 -8.451 -25.317 1.00 0.00 O ATOM 0 H GLU A 148 3.635 -9.573 -23.008 1.00 0.00 H new ATOM 0 HA GLU A 148 4.698 -10.075 -20.354 1.00 0.00 H new ATOM 0 HB2 GLU A 148 6.806 -9.375 -21.319 1.00 0.00 H new ATOM 0 HB3 GLU A 148 6.028 -10.531 -22.382 1.00 0.00 H new ATOM 0 HG2 GLU A 148 5.321 -7.688 -22.929 1.00 0.00 H new ATOM 0 HG3 GLU A 148 7.011 -8.074 -23.183 1.00 0.00 H new ATOM 216 N GLU A 149 3.280 -7.618 -20.271 1.00 0.00 N ATOM 217 CA GLU A 149 2.996 -6.303 -19.722 1.00 0.00 C ATOM 218 C GLU A 149 2.111 -6.427 -18.480 1.00 0.00 C ATOM 219 O GLU A 149 2.148 -5.569 -17.599 1.00 0.00 O ATOM 220 CB GLU A 149 2.346 -5.399 -20.771 1.00 0.00 C ATOM 221 CG GLU A 149 0.874 -5.765 -20.972 1.00 0.00 C ATOM 222 CD GLU A 149 0.378 -5.305 -22.346 1.00 0.00 C ATOM 223 OE1 GLU A 149 0.708 -4.158 -22.714 1.00 0.00 O ATOM 224 OE2 GLU A 149 -0.321 -6.113 -22.996 1.00 0.00 O ATOM 0 H GLU A 149 2.468 -8.230 -20.353 1.00 0.00 H new ATOM 0 HA GLU A 149 3.939 -5.842 -19.428 1.00 0.00 H new ATOM 0 HB2 GLU A 149 2.426 -4.358 -20.459 1.00 0.00 H new ATOM 0 HB3 GLU A 149 2.880 -5.491 -21.717 1.00 0.00 H new ATOM 0 HG2 GLU A 149 0.747 -6.844 -20.878 1.00 0.00 H new ATOM 0 HG3 GLU A 149 0.271 -5.304 -20.190 1.00 0.00 H new ATOM 231 N ASP A 150 1.335 -7.501 -18.450 1.00 0.00 N ATOM 232 CA ASP A 150 0.442 -7.747 -17.332 1.00 0.00 C ATOM 233 C ASP A 150 1.127 -8.684 -16.334 1.00 0.00 C ATOM 234 O ASP A 150 1.521 -9.793 -16.690 1.00 0.00 O ATOM 235 CB ASP A 150 -0.852 -8.417 -17.797 1.00 0.00 C ATOM 236 CG ASP A 150 -0.728 -9.245 -19.077 1.00 0.00 C ATOM 237 OD1 ASP A 150 -0.237 -10.390 -18.968 1.00 0.00 O ATOM 238 OD2 ASP A 150 -1.125 -8.715 -20.137 1.00 0.00 O ATOM 0 H ASP A 150 1.307 -8.210 -19.183 1.00 0.00 H new ATOM 0 HA ASP A 150 0.206 -6.787 -16.872 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -1.216 -9.063 -16.998 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -1.607 -7.646 -17.953 1.00 0.00 H new ATOM 243 N LEU A 151 1.247 -8.203 -15.105 1.00 0.00 N ATOM 244 CA LEU A 151 1.877 -8.984 -14.054 1.00 0.00 C ATOM 245 C LEU A 151 0.907 -10.066 -13.576 1.00 0.00 C ATOM 246 O LEU A 151 -0.138 -9.757 -13.004 1.00 0.00 O ATOM 247 CB LEU A 151 2.380 -8.070 -12.935 1.00 0.00 C ATOM 248 CG LEU A 151 3.501 -8.634 -12.060 1.00 0.00 C ATOM 249 CD1 LEU A 151 4.854 -8.522 -12.764 1.00 0.00 C ATOM 250 CD2 LEU A 151 3.513 -7.963 -10.685 1.00 0.00 C ATOM 0 H LEU A 151 0.919 -7.282 -14.814 1.00 0.00 H new ATOM 0 HA LEU A 151 2.760 -9.495 -14.437 1.00 0.00 H new ATOM 0 HB2 LEU A 151 2.729 -7.139 -13.383 1.00 0.00 H new ATOM 0 HB3 LEU A 151 1.537 -7.818 -12.292 1.00 0.00 H new ATOM 0 HG LEU A 151 3.308 -9.695 -11.899 1.00 0.00 H new ATOM 0 HD11 LEU A 151 5.634 -8.930 -12.121 1.00 0.00 H new ATOM 0 HD12 LEU A 151 4.825 -9.082 -13.699 1.00 0.00 H new ATOM 0 HD13 LEU A 151 5.069 -7.474 -12.975 1.00 0.00 H new ATOM 0 HD21 LEU A 151 4.319 -8.382 -10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 151 3.669 -6.891 -10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 151 2.559 -8.137 -10.187 1.00 0.00 H new ATOM 262 N PRO A 152 1.296 -11.342 -13.834 1.00 0.00 N ATOM 263 CA PRO A 152 0.471 -12.471 -13.435 1.00 0.00 C ATOM 264 C PRO A 152 0.562 -12.711 -11.927 1.00 0.00 C ATOM 265 O PRO A 152 1.241 -11.971 -11.217 1.00 0.00 O ATOM 266 CB PRO A 152 0.987 -13.643 -14.255 1.00 0.00 C ATOM 267 CG PRO A 152 2.372 -13.241 -14.734 1.00 0.00 C ATOM 268 CD PRO A 152 2.527 -11.745 -14.508 1.00 0.00 C ATOM 0 HA PRO A 152 -0.590 -12.305 -13.624 1.00 0.00 H new ATOM 0 HB2 PRO A 152 1.030 -14.551 -13.654 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.327 -13.850 -15.098 1.00 0.00 H new ATOM 0 HG2 PRO A 152 3.139 -13.791 -14.189 1.00 0.00 H new ATOM 0 HG3 PRO A 152 2.496 -13.483 -15.790 1.00 0.00 H new ATOM 0 HD2 PRO A 152 3.403 -11.526 -13.897 1.00 0.00 H new ATOM 0 HD3 PRO A 152 2.654 -11.213 -15.451 1.00 0.00 H new ATOM 276 N PHE A 153 -0.132 -13.748 -11.483 1.00 0.00 N ATOM 277 CA PHE A 153 -0.138 -14.095 -10.072 1.00 0.00 C ATOM 278 C PHE A 153 -1.138 -15.218 -9.787 1.00 0.00 C ATOM 279 O PHE A 153 -1.780 -15.729 -10.704 1.00 0.00 O ATOM 280 CB PHE A 153 -0.564 -12.842 -9.305 1.00 0.00 C ATOM 281 CG PHE A 153 -1.763 -12.115 -9.917 1.00 0.00 C ATOM 282 CD1 PHE A 153 -2.966 -12.744 -10.005 1.00 0.00 C ATOM 283 CD2 PHE A 153 -1.627 -10.842 -10.374 1.00 0.00 C ATOM 284 CE1 PHE A 153 -4.080 -12.070 -10.573 1.00 0.00 C ATOM 285 CE2 PHE A 153 -2.740 -10.168 -10.942 1.00 0.00 C ATOM 286 CZ PHE A 153 -3.943 -10.796 -11.029 1.00 0.00 C ATOM 0 H PHE A 153 -0.694 -14.359 -12.075 1.00 0.00 H new ATOM 0 HA PHE A 153 0.851 -14.440 -9.770 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.806 -13.121 -8.280 1.00 0.00 H new ATOM 0 HB3 PHE A 153 0.280 -12.153 -9.257 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -3.074 -13.756 -9.643 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -0.672 -10.343 -10.305 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -5.035 -12.569 -10.643 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.631 -9.157 -11.305 1.00 0.00 H new ATOM 0 HZ PHE A 153 -4.790 -10.283 -11.460 1.00 0.00 H new ATOM 296 N LYS A 154 -1.240 -15.568 -8.513 1.00 0.00 N ATOM 297 CA LYS A 154 -2.151 -16.620 -8.097 1.00 0.00 C ATOM 298 C LYS A 154 -3.167 -16.047 -7.108 1.00 0.00 C ATOM 299 O LYS A 154 -2.811 -15.260 -6.232 1.00 0.00 O ATOM 300 CB LYS A 154 -1.371 -17.819 -7.552 1.00 0.00 C ATOM 301 CG LYS A 154 -1.980 -18.318 -6.239 1.00 0.00 C ATOM 302 CD LYS A 154 -1.467 -19.717 -5.895 1.00 0.00 C ATOM 303 CE LYS A 154 -2.345 -20.376 -4.829 1.00 0.00 C ATOM 304 NZ LYS A 154 -1.893 -19.990 -3.473 1.00 0.00 N ATOM 0 H LYS A 154 -0.707 -15.141 -7.755 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.714 -16.996 -8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.373 -18.624 -8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -0.330 -17.538 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -1.732 -17.627 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -3.067 -18.335 -6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -1.454 -20.334 -6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -0.440 -19.654 -5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -3.384 -20.079 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -2.306 -21.460 -4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -2.500 -20.446 -2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -0.908 -20.295 -3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -1.953 -18.957 -3.368 1.00 0.00 H new ATOM 318 N LYS A 155 -4.413 -16.463 -7.281 1.00 0.00 N ATOM 319 CA LYS A 155 -5.484 -16.001 -6.414 1.00 0.00 C ATOM 320 C LYS A 155 -4.968 -15.913 -4.976 1.00 0.00 C ATOM 321 O LYS A 155 -4.473 -16.897 -4.429 1.00 0.00 O ATOM 322 CB LYS A 155 -6.720 -16.888 -6.571 1.00 0.00 C ATOM 323 CG LYS A 155 -7.999 -16.104 -6.264 1.00 0.00 C ATOM 324 CD LYS A 155 -8.141 -15.853 -4.762 1.00 0.00 C ATOM 325 CE LYS A 155 -8.476 -17.147 -4.018 1.00 0.00 C ATOM 326 NZ LYS A 155 -9.939 -17.371 -4.001 1.00 0.00 N ATOM 0 H LYS A 155 -4.705 -17.115 -8.009 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.801 -14.998 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -6.764 -17.280 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -6.645 -17.745 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -7.983 -15.152 -6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -8.865 -16.657 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -7.214 -15.434 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -8.924 -15.115 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -7.979 -17.989 -4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -8.098 -17.095 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -10.149 -18.253 -3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -10.407 -16.575 -3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -10.291 -17.442 -4.977 1.00 0.00 H new ATOM 340 N GLY A 156 -5.103 -14.725 -4.405 1.00 0.00 N ATOM 341 CA GLY A 156 -4.657 -14.495 -3.041 1.00 0.00 C ATOM 342 C GLY A 156 -3.162 -14.173 -3.000 1.00 0.00 C ATOM 343 O GLY A 156 -2.453 -14.613 -2.096 1.00 0.00 O ATOM 0 H GLY A 156 -5.515 -13.911 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.222 -13.672 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.859 -15.378 -2.435 1.00 0.00 H new ATOM 347 N ASP A 157 -2.727 -13.409 -3.991 1.00 0.00 N ATOM 348 CA ASP A 157 -1.328 -13.022 -4.079 1.00 0.00 C ATOM 349 C ASP A 157 -1.193 -11.536 -3.747 1.00 0.00 C ATOM 350 O ASP A 157 -2.191 -10.822 -3.660 1.00 0.00 O ATOM 351 CB ASP A 157 -0.784 -13.243 -5.492 1.00 0.00 C ATOM 352 CG ASP A 157 0.688 -12.874 -5.683 1.00 0.00 C ATOM 353 OD1 ASP A 157 1.531 -13.775 -5.475 1.00 0.00 O ATOM 354 OD2 ASP A 157 0.939 -11.701 -6.032 1.00 0.00 O ATOM 0 H ASP A 157 -3.318 -13.047 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 157 -0.763 -13.634 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 157 -0.917 -14.292 -5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 157 -1.383 -12.659 -6.191 1.00 0.00 H new ATOM 359 N ILE A 158 0.051 -11.112 -3.570 1.00 0.00 N ATOM 360 CA ILE A 158 0.330 -9.723 -3.250 1.00 0.00 C ATOM 361 C ILE A 158 1.262 -9.136 -4.311 1.00 0.00 C ATOM 362 O ILE A 158 2.078 -9.852 -4.889 1.00 0.00 O ATOM 363 CB ILE A 158 0.869 -9.600 -1.822 1.00 0.00 C ATOM 364 CG1 ILE A 158 -0.241 -9.829 -0.795 1.00 0.00 C ATOM 365 CG2 ILE A 158 1.573 -8.258 -1.617 1.00 0.00 C ATOM 366 CD1 ILE A 158 -1.132 -8.591 -0.665 1.00 0.00 C ATOM 0 H ILE A 158 0.876 -11.707 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 158 -0.588 -9.136 -3.272 1.00 0.00 H new ATOM 0 HB ILE A 158 1.614 -10.381 -1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 158 -0.845 -10.686 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 158 0.198 -10.069 0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 158 1.947 -8.196 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 158 2.407 -8.174 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 158 0.868 -7.446 -1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 158 -1.913 -8.780 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 158 -0.529 -7.741 -0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 158 -1.589 -8.369 -1.629 1.00 0.00 H new ATOM 378 N LEU A 159 1.108 -7.839 -4.536 1.00 0.00 N ATOM 379 CA LEU A 159 1.926 -7.148 -5.518 1.00 0.00 C ATOM 380 C LEU A 159 2.237 -5.738 -5.015 1.00 0.00 C ATOM 381 O LEU A 159 1.381 -5.084 -4.419 1.00 0.00 O ATOM 382 CB LEU A 159 1.251 -7.176 -6.892 1.00 0.00 C ATOM 383 CG LEU A 159 0.445 -8.435 -7.217 1.00 0.00 C ATOM 384 CD1 LEU A 159 -0.844 -8.083 -7.962 1.00 0.00 C ATOM 385 CD2 LEU A 159 1.296 -9.446 -7.990 1.00 0.00 C ATOM 0 H LEU A 159 0.429 -7.249 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 159 2.880 -7.659 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.588 -6.314 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.020 -7.053 -7.655 1.00 0.00 H new ATOM 0 HG LEU A 159 0.156 -8.908 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.398 -8.996 -8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.455 -7.427 -7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.598 -7.575 -8.895 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.700 -10.332 -8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.635 -8.997 -8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.160 -9.730 -7.389 1.00 0.00 H new ATOM 397 N ARG A 160 3.464 -5.309 -5.272 1.00 0.00 N ATOM 398 CA ARG A 160 3.899 -3.988 -4.852 1.00 0.00 C ATOM 399 C ARG A 160 3.531 -2.947 -5.911 1.00 0.00 C ATOM 400 O ARG A 160 4.258 -2.765 -6.887 1.00 0.00 O ATOM 401 CB ARG A 160 5.410 -3.954 -4.616 1.00 0.00 C ATOM 402 CG ARG A 160 5.768 -2.981 -3.491 1.00 0.00 C ATOM 403 CD ARG A 160 6.714 -1.888 -3.992 1.00 0.00 C ATOM 404 NE ARG A 160 6.873 -0.843 -2.956 1.00 0.00 N ATOM 405 CZ ARG A 160 7.943 -0.044 -2.853 1.00 0.00 C ATOM 406 NH1 ARG A 160 8.956 -0.165 -3.723 1.00 0.00 N ATOM 407 NH2 ARG A 160 8.002 0.877 -1.881 1.00 0.00 N ATOM 0 H ARG A 160 4.171 -5.853 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 160 3.392 -3.754 -3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.765 -4.953 -4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.918 -3.657 -5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 160 4.860 -2.527 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.237 -3.525 -2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.684 -2.320 -4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.321 -1.447 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 160 6.120 -0.724 -2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 160 8.912 -0.865 -4.463 1.00 0.00 H new ATOM 0 HH12 ARG A 160 9.771 0.443 -3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 160 7.232 0.970 -1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 160 8.817 1.485 -1.803 1.00 0.00 H new ATOM 421 N ILE A 161 2.404 -2.289 -5.684 1.00 0.00 N ATOM 422 CA ILE A 161 1.932 -1.271 -6.607 1.00 0.00 C ATOM 423 C ILE A 161 2.642 0.050 -6.308 1.00 0.00 C ATOM 424 O ILE A 161 2.618 0.530 -5.176 1.00 0.00 O ATOM 425 CB ILE A 161 0.406 -1.173 -6.561 1.00 0.00 C ATOM 426 CG1 ILE A 161 -0.159 -0.773 -7.926 1.00 0.00 C ATOM 427 CG2 ILE A 161 -0.050 -0.224 -5.451 1.00 0.00 C ATOM 428 CD1 ILE A 161 -1.075 -1.865 -8.481 1.00 0.00 C ATOM 0 H ILE A 161 1.803 -2.441 -4.874 1.00 0.00 H new ATOM 0 HA ILE A 161 2.180 -1.542 -7.633 1.00 0.00 H new ATOM 0 HB ILE A 161 0.007 -2.159 -6.324 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -0.714 0.161 -7.834 1.00 0.00 H new ATOM 0 HG13 ILE A 161 0.659 -0.590 -8.623 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -1.139 -0.173 -5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 161 0.305 -0.592 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 161 0.358 0.770 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -1.463 -1.556 -9.451 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -0.511 -2.791 -8.594 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -1.905 -2.028 -7.793 1.00 0.00 H new ATOM 440 N ARG A 162 3.257 0.602 -7.344 1.00 0.00 N ATOM 441 CA ARG A 162 3.973 1.859 -7.207 1.00 0.00 C ATOM 442 C ARG A 162 3.445 2.883 -8.213 1.00 0.00 C ATOM 443 O ARG A 162 3.602 4.088 -8.018 1.00 0.00 O ATOM 444 CB ARG A 162 5.474 1.665 -7.428 1.00 0.00 C ATOM 445 CG ARG A 162 6.258 2.904 -6.991 1.00 0.00 C ATOM 446 CD ARG A 162 7.307 2.547 -5.936 1.00 0.00 C ATOM 447 NE ARG A 162 8.650 2.494 -6.555 1.00 0.00 N ATOM 448 CZ ARG A 162 9.376 3.577 -6.869 1.00 0.00 C ATOM 449 NH1 ARG A 162 8.891 4.802 -6.624 1.00 0.00 N ATOM 450 NH2 ARG A 162 10.586 3.433 -7.428 1.00 0.00 N ATOM 0 H ARG A 162 3.274 0.202 -8.282 1.00 0.00 H new ATOM 0 HA ARG A 162 3.811 2.224 -6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 162 5.818 0.796 -6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 162 5.667 1.461 -8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 162 6.746 3.354 -7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 162 5.572 3.649 -6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 162 7.296 3.286 -5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 162 7.067 1.584 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 162 9.048 1.577 -6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 162 7.970 4.910 -6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 162 9.443 5.626 -6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 162 10.954 2.500 -7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 162 11.139 4.256 -7.667 1.00 0.00 H new ATOM 464 N ASP A 163 2.829 2.367 -9.266 1.00 0.00 N ATOM 465 CA ASP A 163 2.276 3.222 -10.302 1.00 0.00 C ATOM 466 C ASP A 163 0.797 2.884 -10.503 1.00 0.00 C ATOM 467 O ASP A 163 0.449 1.730 -10.746 1.00 0.00 O ATOM 468 CB ASP A 163 2.995 3.006 -11.636 1.00 0.00 C ATOM 469 CG ASP A 163 4.493 3.320 -11.622 1.00 0.00 C ATOM 470 OD1 ASP A 163 4.855 4.324 -10.973 1.00 0.00 O ATOM 471 OD2 ASP A 163 5.240 2.548 -12.260 1.00 0.00 O ATOM 0 H ASP A 163 2.701 1.368 -9.424 1.00 0.00 H new ATOM 0 HA ASP A 163 2.402 4.258 -9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 163 2.860 1.968 -11.941 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.516 3.626 -12.394 1.00 0.00 H new ATOM 476 N LYS A 164 -0.032 3.911 -10.391 1.00 0.00 N ATOM 477 CA LYS A 164 -1.465 3.737 -10.556 1.00 0.00 C ATOM 478 C LYS A 164 -2.017 4.878 -11.413 1.00 0.00 C ATOM 479 O LYS A 164 -2.836 5.669 -10.945 1.00 0.00 O ATOM 480 CB LYS A 164 -2.149 3.603 -9.195 1.00 0.00 C ATOM 481 CG LYS A 164 -1.507 2.488 -8.366 1.00 0.00 C ATOM 482 CD LYS A 164 -1.119 2.993 -6.975 1.00 0.00 C ATOM 483 CE LYS A 164 -1.968 2.323 -5.892 1.00 0.00 C ATOM 484 NZ LYS A 164 -1.478 2.696 -4.545 1.00 0.00 N ATOM 0 H LYS A 164 0.261 4.867 -10.188 1.00 0.00 H new ATOM 0 HA LYS A 164 -1.678 2.808 -11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -2.081 4.548 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -3.209 3.392 -9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -2.202 1.653 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -0.623 2.111 -8.880 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -0.064 2.791 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -1.249 4.074 -6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -3.010 2.622 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -1.932 1.240 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -2.065 2.233 -3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -0.490 2.389 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -1.535 3.728 -4.428 1.00 0.00 H new ATOM 498 N PRO A 165 -1.536 4.929 -12.684 1.00 0.00 N ATOM 499 CA PRO A 165 -1.973 5.961 -13.609 1.00 0.00 C ATOM 500 C PRO A 165 -3.387 5.676 -14.119 1.00 0.00 C ATOM 501 O PRO A 165 -4.255 6.545 -14.071 1.00 0.00 O ATOM 502 CB PRO A 165 -0.931 5.963 -14.716 1.00 0.00 C ATOM 503 CG PRO A 165 -0.210 4.629 -14.612 1.00 0.00 C ATOM 504 CD PRO A 165 -0.566 4.009 -13.270 1.00 0.00 C ATOM 0 HA PRO A 165 -2.041 6.944 -13.142 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -1.400 6.078 -15.693 1.00 0.00 H new ATOM 0 HB3 PRO A 165 -0.235 6.793 -14.596 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -0.507 3.970 -15.428 1.00 0.00 H new ATOM 0 HG3 PRO A 165 0.868 4.770 -14.693 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -0.990 3.012 -13.394 1.00 0.00 H new ATOM 0 HD3 PRO A 165 0.314 3.904 -12.636 1.00 0.00 H new ATOM 512 N GLU A 166 -3.574 4.454 -14.597 1.00 0.00 N ATOM 513 CA GLU A 166 -4.867 4.043 -15.115 1.00 0.00 C ATOM 514 C GLU A 166 -5.858 3.834 -13.968 1.00 0.00 C ATOM 515 O GLU A 166 -5.496 3.966 -12.800 1.00 0.00 O ATOM 516 CB GLU A 166 -4.741 2.779 -15.968 1.00 0.00 C ATOM 517 CG GLU A 166 -3.768 2.996 -17.130 1.00 0.00 C ATOM 518 CD GLU A 166 -2.530 2.110 -16.980 1.00 0.00 C ATOM 519 OE1 GLU A 166 -2.722 0.881 -16.860 1.00 0.00 O ATOM 520 OE2 GLU A 166 -1.419 2.682 -16.990 1.00 0.00 O ATOM 0 H GLU A 166 -2.851 3.736 -14.636 1.00 0.00 H new ATOM 0 HA GLU A 166 -5.247 4.838 -15.757 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -4.395 1.951 -15.349 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -5.720 2.499 -16.356 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -4.267 2.774 -18.073 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -3.468 4.043 -17.167 1.00 0.00 H new ATOM 527 N GLU A 167 -7.087 3.510 -14.342 1.00 0.00 N ATOM 528 CA GLU A 167 -8.132 3.281 -13.358 1.00 0.00 C ATOM 529 C GLU A 167 -8.638 1.840 -13.447 1.00 0.00 C ATOM 530 O GLU A 167 -9.844 1.602 -13.473 1.00 0.00 O ATOM 531 CB GLU A 167 -9.280 4.276 -13.535 1.00 0.00 C ATOM 532 CG GLU A 167 -9.979 4.073 -14.882 1.00 0.00 C ATOM 533 CD GLU A 167 -11.436 4.535 -14.817 1.00 0.00 C ATOM 534 OE1 GLU A 167 -11.656 5.748 -15.025 1.00 0.00 O ATOM 535 OE2 GLU A 167 -12.297 3.665 -14.563 1.00 0.00 O ATOM 0 H GLU A 167 -7.383 3.401 -15.312 1.00 0.00 H new ATOM 0 HA GLU A 167 -7.709 3.437 -12.366 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.000 4.154 -12.726 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -8.897 5.294 -13.470 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -9.451 4.629 -15.657 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -9.939 3.020 -15.162 1.00 0.00 H new ATOM 542 N GLN A 168 -7.689 0.915 -13.491 1.00 0.00 N ATOM 543 CA GLN A 168 -8.023 -0.496 -13.577 1.00 0.00 C ATOM 544 C GLN A 168 -6.753 -1.333 -13.741 1.00 0.00 C ATOM 545 O GLN A 168 -6.685 -2.465 -13.262 1.00 0.00 O ATOM 546 CB GLN A 168 -9.005 -0.759 -14.720 1.00 0.00 C ATOM 547 CG GLN A 168 -10.414 -1.020 -14.185 1.00 0.00 C ATOM 548 CD GLN A 168 -11.113 -2.117 -14.990 1.00 0.00 C ATOM 549 OE1 GLN A 168 -12.241 -1.975 -15.433 1.00 0.00 O ATOM 550 NE2 GLN A 168 -10.381 -3.217 -15.156 1.00 0.00 N ATOM 0 H GLN A 168 -6.689 1.116 -13.469 1.00 0.00 H new ATOM 0 HA GLN A 168 -8.511 -0.791 -12.648 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -9.021 0.097 -15.394 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.669 -1.617 -15.302 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.360 -1.312 -13.136 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -11.000 -0.102 -14.230 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -9.443 -3.270 -14.759 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -10.758 -4.006 -15.681 1.00 0.00 H new ATOM 559 N TRP A 169 -5.779 -0.746 -14.419 1.00 0.00 N ATOM 560 CA TRP A 169 -4.515 -1.423 -14.653 1.00 0.00 C ATOM 561 C TRP A 169 -3.406 -0.593 -14.002 1.00 0.00 C ATOM 562 O TRP A 169 -3.020 0.451 -14.524 1.00 0.00 O ATOM 563 CB TRP A 169 -4.287 -1.659 -16.146 1.00 0.00 C ATOM 564 CG TRP A 169 -5.025 -2.877 -16.704 1.00 0.00 C ATOM 565 CD1 TRP A 169 -6.092 -2.896 -17.515 1.00 0.00 C ATOM 566 CD2 TRP A 169 -4.705 -4.263 -16.458 1.00 0.00 C ATOM 567 NE1 TRP A 169 -6.482 -4.186 -17.808 1.00 0.00 N ATOM 568 CE2 TRP A 169 -5.612 -5.045 -17.145 1.00 0.00 C ATOM 569 CE3 TRP A 169 -3.683 -4.838 -15.682 1.00 0.00 C ATOM 570 CZ2 TRP A 169 -5.587 -6.445 -17.124 1.00 0.00 C ATOM 571 CZ3 TRP A 169 -3.673 -6.237 -15.671 1.00 0.00 C ATOM 572 CH2 TRP A 169 -4.578 -7.038 -16.357 1.00 0.00 C ATOM 0 H TRP A 169 -5.839 0.192 -14.814 1.00 0.00 H new ATOM 0 HA TRP A 169 -4.519 -2.414 -14.200 1.00 0.00 H new ATOM 0 HB2 TRP A 169 -4.603 -0.772 -16.696 1.00 0.00 H new ATOM 0 HB3 TRP A 169 -3.219 -1.781 -16.325 1.00 0.00 H new ATOM 0 HD1 TRP A 169 -6.585 -2.012 -17.892 1.00 0.00 H new ATOM 0 HE1 TRP A 169 -7.265 -4.460 -18.402 1.00 0.00 H new ATOM 0 HE3 TRP A 169 -2.962 -4.246 -15.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 -6.308 -7.035 -17.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 -2.908 -6.729 -15.088 1.00 0.00 H new ATOM 0 HH2 TRP A 169 -4.503 -8.114 -16.298 1.00 0.00 H new ATOM 583 N TRP A 170 -2.925 -1.089 -12.871 1.00 0.00 N ATOM 584 CA TRP A 170 -1.868 -0.406 -12.144 1.00 0.00 C ATOM 585 C TRP A 170 -0.598 -1.250 -12.255 1.00 0.00 C ATOM 586 O TRP A 170 -0.667 -2.463 -12.447 1.00 0.00 O ATOM 587 CB TRP A 170 -2.285 -0.137 -10.697 1.00 0.00 C ATOM 588 CG TRP A 170 -3.436 0.860 -10.556 1.00 0.00 C ATOM 589 CD1 TRP A 170 -3.912 1.708 -11.477 1.00 0.00 C ATOM 590 CD2 TRP A 170 -4.244 1.079 -9.379 1.00 0.00 C ATOM 591 NE1 TRP A 170 -4.962 2.455 -10.984 1.00 0.00 N ATOM 592 CE2 TRP A 170 -5.171 2.060 -9.667 1.00 0.00 C ATOM 593 CE3 TRP A 170 -4.193 0.468 -8.114 1.00 0.00 C ATOM 594 CZ2 TRP A 170 -6.116 2.518 -8.741 1.00 0.00 C ATOM 595 CZ3 TRP A 170 -5.144 0.936 -7.199 1.00 0.00 C ATOM 596 CH2 TRP A 170 -6.084 1.923 -7.474 1.00 0.00 C ATOM 0 H TRP A 170 -3.248 -1.956 -12.440 1.00 0.00 H new ATOM 0 HA TRP A 170 -1.672 0.575 -12.577 1.00 0.00 H new ATOM 0 HB2 TRP A 170 -2.575 -1.079 -10.232 1.00 0.00 H new ATOM 0 HB3 TRP A 170 -1.423 0.238 -10.145 1.00 0.00 H new ATOM 0 HD1 TRP A 170 -3.522 1.796 -12.480 1.00 0.00 H new ATOM 0 HE1 TRP A 170 -5.488 3.166 -11.492 1.00 0.00 H new ATOM 0 HE3 TRP A 170 -3.477 -0.302 -7.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 -6.831 3.288 -8.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 -5.148 0.500 -6.211 1.00 0.00 H new ATOM 0 HH2 TRP A 170 -6.787 2.229 -6.713 1.00 0.00 H new ATOM 607 N ASN A 171 0.536 -0.574 -12.129 1.00 0.00 N ATOM 608 CA ASN A 171 1.821 -1.247 -12.211 1.00 0.00 C ATOM 609 C ASN A 171 2.305 -1.588 -10.800 1.00 0.00 C ATOM 610 O ASN A 171 2.531 -0.696 -9.984 1.00 0.00 O ATOM 611 CB ASN A 171 2.872 -0.348 -12.867 1.00 0.00 C ATOM 612 CG ASN A 171 3.735 -1.142 -13.849 1.00 0.00 C ATOM 613 OD1 ASN A 171 4.951 -1.185 -13.753 1.00 0.00 O ATOM 614 ND2 ASN A 171 3.042 -1.766 -14.797 1.00 0.00 N ATOM 0 H ASN A 171 0.591 0.432 -11.971 1.00 0.00 H new ATOM 0 HA ASN A 171 1.692 -2.148 -12.810 1.00 0.00 H new ATOM 0 HB2 ASN A 171 2.379 0.472 -13.390 1.00 0.00 H new ATOM 0 HB3 ASN A 171 3.505 0.098 -12.100 1.00 0.00 H new ATOM 0 HD21 ASN A 171 3.527 -2.322 -15.501 1.00 0.00 H new ATOM 0 HD22 ASN A 171 2.025 -1.689 -14.820 1.00 0.00 H new ATOM 621 N ALA A 172 2.451 -2.883 -10.556 1.00 0.00 N ATOM 622 CA ALA A 172 2.904 -3.352 -9.258 1.00 0.00 C ATOM 623 C ALA A 172 3.857 -4.533 -9.452 1.00 0.00 C ATOM 624 O ALA A 172 3.872 -5.156 -10.513 1.00 0.00 O ATOM 625 CB ALA A 172 1.693 -3.717 -8.395 1.00 0.00 C ATOM 0 H ALA A 172 2.264 -3.621 -11.235 1.00 0.00 H new ATOM 0 HA ALA A 172 3.452 -2.567 -8.736 1.00 0.00 H new ATOM 0 HB1 ALA A 172 2.033 -4.069 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 172 1.062 -2.838 -8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 172 1.121 -4.504 -8.886 1.00 0.00 H new ATOM 631 N GLU A 173 4.630 -4.806 -8.412 1.00 0.00 N ATOM 632 CA GLU A 173 5.584 -5.900 -8.454 1.00 0.00 C ATOM 633 C GLU A 173 4.936 -7.190 -7.947 1.00 0.00 C ATOM 634 O GLU A 173 3.972 -7.146 -7.184 1.00 0.00 O ATOM 635 CB GLU A 173 6.841 -5.565 -7.649 1.00 0.00 C ATOM 636 CG GLU A 173 7.819 -4.732 -8.481 1.00 0.00 C ATOM 637 CD GLU A 173 7.519 -3.238 -8.348 1.00 0.00 C ATOM 638 OE1 GLU A 173 6.545 -2.796 -8.995 1.00 0.00 O ATOM 639 OE2 GLU A 173 8.269 -2.573 -7.604 1.00 0.00 O ATOM 0 H GLU A 173 4.615 -4.287 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 173 5.887 -6.051 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 173 6.565 -5.016 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 173 7.326 -6.486 -7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 173 8.840 -4.932 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 173 7.754 -5.028 -9.528 1.00 0.00 H new ATOM 646 N ASP A 174 5.491 -8.309 -8.390 1.00 0.00 N ATOM 647 CA ASP A 174 4.980 -9.608 -7.991 1.00 0.00 C ATOM 648 C ASP A 174 5.699 -10.066 -6.720 1.00 0.00 C ATOM 649 O ASP A 174 6.297 -9.255 -6.014 1.00 0.00 O ATOM 650 CB ASP A 174 5.226 -10.655 -9.078 1.00 0.00 C ATOM 651 CG ASP A 174 3.998 -11.477 -9.475 1.00 0.00 C ATOM 652 OD1 ASP A 174 2.885 -10.912 -9.386 1.00 0.00 O ATOM 653 OD2 ASP A 174 4.198 -12.648 -9.860 1.00 0.00 O ATOM 0 H ASP A 174 6.291 -8.342 -9.022 1.00 0.00 H new ATOM 0 HA ASP A 174 3.908 -9.511 -7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 174 5.610 -10.152 -9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 174 6.005 -11.336 -8.735 1.00 0.00 H new ATOM 658 N SER A 175 5.618 -11.365 -6.468 1.00 0.00 N ATOM 659 CA SER A 175 6.254 -11.940 -5.295 1.00 0.00 C ATOM 660 C SER A 175 7.744 -12.168 -5.566 1.00 0.00 C ATOM 661 O SER A 175 8.419 -12.853 -4.802 1.00 0.00 O ATOM 662 CB SER A 175 5.582 -13.254 -4.893 1.00 0.00 C ATOM 663 OG SER A 175 5.878 -13.614 -3.547 1.00 0.00 O ATOM 0 H SER A 175 5.122 -12.035 -7.056 1.00 0.00 H new ATOM 0 HA SER A 175 6.144 -11.238 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 175 4.503 -13.161 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 175 5.911 -14.049 -5.562 1.00 0.00 H new ATOM 0 HG SER A 175 6.838 -13.503 -3.382 1.00 0.00 H new ATOM 669 N GLU A 176 8.210 -11.578 -6.658 1.00 0.00 N ATOM 670 CA GLU A 176 9.606 -11.708 -7.040 1.00 0.00 C ATOM 671 C GLU A 176 10.192 -10.338 -7.385 1.00 0.00 C ATOM 672 O GLU A 176 11.391 -10.213 -7.623 1.00 0.00 O ATOM 673 CB GLU A 176 9.767 -12.683 -8.207 1.00 0.00 C ATOM 674 CG GLU A 176 9.445 -14.115 -7.774 1.00 0.00 C ATOM 675 CD GLU A 176 8.277 -14.683 -8.583 1.00 0.00 C ATOM 676 OE1 GLU A 176 8.175 -14.310 -9.771 1.00 0.00 O ATOM 677 OE2 GLU A 176 7.513 -15.477 -7.994 1.00 0.00 O ATOM 0 H GLU A 176 7.646 -11.009 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 176 10.158 -12.114 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 176 9.108 -12.390 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 176 10.787 -12.635 -8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 176 10.324 -14.745 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 176 9.199 -14.131 -6.712 1.00 0.00 H new ATOM 684 N GLY A 177 9.316 -9.343 -7.401 1.00 0.00 N ATOM 685 CA GLY A 177 9.731 -7.986 -7.714 1.00 0.00 C ATOM 686 C GLY A 177 9.371 -7.621 -9.156 1.00 0.00 C ATOM 687 O GLY A 177 9.422 -6.452 -9.535 1.00 0.00 O ATOM 0 H GLY A 177 8.321 -9.450 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 177 9.251 -7.288 -7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 177 10.807 -7.888 -7.568 1.00 0.00 H new ATOM 691 N LYS A 178 9.015 -8.644 -9.920 1.00 0.00 N ATOM 692 CA LYS A 178 8.647 -8.445 -11.311 1.00 0.00 C ATOM 693 C LYS A 178 7.563 -7.368 -11.399 1.00 0.00 C ATOM 694 O LYS A 178 6.443 -7.570 -10.935 1.00 0.00 O ATOM 695 CB LYS A 178 8.246 -9.774 -11.955 1.00 0.00 C ATOM 696 CG LYS A 178 9.468 -10.669 -12.171 1.00 0.00 C ATOM 697 CD LYS A 178 9.508 -11.204 -13.605 1.00 0.00 C ATOM 698 CE LYS A 178 8.708 -12.502 -13.728 1.00 0.00 C ATOM 699 NZ LYS A 178 9.455 -13.497 -14.529 1.00 0.00 N ATOM 0 H LYS A 178 8.974 -9.612 -9.602 1.00 0.00 H new ATOM 0 HA LYS A 178 9.502 -8.085 -11.883 1.00 0.00 H new ATOM 0 HB2 LYS A 178 7.523 -10.286 -11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 178 7.755 -9.586 -12.910 1.00 0.00 H new ATOM 0 HG2 LYS A 178 10.378 -10.105 -11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 178 9.442 -11.502 -11.469 1.00 0.00 H new ATOM 0 HD2 LYS A 178 9.103 -10.457 -14.287 1.00 0.00 H new ATOM 0 HD3 LYS A 178 10.542 -11.380 -13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 178 8.503 -12.905 -12.736 1.00 0.00 H new ATOM 0 HE3 LYS A 178 7.744 -12.299 -14.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 8.898 -14.372 -14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 9.629 -13.116 -15.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 10.364 -13.703 -14.067 1.00 0.00 H new ATOM 713 N ARG A 179 7.937 -6.246 -11.999 1.00 0.00 N ATOM 714 CA ARG A 179 7.011 -5.138 -12.153 1.00 0.00 C ATOM 715 C ARG A 179 6.231 -5.275 -13.463 1.00 0.00 C ATOM 716 O ARG A 179 6.824 -5.393 -14.533 1.00 0.00 O ATOM 717 CB ARG A 179 7.751 -3.798 -12.148 1.00 0.00 C ATOM 718 CG ARG A 179 8.971 -3.849 -11.225 1.00 0.00 C ATOM 719 CD ARG A 179 10.215 -3.306 -11.933 1.00 0.00 C ATOM 720 NE ARG A 179 11.181 -4.402 -12.168 1.00 0.00 N ATOM 721 CZ ARG A 179 12.111 -4.787 -11.284 1.00 0.00 C ATOM 722 NH1 ARG A 179 12.207 -4.167 -10.099 1.00 0.00 N ATOM 723 NH2 ARG A 179 12.946 -5.791 -11.584 1.00 0.00 N ATOM 0 H ARG A 179 8.867 -6.082 -12.383 1.00 0.00 H new ATOM 0 HA ARG A 179 6.320 -5.164 -11.310 1.00 0.00 H new ATOM 0 HB2 ARG A 179 8.067 -3.549 -13.161 1.00 0.00 H new ATOM 0 HB3 ARG A 179 7.076 -3.007 -11.821 1.00 0.00 H new ATOM 0 HG2 ARG A 179 8.776 -3.265 -10.325 1.00 0.00 H new ATOM 0 HG3 ARG A 179 9.148 -4.876 -10.906 1.00 0.00 H new ATOM 0 HD2 ARG A 179 9.933 -2.848 -12.881 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.677 -2.526 -11.328 1.00 0.00 H new ATOM 0 HE ARG A 179 11.136 -4.896 -13.059 1.00 0.00 H new ATOM 0 HH11 ARG A 179 11.572 -3.402 -9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 179 12.915 -4.460 -9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 179 12.874 -6.262 -12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 179 13.654 -6.084 -10.911 1.00 0.00 H new ATOM 737 N GLY A 180 4.912 -5.257 -13.333 1.00 0.00 N ATOM 738 CA GLY A 180 4.045 -5.379 -14.492 1.00 0.00 C ATOM 739 C GLY A 180 2.686 -4.726 -14.230 1.00 0.00 C ATOM 740 O GLY A 180 2.528 -3.977 -13.267 1.00 0.00 O ATOM 0 H GLY A 180 4.423 -5.160 -12.443 1.00 0.00 H new ATOM 0 HA2 GLY A 180 4.517 -4.910 -15.355 1.00 0.00 H new ATOM 0 HA3 GLY A 180 3.906 -6.432 -14.737 1.00 0.00 H new ATOM 744 N MET A 181 1.739 -5.036 -15.104 1.00 0.00 N ATOM 745 CA MET A 181 0.398 -4.489 -14.979 1.00 0.00 C ATOM 746 C MET A 181 -0.562 -5.521 -14.383 1.00 0.00 C ATOM 747 O MET A 181 -0.677 -6.634 -14.893 1.00 0.00 O ATOM 748 CB MET A 181 -0.107 -4.058 -16.357 1.00 0.00 C ATOM 749 CG MET A 181 -1.220 -3.015 -16.232 1.00 0.00 C ATOM 750 SD MET A 181 -0.729 -1.499 -17.036 1.00 0.00 S ATOM 751 CE MET A 181 0.067 -0.669 -15.671 1.00 0.00 C ATOM 0 H MET A 181 1.874 -5.658 -15.901 1.00 0.00 H new ATOM 0 HA MET A 181 0.437 -3.629 -14.311 1.00 0.00 H new ATOM 0 HB2 MET A 181 0.718 -3.647 -16.938 1.00 0.00 H new ATOM 0 HB3 MET A 181 -0.478 -4.927 -16.901 1.00 0.00 H new ATOM 0 HG2 MET A 181 -2.137 -3.394 -16.682 1.00 0.00 H new ATOM 0 HG3 MET A 181 -1.436 -2.825 -15.180 1.00 0.00 H new ATOM 0 HE1 MET A 181 -0.542 0.178 -15.355 1.00 0.00 H new ATOM 0 HE2 MET A 181 0.182 -1.364 -14.839 1.00 0.00 H new ATOM 0 HE3 MET A 181 1.048 -0.313 -15.984 1.00 0.00 H new ATOM 761 N ILE A 182 -1.225 -5.114 -13.311 1.00 0.00 N ATOM 762 CA ILE A 182 -2.171 -5.989 -12.639 1.00 0.00 C ATOM 763 C ILE A 182 -3.548 -5.321 -12.614 1.00 0.00 C ATOM 764 O ILE A 182 -3.646 -4.096 -12.573 1.00 0.00 O ATOM 765 CB ILE A 182 -1.651 -6.378 -11.254 1.00 0.00 C ATOM 766 CG1 ILE A 182 -1.171 -5.147 -10.483 1.00 0.00 C ATOM 767 CG2 ILE A 182 -0.563 -7.449 -11.357 1.00 0.00 C ATOM 768 CD1 ILE A 182 -2.341 -4.218 -10.152 1.00 0.00 C ATOM 0 H ILE A 182 -1.126 -4.190 -12.891 1.00 0.00 H new ATOM 0 HA ILE A 182 -2.280 -6.925 -13.187 1.00 0.00 H new ATOM 0 HB ILE A 182 -2.477 -6.811 -10.689 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -0.678 -5.459 -9.562 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -0.430 -4.609 -11.074 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -0.211 -7.707 -10.358 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -0.971 -8.337 -11.839 1.00 0.00 H new ATOM 0 HG23 ILE A 182 0.269 -7.066 -11.948 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -1.973 -3.351 -9.604 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -2.817 -3.889 -11.076 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -3.068 -4.752 -9.540 1.00 0.00 H new ATOM 780 N PRO A 183 -4.602 -6.179 -12.642 1.00 0.00 N ATOM 781 CA PRO A 183 -5.969 -5.686 -12.623 1.00 0.00 C ATOM 782 C PRO A 183 -6.356 -5.199 -11.225 1.00 0.00 C ATOM 783 O PRO A 183 -6.231 -5.938 -10.250 1.00 0.00 O ATOM 784 CB PRO A 183 -6.816 -6.853 -13.101 1.00 0.00 C ATOM 785 CG PRO A 183 -5.954 -8.093 -12.927 1.00 0.00 C ATOM 786 CD PRO A 183 -4.523 -7.636 -12.692 1.00 0.00 C ATOM 0 HA PRO A 183 -6.112 -4.818 -13.267 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.735 -6.932 -12.521 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -7.107 -6.723 -14.143 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -6.308 -8.689 -12.086 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -6.012 -8.726 -13.813 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -4.125 -8.043 -11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -3.864 -7.969 -13.494 1.00 0.00 H new ATOM 794 N VAL A 184 -6.820 -3.958 -11.172 1.00 0.00 N ATOM 795 CA VAL A 184 -7.226 -3.365 -9.910 1.00 0.00 C ATOM 796 C VAL A 184 -8.496 -4.058 -9.412 1.00 0.00 C ATOM 797 O VAL A 184 -8.728 -4.142 -8.207 1.00 0.00 O ATOM 798 CB VAL A 184 -7.396 -1.852 -10.074 1.00 0.00 C ATOM 799 CG1 VAL A 184 -8.070 -1.240 -8.845 1.00 0.00 C ATOM 800 CG2 VAL A 184 -6.051 -1.178 -10.354 1.00 0.00 C ATOM 0 H VAL A 184 -6.923 -3.348 -11.983 1.00 0.00 H new ATOM 0 HA VAL A 184 -6.456 -3.513 -9.153 1.00 0.00 H new ATOM 0 HB VAL A 184 -8.044 -1.678 -10.933 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -8.179 -0.165 -8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -9.054 -1.689 -8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -7.459 -1.429 -7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -6.199 -0.104 -10.467 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -5.370 -1.366 -9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -5.625 -1.584 -11.272 1.00 0.00 H new ATOM 810 N PRO A 185 -9.304 -4.548 -10.388 1.00 0.00 N ATOM 811 CA PRO A 185 -10.544 -5.230 -10.060 1.00 0.00 C ATOM 812 C PRO A 185 -10.271 -6.640 -9.531 1.00 0.00 C ATOM 813 O PRO A 185 -11.087 -7.203 -8.803 1.00 0.00 O ATOM 814 CB PRO A 185 -11.349 -5.226 -11.350 1.00 0.00 C ATOM 815 CG PRO A 185 -10.350 -4.958 -12.464 1.00 0.00 C ATOM 816 CD PRO A 185 -9.062 -4.465 -11.825 1.00 0.00 C ATOM 0 HA PRO A 185 -11.096 -4.737 -9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 185 -11.853 -6.181 -11.499 1.00 0.00 H new ATOM 0 HB3 PRO A 185 -12.122 -4.458 -11.326 1.00 0.00 H new ATOM 0 HG2 PRO A 185 -10.168 -5.865 -13.040 1.00 0.00 H new ATOM 0 HG3 PRO A 185 -10.742 -4.214 -13.157 1.00 0.00 H new ATOM 0 HD2 PRO A 185 -8.213 -5.082 -12.120 1.00 0.00 H new ATOM 0 HD3 PRO A 185 -8.835 -3.443 -12.130 1.00 0.00 H new ATOM 824 N TYR A 186 -9.119 -7.169 -9.918 1.00 0.00 N ATOM 825 CA TYR A 186 -8.728 -8.503 -9.491 1.00 0.00 C ATOM 826 C TYR A 186 -7.746 -8.437 -8.320 1.00 0.00 C ATOM 827 O TYR A 186 -7.303 -9.469 -7.817 1.00 0.00 O ATOM 828 CB TYR A 186 -8.028 -9.141 -10.693 1.00 0.00 C ATOM 829 CG TYR A 186 -8.986 -9.682 -11.755 1.00 0.00 C ATOM 830 CD1 TYR A 186 -10.030 -8.900 -12.206 1.00 0.00 C ATOM 831 CD2 TYR A 186 -8.807 -10.953 -12.264 1.00 0.00 C ATOM 832 CE1 TYR A 186 -10.932 -9.409 -13.206 1.00 0.00 C ATOM 833 CE2 TYR A 186 -9.709 -11.462 -13.263 1.00 0.00 C ATOM 834 CZ TYR A 186 -10.727 -10.665 -13.686 1.00 0.00 C ATOM 835 OH TYR A 186 -11.578 -11.146 -14.631 1.00 0.00 O ATOM 0 H TYR A 186 -8.444 -6.699 -10.522 1.00 0.00 H new ATOM 0 HA TYR A 186 -9.598 -9.072 -9.163 1.00 0.00 H new ATOM 0 HB2 TYR A 186 -7.372 -8.402 -11.153 1.00 0.00 H new ATOM 0 HB3 TYR A 186 -7.394 -9.955 -10.341 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -10.170 -7.906 -11.809 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -7.990 -11.565 -11.912 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -11.753 -8.807 -13.567 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -9.581 -12.455 -13.668 1.00 0.00 H new ATOM 0 HH TYR A 186 -11.309 -12.055 -14.881 1.00 0.00 H new ATOM 845 N VAL A 187 -7.434 -7.214 -7.919 1.00 0.00 N ATOM 846 CA VAL A 187 -6.512 -7.000 -6.815 1.00 0.00 C ATOM 847 C VAL A 187 -7.093 -5.949 -5.867 1.00 0.00 C ATOM 848 O VAL A 187 -7.899 -5.115 -6.278 1.00 0.00 O ATOM 849 CB VAL A 187 -5.131 -6.621 -7.353 1.00 0.00 C ATOM 850 CG1 VAL A 187 -4.698 -7.572 -8.472 1.00 0.00 C ATOM 851 CG2 VAL A 187 -5.107 -5.167 -7.829 1.00 0.00 C ATOM 0 H VAL A 187 -7.803 -6.360 -8.338 1.00 0.00 H new ATOM 0 HA VAL A 187 -6.383 -7.918 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 187 -4.416 -6.717 -6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -3.713 -7.280 -8.837 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.655 -8.591 -8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.417 -7.523 -9.290 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.114 -4.924 -8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -5.840 -5.032 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -5.350 -4.507 -6.996 1.00 0.00 H new ATOM 861 N GLU A 188 -6.662 -6.023 -4.616 1.00 0.00 N ATOM 862 CA GLU A 188 -7.129 -5.089 -3.606 1.00 0.00 C ATOM 863 C GLU A 188 -6.032 -4.076 -3.273 1.00 0.00 C ATOM 864 O GLU A 188 -4.854 -4.324 -3.527 1.00 0.00 O ATOM 865 CB GLU A 188 -7.593 -5.828 -2.350 1.00 0.00 C ATOM 866 CG GLU A 188 -8.717 -5.062 -1.648 1.00 0.00 C ATOM 867 CD GLU A 188 -8.297 -4.641 -0.238 1.00 0.00 C ATOM 868 OE1 GLU A 188 -7.083 -4.397 -0.056 1.00 0.00 O ATOM 869 OE2 GLU A 188 -9.196 -4.573 0.626 1.00 0.00 O ATOM 0 H GLU A 188 -5.994 -6.716 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 188 -7.986 -4.548 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -7.940 -6.826 -2.618 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -6.753 -5.955 -1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -8.980 -4.180 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -9.609 -5.686 -1.594 1.00 0.00 H new ATOM 876 N LYS A 189 -6.459 -2.954 -2.709 1.00 0.00 N ATOM 877 CA LYS A 189 -5.527 -1.903 -2.339 1.00 0.00 C ATOM 878 C LYS A 189 -5.022 -2.152 -0.916 1.00 0.00 C ATOM 879 O LYS A 189 -5.779 -2.025 0.046 1.00 0.00 O ATOM 880 CB LYS A 189 -6.168 -0.528 -2.532 1.00 0.00 C ATOM 881 CG LYS A 189 -5.730 0.101 -3.856 1.00 0.00 C ATOM 882 CD LYS A 189 -4.533 1.031 -3.652 1.00 0.00 C ATOM 883 CE LYS A 189 -4.953 2.320 -2.942 1.00 0.00 C ATOM 884 NZ LYS A 189 -5.752 3.174 -3.850 1.00 0.00 N ATOM 0 H LYS A 189 -7.437 -2.751 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 189 -4.656 -1.918 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -7.254 -0.623 -2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -5.890 0.126 -1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -5.469 -0.683 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -6.560 0.660 -4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -3.768 0.522 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -4.087 1.272 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -5.536 2.079 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -4.069 2.862 -2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 -5.799 4.139 -3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 -5.305 3.196 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 -6.714 2.787 -3.934 1.00 0.00 H new ATOM 898 N TYR A 190 -3.748 -2.503 -0.827 1.00 0.00 N ATOM 899 CA TYR A 190 -3.134 -2.771 0.462 1.00 0.00 C ATOM 900 C TYR A 190 -2.678 -1.474 1.132 1.00 0.00 C ATOM 901 O TYR A 190 -3.089 -1.172 2.253 1.00 0.00 O ATOM 902 CB TYR A 190 -1.909 -3.639 0.173 1.00 0.00 C ATOM 903 CG TYR A 190 -1.308 -4.301 1.414 1.00 0.00 C ATOM 904 CD1 TYR A 190 -0.559 -3.554 2.301 1.00 0.00 C ATOM 905 CD2 TYR A 190 -1.514 -5.646 1.648 1.00 0.00 C ATOM 906 CE1 TYR A 190 0.006 -4.177 3.469 1.00 0.00 C ATOM 907 CE2 TYR A 190 -0.948 -6.269 2.817 1.00 0.00 C ATOM 908 CZ TYR A 190 -0.216 -5.504 3.669 1.00 0.00 C ATOM 909 OH TYR A 190 0.318 -6.093 4.773 1.00 0.00 O ATOM 0 H TYR A 190 -3.124 -2.608 -1.627 1.00 0.00 H new ATOM 0 HA TYR A 190 -3.843 -3.258 1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 190 -2.186 -4.414 -0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 190 -1.146 -3.024 -0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 190 -0.397 -2.502 2.118 1.00 0.00 H new ATOM 0 HD2 TYR A 190 -2.100 -6.231 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 190 0.593 -3.604 4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 190 -1.102 -7.320 3.012 1.00 0.00 H new ATOM 0 HH TYR A 190 0.077 -7.043 4.786 1.00 0.00 H new ATOM 919 N GLY A 191 -1.835 -0.741 0.419 1.00 0.00 N ATOM 920 CA GLY A 191 -1.319 0.517 0.932 1.00 0.00 C ATOM 921 C GLY A 191 0.185 0.637 0.677 1.00 0.00 C ATOM 922 O GLY A 191 0.925 1.127 1.528 1.00 0.00 O ATOM 0 H GLY A 191 -1.497 -0.994 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 191 -1.840 1.349 0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 191 -1.517 0.586 2.002 1.00 0.00 H new TER 926 GLY A 191