USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 331 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 181 GLN : amide:sc= 0.668 K(o=2,f=-13!) USER MOD Set 1.2: A 185 LYS NZ :NH3+ -162:sc= 1.3 (180deg=-0.000638) USER MOD Single : A 152 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 164 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 145:sc= 1.3 (180deg=0.619) USER MOD Single : A 173 GLN :FLIP amide:sc= -0.0042 F(o=-1.4!,f=-0.0042) USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 LYS NZ :NH3+ 139:sc= 1.28 (180deg=0.281) USER MOD Single : A 189 LYS NZ :NH3+ -164:sc= -0.0373 (180deg=-0.331) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 149 0.435 4.046 16.337 1.00 0.00 N ATOM 2 CA GLY A 149 0.789 4.982 15.279 1.00 0.00 C ATOM 3 C GLY A 149 0.535 4.365 13.928 1.00 0.00 C ATOM 4 O GLY A 149 -0.009 3.255 13.863 1.00 0.00 O ATOM 0 HA2 GLY A 149 0.206 5.897 15.384 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.839 5.261 15.367 1.00 0.00 H new ATOM 10 N PRO A 150 0.900 5.046 12.830 1.00 0.00 N ATOM 11 CA PRO A 150 0.733 4.522 11.484 1.00 0.00 C ATOM 12 C PRO A 150 1.796 3.470 11.156 1.00 0.00 C ATOM 13 O PRO A 150 2.971 3.794 10.926 1.00 0.00 O ATOM 14 CB PRO A 150 0.901 5.754 10.577 1.00 0.00 C ATOM 15 CG PRO A 150 0.992 6.927 11.502 1.00 0.00 C ATOM 16 CD PRO A 150 1.488 6.389 12.806 1.00 0.00 C ATOM 0 HA PRO A 150 -0.229 4.026 11.356 1.00 0.00 H new ATOM 0 HB2 PRO A 150 1.797 5.669 9.963 1.00 0.00 H new ATOM 0 HB3 PRO A 150 0.056 5.857 9.896 1.00 0.00 H new ATOM 0 HG2 PRO A 150 1.672 7.682 11.108 1.00 0.00 H new ATOM 0 HG3 PRO A 150 0.020 7.405 11.622 1.00 0.00 H new ATOM 0 HD2 PRO A 150 2.577 6.358 12.846 1.00 0.00 H new ATOM 0 HD3 PRO A 150 1.155 6.994 13.649 1.00 0.00 H new ATOM 24 N GLY A 151 1.396 2.232 11.212 1.00 0.00 N ATOM 25 CA GLY A 151 2.265 1.132 10.903 1.00 0.00 C ATOM 26 C GLY A 151 1.545 0.167 10.016 1.00 0.00 C ATOM 27 O GLY A 151 0.624 -0.512 10.471 1.00 0.00 O ATOM 0 H GLY A 151 0.450 1.955 11.475 1.00 0.00 H new ATOM 0 HA2 GLY A 151 3.167 1.494 10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 151 2.581 0.635 11.820 1.00 0.00 H new ATOM 31 N SER A 152 1.941 0.134 8.739 1.00 0.00 N ATOM 32 CA SER A 152 1.295 -0.668 7.693 1.00 0.00 C ATOM 33 C SER A 152 -0.114 -0.126 7.442 1.00 0.00 C ATOM 34 O SER A 152 -0.985 -0.822 6.939 1.00 0.00 O ATOM 35 CB SER A 152 1.245 -2.158 8.082 1.00 0.00 C ATOM 36 OG SER A 152 2.546 -2.654 8.384 1.00 0.00 O ATOM 0 H SER A 152 2.735 0.675 8.396 1.00 0.00 H new ATOM 0 HA SER A 152 1.881 -0.592 6.777 1.00 0.00 H new ATOM 0 HB2 SER A 152 0.593 -2.290 8.945 1.00 0.00 H new ATOM 0 HB3 SER A 152 0.813 -2.736 7.265 1.00 0.00 H new ATOM 0 HG SER A 152 2.486 -3.601 8.629 1.00 0.00 H new ATOM 42 N GLU A 153 -0.283 1.150 7.720 1.00 0.00 N ATOM 43 CA GLU A 153 -1.566 1.828 7.643 1.00 0.00 C ATOM 44 C GLU A 153 -2.160 1.786 6.226 1.00 0.00 C ATOM 45 O GLU A 153 -3.365 1.654 6.049 1.00 0.00 O ATOM 46 CB GLU A 153 -1.386 3.264 8.125 1.00 0.00 C ATOM 47 CG GLU A 153 -2.642 4.095 8.105 1.00 0.00 C ATOM 48 CD GLU A 153 -2.410 5.467 8.643 1.00 0.00 C ATOM 49 OE1 GLU A 153 -1.690 6.260 8.003 1.00 0.00 O ATOM 50 OE2 GLU A 153 -2.962 5.783 9.718 1.00 0.00 O ATOM 0 H GLU A 153 0.481 1.759 8.012 1.00 0.00 H new ATOM 0 HA GLU A 153 -2.279 1.309 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -0.995 3.245 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -0.634 3.750 7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -3.015 4.164 7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -3.414 3.600 8.694 1.00 0.00 H new ATOM 57 N ASP A 154 -1.306 1.824 5.239 1.00 0.00 N ATOM 58 CA ASP A 154 -1.735 1.854 3.836 1.00 0.00 C ATOM 59 C ASP A 154 -1.720 0.470 3.225 1.00 0.00 C ATOM 60 O ASP A 154 -1.876 0.319 2.010 1.00 0.00 O ATOM 61 CB ASP A 154 -0.823 2.771 3.003 1.00 0.00 C ATOM 62 CG ASP A 154 -0.953 4.240 3.333 1.00 0.00 C ATOM 63 OD1 ASP A 154 -0.426 4.682 4.384 1.00 0.00 O ATOM 64 OD2 ASP A 154 -1.564 4.985 2.532 1.00 0.00 O ATOM 0 H ASP A 154 -0.294 1.835 5.367 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.754 2.240 3.824 1.00 0.00 H new ATOM 0 HB2 ASP A 154 0.213 2.467 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -1.049 2.626 1.946 1.00 0.00 H new ATOM 69 N ASP A 155 -1.542 -0.539 4.053 1.00 0.00 N ATOM 70 CA ASP A 155 -1.443 -1.909 3.547 1.00 0.00 C ATOM 71 C ASP A 155 -2.348 -2.861 4.327 1.00 0.00 C ATOM 72 O ASP A 155 -2.990 -3.733 3.751 1.00 0.00 O ATOM 73 CB ASP A 155 0.013 -2.386 3.592 1.00 0.00 C ATOM 74 CG ASP A 155 0.222 -3.741 2.947 1.00 0.00 C ATOM 75 OD1 ASP A 155 0.312 -3.811 1.690 1.00 0.00 O ATOM 76 OD2 ASP A 155 0.345 -4.751 3.680 1.00 0.00 O ATOM 0 H ASP A 155 -1.463 -0.448 5.066 1.00 0.00 H new ATOM 0 HA ASP A 155 -1.782 -1.911 2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 155 0.644 -1.652 3.091 1.00 0.00 H new ATOM 0 HB3 ASP A 155 0.341 -2.432 4.631 1.00 0.00 H new ATOM 81 N ASP A 156 -2.406 -2.680 5.638 1.00 0.00 N ATOM 82 CA ASP A 156 -3.263 -3.512 6.503 1.00 0.00 C ATOM 83 C ASP A 156 -4.685 -3.007 6.446 1.00 0.00 C ATOM 84 O ASP A 156 -5.653 -3.761 6.581 1.00 0.00 O ATOM 85 CB ASP A 156 -2.741 -3.527 7.949 1.00 0.00 C ATOM 86 CG ASP A 156 -3.568 -4.398 8.890 1.00 0.00 C ATOM 87 OD1 ASP A 156 -3.562 -5.644 8.735 1.00 0.00 O ATOM 88 OD2 ASP A 156 -4.176 -3.852 9.842 1.00 0.00 O ATOM 0 H ASP A 156 -1.874 -1.967 6.136 1.00 0.00 H new ATOM 0 HA ASP A 156 -3.239 -4.539 6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -1.711 -3.883 7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -2.726 -2.506 8.331 1.00 0.00 H new ATOM 93 N ILE A 157 -4.803 -1.731 6.216 1.00 0.00 N ATOM 94 CA ILE A 157 -6.083 -1.106 6.030 1.00 0.00 C ATOM 95 C ILE A 157 -6.317 -1.020 4.537 1.00 0.00 C ATOM 96 O ILE A 157 -5.833 -0.100 3.862 1.00 0.00 O ATOM 97 CB ILE A 157 -6.144 0.312 6.657 1.00 0.00 C ATOM 98 CG1 ILE A 157 -5.777 0.265 8.148 1.00 0.00 C ATOM 99 CG2 ILE A 157 -7.530 0.944 6.465 1.00 0.00 C ATOM 100 CD1 ILE A 157 -6.715 -0.570 8.995 1.00 0.00 C ATOM 0 H ILE A 157 -4.011 -1.091 6.152 1.00 0.00 H new ATOM 0 HA ILE A 157 -6.851 -1.696 6.529 1.00 0.00 H new ATOM 0 HB ILE A 157 -5.414 0.935 6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.766 -0.130 8.249 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.762 1.282 8.539 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -7.543 1.937 6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -7.749 1.025 5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -8.284 0.319 6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -6.384 -0.549 10.033 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -7.724 -0.164 8.928 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -6.713 -1.598 8.634 1.00 0.00 H new ATOM 112 N ASP A 158 -6.974 -2.014 4.021 1.00 0.00 N ATOM 113 CA ASP A 158 -7.220 -2.119 2.608 1.00 0.00 C ATOM 114 C ASP A 158 -8.411 -1.294 2.193 1.00 0.00 C ATOM 115 O ASP A 158 -9.503 -1.394 2.780 1.00 0.00 O ATOM 116 CB ASP A 158 -7.385 -3.573 2.184 1.00 0.00 C ATOM 117 CG ASP A 158 -7.817 -3.711 0.745 1.00 0.00 C ATOM 118 OD1 ASP A 158 -7.257 -3.027 -0.133 1.00 0.00 O ATOM 119 OD2 ASP A 158 -8.751 -4.485 0.477 1.00 0.00 O ATOM 0 H ASP A 158 -7.359 -2.783 4.570 1.00 0.00 H new ATOM 0 HA ASP A 158 -6.347 -1.718 2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 158 -6.441 -4.099 2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 158 -8.121 -4.055 2.828 1.00 0.00 H new ATOM 124 N LEU A 159 -8.194 -0.466 1.217 1.00 0.00 N ATOM 125 CA LEU A 159 -9.211 0.414 0.706 1.00 0.00 C ATOM 126 C LEU A 159 -9.579 0.004 -0.712 1.00 0.00 C ATOM 127 O LEU A 159 -10.458 0.602 -1.334 1.00 0.00 O ATOM 128 CB LEU A 159 -8.685 1.858 0.691 1.00 0.00 C ATOM 129 CG LEU A 159 -8.207 2.436 2.031 1.00 0.00 C ATOM 130 CD1 LEU A 159 -7.600 3.809 1.824 1.00 0.00 C ATOM 131 CD2 LEU A 159 -9.352 2.513 3.033 1.00 0.00 C ATOM 0 H LEU A 159 -7.295 -0.378 0.744 1.00 0.00 H new ATOM 0 HA LEU A 159 -10.091 0.350 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -7.857 1.910 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -9.475 2.503 0.305 1.00 0.00 H new ATOM 0 HG LEU A 159 -7.446 1.769 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -7.265 4.207 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -6.750 3.733 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -8.347 4.476 1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -8.986 2.926 3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.139 3.155 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -9.751 1.514 3.207 1.00 0.00 H new ATOM 143 N PHE A 160 -8.917 -1.013 -1.225 1.00 0.00 N ATOM 144 CA PHE A 160 -9.094 -1.395 -2.609 1.00 0.00 C ATOM 145 C PHE A 160 -10.081 -2.529 -2.750 1.00 0.00 C ATOM 146 O PHE A 160 -10.972 -2.491 -3.620 1.00 0.00 O ATOM 147 CB PHE A 160 -7.747 -1.760 -3.234 1.00 0.00 C ATOM 148 CG PHE A 160 -6.744 -0.646 -3.144 1.00 0.00 C ATOM 149 CD1 PHE A 160 -6.741 0.373 -4.076 1.00 0.00 C ATOM 150 CD2 PHE A 160 -5.822 -0.606 -2.108 1.00 0.00 C ATOM 151 CE1 PHE A 160 -5.836 1.407 -3.984 1.00 0.00 C ATOM 152 CE2 PHE A 160 -4.917 0.425 -2.009 1.00 0.00 C ATOM 153 CZ PHE A 160 -4.924 1.436 -2.947 1.00 0.00 C ATOM 0 H PHE A 160 -8.254 -1.588 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 160 -9.506 -0.540 -3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -7.348 -2.644 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -7.897 -2.024 -4.281 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -7.456 0.359 -4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 160 -5.815 -1.394 -1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -5.839 2.195 -4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 160 -4.203 0.443 -1.199 1.00 0.00 H new ATOM 0 HZ PHE A 160 -4.217 2.249 -2.871 1.00 0.00 H new ATOM 163 N GLY A 161 -9.963 -3.514 -1.906 1.00 0.00 N ATOM 164 CA GLY A 161 -10.858 -4.621 -1.966 1.00 0.00 C ATOM 165 C GLY A 161 -12.118 -4.345 -1.196 1.00 0.00 C ATOM 166 O GLY A 161 -12.178 -3.387 -0.396 1.00 0.00 O ATOM 0 H GLY A 161 -9.256 -3.568 -1.172 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -11.104 -4.837 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -10.370 -5.509 -1.563 1.00 0.00 H new ATOM 170 N SER A 162 -13.127 -5.150 -1.420 1.00 0.00 N ATOM 171 CA SER A 162 -14.380 -5.010 -0.700 1.00 0.00 C ATOM 172 C SER A 162 -14.174 -5.589 0.694 1.00 0.00 C ATOM 173 O SER A 162 -14.691 -5.096 1.708 1.00 0.00 O ATOM 174 CB SER A 162 -15.474 -5.746 -1.456 1.00 0.00 C ATOM 175 OG SER A 162 -15.525 -5.284 -2.803 1.00 0.00 O ATOM 0 H SER A 162 -13.110 -5.913 -2.096 1.00 0.00 H new ATOM 0 HA SER A 162 -14.682 -3.966 -0.615 1.00 0.00 H new ATOM 0 HB2 SER A 162 -15.283 -6.819 -1.437 1.00 0.00 H new ATOM 0 HB3 SER A 162 -16.436 -5.585 -0.970 1.00 0.00 H new ATOM 0 HG SER A 162 -16.230 -5.763 -3.286 1.00 0.00 H new ATOM 181 N ASP A 163 -13.354 -6.592 0.719 1.00 0.00 N ATOM 182 CA ASP A 163 -12.908 -7.227 1.907 1.00 0.00 C ATOM 183 C ASP A 163 -11.456 -7.491 1.662 1.00 0.00 C ATOM 184 O ASP A 163 -11.027 -7.597 0.500 1.00 0.00 O ATOM 185 CB ASP A 163 -13.642 -8.556 2.184 1.00 0.00 C ATOM 186 CG ASP A 163 -13.366 -9.101 3.586 1.00 0.00 C ATOM 187 OD1 ASP A 163 -12.224 -9.503 3.891 1.00 0.00 O ATOM 188 OD2 ASP A 163 -14.287 -9.128 4.409 1.00 0.00 O ATOM 0 H ASP A 163 -12.963 -7.004 -0.128 1.00 0.00 H new ATOM 0 HA ASP A 163 -13.100 -6.601 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -14.715 -8.406 2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -13.337 -9.296 1.444 1.00 0.00 H new ATOM 193 N ASN A 164 -10.727 -7.653 2.686 1.00 0.00 N ATOM 194 CA ASN A 164 -9.307 -7.797 2.585 1.00 0.00 C ATOM 195 C ASN A 164 -8.974 -9.239 2.257 1.00 0.00 C ATOM 196 O ASN A 164 -7.953 -9.531 1.647 1.00 0.00 O ATOM 197 CB ASN A 164 -8.638 -7.338 3.883 1.00 0.00 C ATOM 198 CG ASN A 164 -7.111 -7.306 3.843 1.00 0.00 C ATOM 199 OD1 ASN A 164 -6.527 -6.996 2.711 1.00 0.00 O flip ATOM 200 ND2 ASN A 164 -6.465 -7.546 4.859 1.00 0.00 N flip ATOM 0 H ASN A 164 -11.087 -7.692 3.640 1.00 0.00 H new ATOM 0 HA ASN A 164 -8.923 -7.167 1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 164 -9.002 -6.340 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 164 -8.952 -8.000 4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 164 -6.947 -7.784 5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 164 -5.446 -7.507 4.837 1.00 0.00 H new ATOM 207 N GLU A 165 -9.862 -10.145 2.642 1.00 0.00 N ATOM 208 CA GLU A 165 -9.677 -11.545 2.323 1.00 0.00 C ATOM 209 C GLU A 165 -10.198 -11.856 0.919 1.00 0.00 C ATOM 210 O GLU A 165 -9.881 -12.893 0.347 1.00 0.00 O ATOM 211 CB GLU A 165 -10.296 -12.499 3.362 1.00 0.00 C ATOM 212 CG GLU A 165 -11.813 -12.530 3.423 1.00 0.00 C ATOM 213 CD GLU A 165 -12.311 -13.531 4.433 1.00 0.00 C ATOM 214 OE1 GLU A 165 -12.440 -14.737 4.092 1.00 0.00 O ATOM 215 OE2 GLU A 165 -12.575 -13.147 5.580 1.00 0.00 O ATOM 0 H GLU A 165 -10.709 -9.934 3.171 1.00 0.00 H new ATOM 0 HA GLU A 165 -8.602 -11.723 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -9.941 -13.508 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -9.919 -12.224 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -12.187 -11.539 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -12.212 -12.777 2.439 1.00 0.00 H new ATOM 222 N GLU A 166 -10.986 -10.952 0.351 1.00 0.00 N ATOM 223 CA GLU A 166 -11.541 -11.212 -0.956 1.00 0.00 C ATOM 224 C GLU A 166 -10.539 -10.838 -2.036 1.00 0.00 C ATOM 225 O GLU A 166 -10.258 -11.626 -2.936 1.00 0.00 O ATOM 226 CB GLU A 166 -12.975 -10.597 -1.130 1.00 0.00 C ATOM 227 CG GLU A 166 -13.129 -9.088 -1.370 1.00 0.00 C ATOM 228 CD GLU A 166 -12.780 -8.593 -2.770 1.00 0.00 C ATOM 229 OE1 GLU A 166 -12.768 -9.402 -3.728 1.00 0.00 O ATOM 230 OE2 GLU A 166 -12.500 -7.374 -2.919 1.00 0.00 O ATOM 0 H GLU A 166 -11.246 -10.058 0.767 1.00 0.00 H new ATOM 0 HA GLU A 166 -11.712 -12.283 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -13.451 -11.110 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -13.547 -10.845 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -14.161 -8.810 -1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -12.500 -8.560 -0.653 1.00 0.00 H new ATOM 237 N GLU A 167 -9.955 -9.660 -1.930 1.00 0.00 N ATOM 238 CA GLU A 167 -8.946 -9.255 -2.878 1.00 0.00 C ATOM 239 C GLU A 167 -7.567 -9.799 -2.456 1.00 0.00 C ATOM 240 O GLU A 167 -6.535 -9.552 -3.102 1.00 0.00 O ATOM 241 CB GLU A 167 -8.972 -7.751 -3.101 1.00 0.00 C ATOM 242 CG GLU A 167 -8.134 -7.296 -4.284 1.00 0.00 C ATOM 243 CD GLU A 167 -8.466 -5.895 -4.734 1.00 0.00 C ATOM 244 OE1 GLU A 167 -9.443 -5.721 -5.496 1.00 0.00 O ATOM 245 OE2 GLU A 167 -7.766 -4.953 -4.358 1.00 0.00 O ATOM 0 H GLU A 167 -10.162 -8.975 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 167 -9.167 -9.695 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -10.003 -7.433 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -8.614 -7.252 -2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -7.079 -7.346 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -8.284 -7.985 -5.116 1.00 0.00 H new ATOM 252 N ASP A 168 -7.586 -10.612 -1.396 1.00 0.00 N ATOM 253 CA ASP A 168 -6.394 -11.310 -0.872 1.00 0.00 C ATOM 254 C ASP A 168 -5.738 -12.139 -1.962 1.00 0.00 C ATOM 255 O ASP A 168 -4.542 -12.391 -1.923 1.00 0.00 O ATOM 256 CB ASP A 168 -6.750 -12.176 0.338 1.00 0.00 C ATOM 257 CG ASP A 168 -5.577 -12.912 0.961 1.00 0.00 C ATOM 258 OD1 ASP A 168 -4.755 -12.285 1.678 1.00 0.00 O ATOM 259 OD2 ASP A 168 -5.478 -14.130 0.796 1.00 0.00 O ATOM 0 H ASP A 168 -8.435 -10.810 -0.867 1.00 0.00 H new ATOM 0 HA ASP A 168 -5.679 -10.557 -0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 168 -7.209 -11.543 1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 168 -7.500 -12.907 0.036 1.00 0.00 H new ATOM 264 N LYS A 169 -6.543 -12.516 -2.962 1.00 0.00 N ATOM 265 CA LYS A 169 -6.057 -13.152 -4.178 1.00 0.00 C ATOM 266 C LYS A 169 -4.847 -12.390 -4.745 1.00 0.00 C ATOM 267 O LYS A 169 -3.784 -12.964 -4.926 1.00 0.00 O ATOM 268 CB LYS A 169 -7.171 -13.242 -5.241 1.00 0.00 C ATOM 269 CG LYS A 169 -8.036 -11.979 -5.359 1.00 0.00 C ATOM 270 CD LYS A 169 -8.444 -11.673 -6.781 1.00 0.00 C ATOM 271 CE LYS A 169 -7.250 -11.279 -7.628 1.00 0.00 C ATOM 272 NZ LYS A 169 -7.647 -10.726 -8.929 1.00 0.00 N ATOM 0 H LYS A 169 -7.554 -12.385 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 169 -5.745 -14.164 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.716 -13.449 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -7.815 -14.089 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -8.931 -12.100 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -7.486 -11.130 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.929 -12.546 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -9.177 -10.866 -6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -6.653 -10.543 -7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -6.615 -12.151 -7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -6.980 -9.978 -9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -7.638 -11.481 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -8.605 -10.327 -8.859 1.00 0.00 H new ATOM 286 N GLU A 170 -4.990 -11.089 -4.981 1.00 0.00 N ATOM 287 CA GLU A 170 -3.874 -10.319 -5.462 1.00 0.00 C ATOM 288 C GLU A 170 -3.009 -9.816 -4.376 1.00 0.00 C ATOM 289 O GLU A 170 -1.861 -9.544 -4.616 1.00 0.00 O ATOM 290 CB GLU A 170 -4.215 -9.257 -6.491 1.00 0.00 C ATOM 291 CG GLU A 170 -4.003 -9.782 -7.890 1.00 0.00 C ATOM 292 CD GLU A 170 -4.491 -8.868 -8.982 1.00 0.00 C ATOM 293 OE1 GLU A 170 -5.685 -8.955 -9.348 1.00 0.00 O ATOM 294 OE2 GLU A 170 -3.699 -8.074 -9.510 1.00 0.00 O ATOM 0 H GLU A 170 -5.854 -10.564 -4.847 1.00 0.00 H new ATOM 0 HA GLU A 170 -3.281 -11.042 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 170 -5.252 -8.944 -6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 170 -3.595 -8.375 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 170 -2.939 -9.967 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 170 -4.510 -10.742 -7.984 1.00 0.00 H new ATOM 301 N ALA A 171 -3.536 -9.734 -3.171 1.00 0.00 N ATOM 302 CA ALA A 171 -2.710 -9.369 -2.041 1.00 0.00 C ATOM 303 C ALA A 171 -1.573 -10.370 -1.906 1.00 0.00 C ATOM 304 O ALA A 171 -0.460 -9.984 -1.666 1.00 0.00 O ATOM 305 CB ALA A 171 -3.507 -9.293 -0.754 1.00 0.00 C ATOM 0 H ALA A 171 -4.516 -9.912 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 171 -2.306 -8.373 -2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -2.846 -9.016 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -4.293 -8.544 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -3.956 -10.264 -0.546 1.00 0.00 H new ATOM 311 N ALA A 172 -1.880 -11.655 -2.133 1.00 0.00 N ATOM 312 CA ALA A 172 -0.899 -12.741 -2.094 1.00 0.00 C ATOM 313 C ALA A 172 -0.169 -12.909 -3.431 1.00 0.00 C ATOM 314 O ALA A 172 1.037 -13.128 -3.455 1.00 0.00 O ATOM 315 CB ALA A 172 -1.567 -14.046 -1.691 1.00 0.00 C ATOM 0 H ALA A 172 -2.826 -11.969 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 172 -0.152 -12.474 -1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -0.824 -14.843 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -2.013 -13.936 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -2.343 -14.296 -2.414 1.00 0.00 H new ATOM 321 N GLN A 173 -0.889 -12.823 -4.543 1.00 0.00 N ATOM 322 CA GLN A 173 -0.266 -12.955 -5.854 1.00 0.00 C ATOM 323 C GLN A 173 0.742 -11.862 -6.138 1.00 0.00 C ATOM 324 O GLN A 173 1.883 -12.156 -6.481 1.00 0.00 O ATOM 325 CB GLN A 173 -1.286 -13.060 -6.941 1.00 0.00 C ATOM 326 CG GLN A 173 -1.942 -14.424 -7.000 1.00 0.00 C ATOM 327 CD GLN A 173 -3.020 -14.510 -8.039 1.00 0.00 C ATOM 328 OE1 GLN A 173 -3.686 -13.426 -8.275 1.00 0.00 O flip ATOM 329 NE2 GLN A 173 -3.263 -15.557 -8.613 1.00 0.00 N flip ATOM 0 H GLN A 173 -1.896 -12.664 -4.564 1.00 0.00 H new ATOM 0 HA GLN A 173 0.294 -13.890 -5.834 1.00 0.00 H new ATOM 0 HB2 GLN A 173 -2.052 -12.300 -6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 173 -0.812 -12.848 -7.899 1.00 0.00 H new ATOM 0 HG2 GLN A 173 -1.183 -15.178 -7.209 1.00 0.00 H new ATOM 0 HG3 GLN A 173 -2.366 -14.660 -6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 173 -2.718 -16.393 -8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 173 -4.012 -15.598 -9.304 1.00 0.00 H new ATOM 338 N LEU A 174 0.333 -10.615 -5.981 1.00 0.00 N ATOM 339 CA LEU A 174 1.252 -9.490 -6.138 1.00 0.00 C ATOM 340 C LEU A 174 2.368 -9.589 -5.127 1.00 0.00 C ATOM 341 O LEU A 174 3.520 -9.376 -5.450 1.00 0.00 O ATOM 342 CB LEU A 174 0.513 -8.185 -5.956 1.00 0.00 C ATOM 343 CG LEU A 174 -0.593 -7.933 -6.963 1.00 0.00 C ATOM 344 CD1 LEU A 174 -1.358 -6.671 -6.613 1.00 0.00 C ATOM 345 CD2 LEU A 174 -0.023 -7.822 -8.360 1.00 0.00 C ATOM 0 H LEU A 174 -0.624 -10.352 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 174 1.675 -9.522 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.084 -8.163 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 174 1.231 -7.367 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 174 -1.281 -8.778 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.147 -6.508 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -1.801 -6.777 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -0.677 -5.820 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -0.831 -7.641 -9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 174 0.686 -6.995 -8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 174 0.487 -8.750 -8.620 1.00 0.00 H new ATOM 357 N ARG A 175 1.996 -9.926 -3.908 1.00 0.00 N ATOM 358 CA ARG A 175 2.951 -10.162 -2.797 1.00 0.00 C ATOM 359 C ARG A 175 4.087 -11.072 -3.206 1.00 0.00 C ATOM 360 O ARG A 175 5.245 -10.718 -3.039 1.00 0.00 O ATOM 361 CB ARG A 175 2.228 -10.822 -1.656 1.00 0.00 C ATOM 362 CG ARG A 175 3.054 -11.275 -0.473 1.00 0.00 C ATOM 363 CD ARG A 175 2.159 -12.093 0.419 1.00 0.00 C ATOM 364 NE ARG A 175 2.834 -12.663 1.593 1.00 0.00 N ATOM 365 CZ ARG A 175 2.185 -13.225 2.628 1.00 0.00 C ATOM 366 NH1 ARG A 175 0.872 -13.050 2.760 1.00 0.00 N ATOM 367 NH2 ARG A 175 2.854 -13.895 3.562 1.00 0.00 N ATOM 0 H ARG A 175 1.020 -10.049 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 175 3.361 -9.193 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 175 1.471 -10.128 -1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 175 1.700 -11.691 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 175 3.907 -11.866 -0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 175 3.452 -10.416 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 175 1.333 -11.468 0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 175 1.726 -12.904 -0.166 1.00 0.00 H new ATOM 0 HE ARG A 175 3.853 -12.631 1.625 1.00 0.00 H new ATOM 0 HH11 ARG A 175 0.361 -12.491 2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 175 0.377 -13.475 3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 175 3.868 -13.986 3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 175 2.353 -14.318 4.344 1.00 0.00 H new ATOM 381 N GLU A 176 3.751 -12.239 -3.754 1.00 0.00 N ATOM 382 CA GLU A 176 4.754 -13.225 -4.092 1.00 0.00 C ATOM 383 C GLU A 176 5.698 -12.678 -5.163 1.00 0.00 C ATOM 384 O GLU A 176 6.899 -12.874 -5.094 1.00 0.00 O ATOM 385 CB GLU A 176 4.101 -14.600 -4.442 1.00 0.00 C ATOM 386 CG GLU A 176 3.518 -14.783 -5.854 1.00 0.00 C ATOM 387 CD GLU A 176 4.536 -15.303 -6.874 1.00 0.00 C ATOM 388 OE1 GLU A 176 5.231 -14.521 -7.509 1.00 0.00 O ATOM 389 OE2 GLU A 176 4.626 -16.529 -7.069 1.00 0.00 O ATOM 0 H GLU A 176 2.793 -12.516 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 176 5.377 -13.426 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 176 4.851 -15.375 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 176 3.301 -14.783 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 176 2.679 -15.477 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 176 3.123 -13.829 -6.202 1.00 0.00 H new ATOM 396 N GLU A 177 5.143 -11.913 -6.087 1.00 0.00 N ATOM 397 CA GLU A 177 5.908 -11.278 -7.144 1.00 0.00 C ATOM 398 C GLU A 177 6.836 -10.211 -6.546 1.00 0.00 C ATOM 399 O GLU A 177 8.026 -10.124 -6.875 1.00 0.00 O ATOM 400 CB GLU A 177 4.942 -10.652 -8.172 1.00 0.00 C ATOM 401 CG GLU A 177 4.092 -11.679 -8.921 1.00 0.00 C ATOM 402 CD GLU A 177 3.063 -11.068 -9.855 1.00 0.00 C ATOM 403 OE1 GLU A 177 3.442 -10.239 -10.727 1.00 0.00 O ATOM 404 OE2 GLU A 177 1.861 -11.446 -9.780 1.00 0.00 O ATOM 0 H GLU A 177 4.143 -11.714 -6.124 1.00 0.00 H new ATOM 0 HA GLU A 177 6.523 -12.021 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 177 4.282 -9.953 -7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 177 5.519 -10.074 -8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 177 4.750 -12.328 -9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 177 3.579 -12.309 -8.195 1.00 0.00 H new ATOM 411 N ARG A 178 6.291 -9.453 -5.622 1.00 0.00 N ATOM 412 CA ARG A 178 7.001 -8.368 -4.978 1.00 0.00 C ATOM 413 C ARG A 178 8.074 -8.860 -4.000 1.00 0.00 C ATOM 414 O ARG A 178 9.129 -8.244 -3.892 1.00 0.00 O ATOM 415 CB ARG A 178 6.017 -7.408 -4.301 1.00 0.00 C ATOM 416 CG ARG A 178 5.111 -6.676 -5.287 1.00 0.00 C ATOM 417 CD ARG A 178 4.042 -5.874 -4.574 1.00 0.00 C ATOM 418 NE ARG A 178 3.189 -5.125 -5.511 1.00 0.00 N ATOM 419 CZ ARG A 178 2.030 -4.535 -5.188 1.00 0.00 C ATOM 420 NH1 ARG A 178 1.450 -4.788 -4.021 1.00 0.00 N ATOM 421 NH2 ARG A 178 1.421 -3.741 -6.057 1.00 0.00 N ATOM 0 H ARG A 178 5.333 -9.572 -5.292 1.00 0.00 H new ATOM 0 HA ARG A 178 7.532 -7.823 -5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 178 5.400 -7.968 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 178 6.577 -6.675 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 178 5.711 -6.011 -5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 178 4.640 -7.398 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 178 3.423 -6.546 -3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 178 4.514 -5.178 -3.880 1.00 0.00 H new ATOM 0 HE ARG A 178 3.504 -5.049 -6.478 1.00 0.00 H new ATOM 0 HH11 ARG A 178 1.887 -5.435 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 178 0.568 -4.336 -3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 178 1.834 -3.577 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 178 0.539 -3.294 -5.808 1.00 0.00 H new ATOM 435 N LEU A 179 7.833 -9.974 -3.309 1.00 0.00 N ATOM 436 CA LEU A 179 8.833 -10.503 -2.374 1.00 0.00 C ATOM 437 C LEU A 179 10.044 -11.060 -3.113 1.00 0.00 C ATOM 438 O LEU A 179 11.149 -11.136 -2.554 1.00 0.00 O ATOM 439 CB LEU A 179 8.236 -11.502 -1.334 1.00 0.00 C ATOM 440 CG LEU A 179 7.525 -12.772 -1.846 1.00 0.00 C ATOM 441 CD1 LEU A 179 8.496 -13.814 -2.395 1.00 0.00 C ATOM 442 CD2 LEU A 179 6.644 -13.372 -0.764 1.00 0.00 C ATOM 0 H LEU A 179 6.974 -10.520 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 179 9.185 -9.660 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 179 9.047 -11.819 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 179 7.525 -10.951 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 179 6.895 -12.462 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.938 -14.685 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 179 9.055 -13.387 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 179 9.189 -14.115 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 179 6.153 -14.266 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.256 -13.636 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.890 -12.645 -0.464 1.00 0.00 H new ATOM 454 N ARG A 180 9.834 -11.435 -4.367 1.00 0.00 N ATOM 455 CA ARG A 180 10.919 -11.869 -5.221 1.00 0.00 C ATOM 456 C ARG A 180 11.815 -10.689 -5.471 1.00 0.00 C ATOM 457 O ARG A 180 12.977 -10.702 -5.123 1.00 0.00 O ATOM 458 CB ARG A 180 10.397 -12.379 -6.553 1.00 0.00 C ATOM 459 CG ARG A 180 9.469 -13.550 -6.443 1.00 0.00 C ATOM 460 CD ARG A 180 8.931 -13.923 -7.793 1.00 0.00 C ATOM 461 NE ARG A 180 7.929 -14.975 -7.710 1.00 0.00 N ATOM 462 CZ ARG A 180 8.131 -16.247 -8.024 1.00 0.00 C ATOM 463 NH1 ARG A 180 9.348 -16.670 -8.405 1.00 0.00 N ATOM 464 NH2 ARG A 180 7.124 -17.101 -7.948 1.00 0.00 N ATOM 0 H ARG A 180 8.917 -11.446 -4.813 1.00 0.00 H new ATOM 0 HA ARG A 180 11.457 -12.680 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 180 9.879 -11.566 -7.062 1.00 0.00 H new ATOM 0 HB3 ARG A 180 11.244 -12.659 -7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 180 9.996 -14.399 -6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.646 -13.307 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 180 8.494 -13.043 -8.265 1.00 0.00 H new ATOM 0 HD3 ARG A 180 9.751 -14.253 -8.431 1.00 0.00 H new ATOM 0 HE ARG A 180 6.998 -14.713 -7.385 1.00 0.00 H new ATOM 0 HH11 ARG A 180 10.125 -16.011 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 180 9.495 -17.650 -8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 180 6.203 -16.779 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 180 7.268 -18.082 -8.187 1.00 0.00 H new ATOM 478 N GLN A 181 11.216 -9.625 -5.985 1.00 0.00 N ATOM 479 CA GLN A 181 11.921 -8.396 -6.323 1.00 0.00 C ATOM 480 C GLN A 181 12.528 -7.736 -5.088 1.00 0.00 C ATOM 481 O GLN A 181 13.509 -6.992 -5.180 1.00 0.00 O ATOM 482 CB GLN A 181 10.981 -7.430 -7.043 1.00 0.00 C ATOM 483 CG GLN A 181 10.408 -8.000 -8.321 1.00 0.00 C ATOM 484 CD GLN A 181 11.488 -8.361 -9.315 1.00 0.00 C ATOM 485 OE1 GLN A 181 12.550 -7.741 -9.362 1.00 0.00 O ATOM 486 NE2 GLN A 181 11.245 -9.363 -10.093 1.00 0.00 N ATOM 0 H GLN A 181 10.216 -9.590 -6.182 1.00 0.00 H new ATOM 0 HA GLN A 181 12.743 -8.655 -6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 181 10.164 -7.162 -6.374 1.00 0.00 H new ATOM 0 HB3 GLN A 181 11.520 -6.511 -7.272 1.00 0.00 H new ATOM 0 HG2 GLN A 181 9.817 -8.886 -8.090 1.00 0.00 H new ATOM 0 HG3 GLN A 181 9.730 -7.274 -8.770 1.00 0.00 H new ATOM 0 HE21 GLN A 181 10.354 -9.855 -10.028 1.00 0.00 H new ATOM 0 HE22 GLN A 181 11.944 -9.662 -10.773 1.00 0.00 H new ATOM 495 N TYR A 182 11.939 -8.013 -3.946 1.00 0.00 N ATOM 496 CA TYR A 182 12.417 -7.530 -2.667 1.00 0.00 C ATOM 497 C TYR A 182 13.812 -8.096 -2.434 1.00 0.00 C ATOM 498 O TYR A 182 14.766 -7.358 -2.186 1.00 0.00 O ATOM 499 CB TYR A 182 11.450 -8.008 -1.561 1.00 0.00 C ATOM 500 CG TYR A 182 11.669 -7.438 -0.168 1.00 0.00 C ATOM 501 CD1 TYR A 182 12.595 -7.992 0.712 1.00 0.00 C ATOM 502 CD2 TYR A 182 10.914 -6.358 0.278 1.00 0.00 C ATOM 503 CE1 TYR A 182 12.763 -7.483 1.988 1.00 0.00 C ATOM 504 CE2 TYR A 182 11.077 -5.845 1.546 1.00 0.00 C ATOM 505 CZ TYR A 182 12.000 -6.406 2.399 1.00 0.00 C ATOM 506 OH TYR A 182 12.163 -5.888 3.674 1.00 0.00 O ATOM 0 H TYR A 182 11.100 -8.590 -3.877 1.00 0.00 H new ATOM 0 HA TYR A 182 12.460 -6.441 -2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 182 10.433 -7.767 -1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 182 11.515 -9.094 -1.498 1.00 0.00 H new ATOM 0 HD1 TYR A 182 13.192 -8.833 0.393 1.00 0.00 H new ATOM 0 HD2 TYR A 182 10.185 -5.913 -0.383 1.00 0.00 H new ATOM 0 HE1 TYR A 182 13.486 -7.924 2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 182 10.482 -5.004 1.870 1.00 0.00 H new ATOM 0 HH TYR A 182 11.551 -5.133 3.801 1.00 0.00 H new ATOM 516 N ALA A 183 13.923 -9.396 -2.597 1.00 0.00 N ATOM 517 CA ALA A 183 15.159 -10.096 -2.373 1.00 0.00 C ATOM 518 C ALA A 183 16.106 -9.957 -3.565 1.00 0.00 C ATOM 519 O ALA A 183 17.238 -9.511 -3.411 1.00 0.00 O ATOM 520 CB ALA A 183 14.886 -11.557 -2.072 1.00 0.00 C ATOM 0 H ALA A 183 13.152 -9.996 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 183 15.650 -9.645 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 183 15.829 -12.076 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 183 14.265 -11.635 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 183 14.367 -12.011 -2.916 1.00 0.00 H new ATOM 526 N GLU A 184 15.615 -10.294 -4.747 1.00 0.00 N ATOM 527 CA GLU A 184 16.420 -10.298 -5.963 1.00 0.00 C ATOM 528 C GLU A 184 17.024 -8.938 -6.255 1.00 0.00 C ATOM 529 O GLU A 184 18.200 -8.834 -6.576 1.00 0.00 O ATOM 530 CB GLU A 184 15.601 -10.755 -7.159 1.00 0.00 C ATOM 531 CG GLU A 184 15.060 -12.158 -7.023 1.00 0.00 C ATOM 532 CD GLU A 184 14.189 -12.560 -8.183 1.00 0.00 C ATOM 533 OE1 GLU A 184 13.237 -11.834 -8.511 1.00 0.00 O ATOM 534 OE2 GLU A 184 14.469 -13.589 -8.837 1.00 0.00 O ATOM 0 H GLU A 184 14.645 -10.573 -4.893 1.00 0.00 H new ATOM 0 HA GLU A 184 17.234 -11.002 -5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 184 14.768 -10.066 -7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 184 16.220 -10.699 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 184 15.892 -12.857 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 184 14.486 -12.234 -6.100 1.00 0.00 H new ATOM 541 N LYS A 185 16.229 -7.902 -6.192 1.00 0.00 N ATOM 542 CA LYS A 185 16.754 -6.593 -6.468 1.00 0.00 C ATOM 543 C LYS A 185 17.437 -5.965 -5.254 1.00 0.00 C ATOM 544 O LYS A 185 18.641 -5.784 -5.249 1.00 0.00 O ATOM 545 CB LYS A 185 15.694 -5.656 -7.050 1.00 0.00 C ATOM 546 CG LYS A 185 15.108 -6.088 -8.397 1.00 0.00 C ATOM 547 CD LYS A 185 16.178 -6.234 -9.471 1.00 0.00 C ATOM 548 CE LYS A 185 15.569 -6.419 -10.860 1.00 0.00 C ATOM 549 NZ LYS A 185 14.706 -7.616 -10.982 1.00 0.00 N ATOM 0 H LYS A 185 15.237 -7.937 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 185 17.521 -6.734 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 185 14.880 -5.564 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 185 16.132 -4.665 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 185 14.585 -7.037 -8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 185 14.368 -5.356 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 185 16.817 -5.351 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 185 16.814 -7.088 -9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 185 14.984 -5.534 -11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 185 16.373 -6.487 -11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 14.578 -7.851 -11.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 15.153 -8.418 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 13.779 -7.421 -10.552 1.00 0.00 H new ATOM 563 N LYS A 186 16.688 -5.737 -4.186 1.00 0.00 N ATOM 564 CA LYS A 186 17.217 -4.936 -3.081 1.00 0.00 C ATOM 565 C LYS A 186 18.047 -5.701 -2.064 1.00 0.00 C ATOM 566 O LYS A 186 18.721 -5.087 -1.235 1.00 0.00 O ATOM 567 CB LYS A 186 16.145 -4.079 -2.380 1.00 0.00 C ATOM 568 CG LYS A 186 15.608 -2.906 -3.212 1.00 0.00 C ATOM 569 CD LYS A 186 14.556 -3.305 -4.241 1.00 0.00 C ATOM 570 CE LYS A 186 13.248 -3.712 -3.571 1.00 0.00 C ATOM 571 NZ LYS A 186 12.170 -3.919 -4.547 1.00 0.00 N ATOM 0 H LYS A 186 15.737 -6.082 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 186 17.912 -4.263 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 186 15.309 -4.723 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 186 16.564 -3.686 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 186 15.180 -2.163 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 186 16.441 -2.427 -3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 186 14.375 -2.472 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 186 14.930 -4.132 -4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 186 13.402 -4.629 -3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 186 12.950 -2.942 -2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 11.299 -4.194 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 12.004 -3.037 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 12.442 -4.672 -5.211 1.00 0.00 H new ATOM 585 N ALA A 187 18.010 -7.000 -2.097 1.00 0.00 N ATOM 586 CA ALA A 187 18.804 -7.762 -1.156 1.00 0.00 C ATOM 587 C ALA A 187 19.992 -8.410 -1.846 1.00 0.00 C ATOM 588 O ALA A 187 20.835 -9.042 -1.212 1.00 0.00 O ATOM 589 CB ALA A 187 17.957 -8.783 -0.429 1.00 0.00 C ATOM 0 H ALA A 187 17.453 -7.553 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 187 19.195 -7.072 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 187 18.580 -9.340 0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 187 17.163 -8.274 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 187 17.517 -9.471 -1.151 1.00 0.00 H new ATOM 595 N LYS A 188 20.055 -8.279 -3.142 1.00 0.00 N ATOM 596 CA LYS A 188 21.188 -8.784 -3.883 1.00 0.00 C ATOM 597 C LYS A 188 22.036 -7.629 -4.356 1.00 0.00 C ATOM 598 O LYS A 188 23.250 -7.743 -4.477 1.00 0.00 O ATOM 599 CB LYS A 188 20.753 -9.690 -5.036 1.00 0.00 C ATOM 600 CG LYS A 188 20.084 -11.017 -4.621 1.00 0.00 C ATOM 601 CD LYS A 188 21.080 -12.159 -4.290 1.00 0.00 C ATOM 602 CE LYS A 188 21.954 -11.933 -3.043 1.00 0.00 C ATOM 603 NZ LYS A 188 21.164 -11.771 -1.795 1.00 0.00 N ATOM 0 H LYS A 188 19.338 -7.828 -3.711 1.00 0.00 H new ATOM 0 HA LYS A 188 21.791 -9.407 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 188 20.060 -9.136 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 188 21.627 -9.919 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 188 19.455 -10.836 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 188 19.427 -11.346 -5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 188 20.516 -13.082 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 188 21.734 -12.308 -5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 188 22.635 -12.776 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 188 22.568 -11.045 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 21.630 -12.285 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 21.101 -10.762 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 20.207 -12.153 -1.938 1.00 0.00 H new ATOM 617 N LYS A 189 21.400 -6.520 -4.618 1.00 0.00 N ATOM 618 CA LYS A 189 22.099 -5.315 -4.943 1.00 0.00 C ATOM 619 C LYS A 189 22.064 -4.439 -3.707 1.00 0.00 C ATOM 620 O LYS A 189 21.051 -4.437 -2.992 1.00 0.00 O ATOM 621 CB LYS A 189 21.439 -4.595 -6.117 1.00 0.00 C ATOM 622 CG LYS A 189 21.411 -5.404 -7.394 1.00 0.00 C ATOM 623 CD LYS A 189 20.722 -4.645 -8.508 1.00 0.00 C ATOM 624 CE LYS A 189 20.713 -5.445 -9.794 1.00 0.00 C ATOM 625 NZ LYS A 189 22.071 -5.760 -10.261 1.00 0.00 N ATOM 0 H LYS A 189 20.384 -6.430 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 189 23.123 -5.540 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 189 20.417 -4.333 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 189 21.969 -3.661 -6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 189 22.430 -5.650 -7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 189 20.894 -6.347 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 189 19.698 -4.413 -8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 189 21.230 -3.695 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 189 20.160 -6.371 -9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 189 20.186 -4.884 -10.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 22.035 -6.060 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 22.672 -4.916 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 22.468 -6.527 -9.682 1.00 0.00 H new ATOM 639 N PRO A 190 23.155 -3.743 -3.377 1.00 0.00 N ATOM 640 CA PRO A 190 23.202 -2.888 -2.200 1.00 0.00 C ATOM 641 C PRO A 190 22.303 -1.660 -2.322 1.00 0.00 C ATOM 642 O PRO A 190 22.717 -0.598 -2.820 1.00 0.00 O ATOM 643 CB PRO A 190 24.674 -2.472 -2.078 1.00 0.00 C ATOM 644 CG PRO A 190 25.414 -3.349 -3.033 1.00 0.00 C ATOM 645 CD PRO A 190 24.435 -3.749 -4.093 1.00 0.00 C ATOM 0 HA PRO A 190 22.835 -3.418 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 190 24.807 -1.419 -2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 190 25.037 -2.606 -1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 190 26.261 -2.819 -3.468 1.00 0.00 H new ATOM 0 HG3 PRO A 190 25.814 -4.226 -2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 190 24.434 -3.048 -4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 190 24.664 -4.733 -4.503 1.00 0.00 H new ATOM 653 N ALA A 191 21.054 -1.827 -1.953 1.00 0.00 N ATOM 654 CA ALA A 191 20.117 -0.725 -1.919 1.00 0.00 C ATOM 655 C ALA A 191 20.327 0.015 -0.623 1.00 0.00 C ATOM 656 O ALA A 191 20.159 1.230 -0.537 1.00 0.00 O ATOM 657 CB ALA A 191 18.692 -1.230 -2.023 1.00 0.00 C ATOM 0 H ALA A 191 20.659 -2.724 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 191 20.286 -0.059 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 191 18.004 -0.385 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 191 18.565 -1.771 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 191 18.481 -1.898 -1.188 1.00 0.00 H new ATOM 663 N LEU A 192 20.731 -0.739 0.366 1.00 0.00 N ATOM 664 CA LEU A 192 21.058 -0.245 1.663 1.00 0.00 C ATOM 665 C LEU A 192 22.431 -0.775 2.014 1.00 0.00 C ATOM 666 O LEU A 192 22.540 -1.928 2.482 1.00 0.00 O ATOM 667 CB LEU A 192 20.020 -0.701 2.708 1.00 0.00 C ATOM 668 CG LEU A 192 18.577 -0.221 2.503 1.00 0.00 C ATOM 669 CD1 LEU A 192 17.664 -0.820 3.561 1.00 0.00 C ATOM 670 CD2 LEU A 192 18.504 1.300 2.552 1.00 0.00 C ATOM 671 OXT LEU A 192 23.414 -0.065 1.815 1.00 0.00 O ATOM 0 H LEU A 192 20.843 -1.749 0.279 1.00 0.00 H new ATOM 0 HA LEU A 192 21.053 0.845 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 192 20.016 -1.791 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 192 20.354 -0.364 3.689 1.00 0.00 H new ATOM 0 HG LEU A 192 18.244 -0.554 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 192 16.644 -0.470 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 192 17.690 -1.907 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 192 18.003 -0.513 4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 192 17.472 1.620 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 192 18.857 1.650 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 192 19.130 1.720 1.765 1.00 0.00 H new TER 683 LEU A 192