USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 381 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 166 MET CE :methyl -156:sc= -5.69! (180deg=-6.54!) USER MOD Set 1.2: A 189 ASN : amide:sc= -2.31 K(o=-8,f=-4) USER MOD Single : A 156 THR OG1 : rot -40:sc= 0.211 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 165 THR OG1 : rot 65:sc= 0.5! USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 MET CE :methyl -144:sc= -10.4! (180deg=-13.4!) USER MOD Single : A 172 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 173 MET CE :methyl 135:sc= -7.66! (180deg=-10.8!) USER MOD Single : A 175 TYR OH : rot 180:sc= -0.278 USER MOD Single : A 187 SER OG : rot 64:sc= -1.25! USER MOD Single : A 188 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 ASN : amide:sc= -6.59! C(o=-6.6!,f=-15!) USER MOD Single : A 192 HIS : no HD1:sc= 0 X(o=0,f=-0.00052) USER MOD Single : A 197 TYR OH : rot 30:sc= -1.31! USER MOD Single : A 200 THR OG1 : rot 180:sc= -0.779 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 156 -11.303 13.236 8.835 1.00 0.00 N ATOM 2 CA THR A 156 -12.642 13.667 8.352 1.00 0.00 C ATOM 3 C THR A 156 -12.664 13.791 6.831 1.00 0.00 C ATOM 4 O THR A 156 -11.620 13.931 6.196 1.00 0.00 O ATOM 5 CB THR A 156 -12.982 15.012 8.996 1.00 0.00 C ATOM 6 OG1 THR A 156 -11.937 15.944 8.795 1.00 0.00 O ATOM 7 CG2 THR A 156 -13.230 14.915 10.486 1.00 0.00 C ATOM 0 HA THR A 156 -13.383 12.918 8.632 1.00 0.00 H new ATOM 0 HB THR A 156 -13.901 15.340 8.510 1.00 0.00 H new ATOM 0 HG1 THR A 156 -11.073 15.494 8.901 1.00 0.00 H new ATOM 0 HG21 THR A 156 -13.466 15.903 10.881 1.00 0.00 H new ATOM 0 HG22 THR A 156 -14.066 14.241 10.673 1.00 0.00 H new ATOM 0 HG23 THR A 156 -12.337 14.531 10.979 1.00 0.00 H new ATOM 17 N LEU A 157 -13.862 13.738 6.257 1.00 0.00 N ATOM 18 CA LEU A 157 -14.020 13.843 4.813 1.00 0.00 C ATOM 19 C LEU A 157 -13.361 12.663 4.106 1.00 0.00 C ATOM 20 O LEU A 157 -12.180 12.386 4.313 1.00 0.00 O ATOM 21 CB LEU A 157 -13.420 15.156 4.307 1.00 0.00 C ATOM 22 CG LEU A 157 -14.223 16.412 4.652 1.00 0.00 C ATOM 23 CD1 LEU A 157 -15.712 16.155 4.489 1.00 0.00 C ATOM 24 CD2 LEU A 157 -13.911 16.870 6.068 1.00 0.00 C ATOM 0 H LEU A 157 -14.736 13.623 6.770 1.00 0.00 H new ATOM 0 HA LEU A 157 -15.086 13.829 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -12.416 15.261 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -13.316 15.096 3.224 1.00 0.00 H new ATOM 0 HG LEU A 157 -13.935 17.206 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 157 -16.267 17.059 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 157 -15.922 15.874 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 157 -16.017 15.347 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 157 -14.490 17.764 6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 157 -14.171 16.079 6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 157 -12.848 17.095 6.152 1.00 0.00 H new ATOM 36 N VAL A 158 -14.131 11.977 3.267 1.00 0.00 N ATOM 37 CA VAL A 158 -13.627 10.830 2.524 1.00 0.00 C ATOM 38 C VAL A 158 -12.593 10.054 3.338 1.00 0.00 C ATOM 39 O VAL A 158 -11.413 10.401 3.353 1.00 0.00 O ATOM 40 CB VAL A 158 -12.999 11.268 1.187 1.00 0.00 C ATOM 41 CG1 VAL A 158 -12.157 10.151 0.588 1.00 0.00 C ATOM 42 CG2 VAL A 158 -14.081 11.707 0.212 1.00 0.00 C ATOM 0 H VAL A 158 -15.110 12.198 3.085 1.00 0.00 H new ATOM 0 HA VAL A 158 -14.478 10.180 2.322 1.00 0.00 H new ATOM 0 HB VAL A 158 -12.342 12.116 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -11.725 10.486 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -11.357 9.887 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -12.785 9.278 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -13.621 12.013 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -14.764 10.877 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -14.634 12.545 0.636 1.00 0.00 H new ATOM 52 N THR A 159 -13.048 9.003 4.011 1.00 0.00 N ATOM 53 CA THR A 159 -12.163 8.178 4.825 1.00 0.00 C ATOM 54 C THR A 159 -10.947 7.728 4.023 1.00 0.00 C ATOM 55 O THR A 159 -9.822 8.155 4.288 1.00 0.00 O ATOM 56 CB THR A 159 -12.918 6.958 5.357 1.00 0.00 C ATOM 57 OG1 THR A 159 -13.738 7.316 6.454 1.00 0.00 O ATOM 58 CG2 THR A 159 -12.006 5.838 5.812 1.00 0.00 C ATOM 0 H THR A 159 -14.023 8.703 4.009 1.00 0.00 H new ATOM 0 HA THR A 159 -11.817 8.779 5.666 1.00 0.00 H new ATOM 0 HB THR A 159 -13.514 6.600 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 159 -14.214 6.523 6.779 1.00 0.00 H new ATOM 0 HG21 THR A 159 -12.607 5.005 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 159 -11.394 5.504 4.974 1.00 0.00 H new ATOM 0 HG23 THR A 159 -11.360 6.198 6.613 1.00 0.00 H new ATOM 66 N GLY A 160 -11.178 6.862 3.042 1.00 0.00 N ATOM 67 CA GLY A 160 -10.093 6.367 2.218 1.00 0.00 C ATOM 68 C GLY A 160 -10.346 4.960 1.711 1.00 0.00 C ATOM 69 O GLY A 160 -9.456 4.110 1.748 1.00 0.00 O ATOM 0 H GLY A 160 -12.099 6.494 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -9.951 7.036 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -9.168 6.382 2.794 1.00 0.00 H new ATOM 73 N SER A 161 -11.565 4.715 1.242 1.00 0.00 N ATOM 74 CA SER A 161 -11.938 3.402 0.729 1.00 0.00 C ATOM 75 C SER A 161 -10.868 2.859 -0.215 1.00 0.00 C ATOM 76 O SER A 161 -10.338 1.770 -0.004 1.00 0.00 O ATOM 77 CB SER A 161 -13.281 3.478 0.003 1.00 0.00 C ATOM 78 OG SER A 161 -13.323 4.585 -0.880 1.00 0.00 O ATOM 0 H SER A 161 -12.312 5.409 1.207 1.00 0.00 H new ATOM 0 HA SER A 161 -12.027 2.722 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 161 -13.448 2.557 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 161 -14.087 3.560 0.732 1.00 0.00 H new ATOM 0 HG SER A 161 -14.192 4.609 -1.333 1.00 0.00 H new ATOM 84 N GLU A 162 -10.558 3.625 -1.254 1.00 0.00 N ATOM 85 CA GLU A 162 -9.553 3.220 -2.231 1.00 0.00 C ATOM 86 C GLU A 162 -8.256 2.802 -1.545 1.00 0.00 C ATOM 87 O GLU A 162 -7.652 1.792 -1.904 1.00 0.00 O ATOM 88 CB GLU A 162 -9.278 4.360 -3.213 1.00 0.00 C ATOM 89 CG GLU A 162 -9.300 3.928 -4.669 1.00 0.00 C ATOM 90 CD GLU A 162 -8.830 5.020 -5.608 1.00 0.00 C ATOM 91 OE1 GLU A 162 -8.991 6.210 -5.263 1.00 0.00 O ATOM 92 OE2 GLU A 162 -8.300 4.686 -6.688 1.00 0.00 O ATOM 0 H GLU A 162 -10.988 4.531 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 162 -9.944 2.362 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -10.021 5.144 -3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -8.305 4.796 -2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -8.666 3.050 -4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -10.313 3.631 -4.941 1.00 0.00 H new ATOM 99 N TYR A 163 -7.836 3.587 -0.559 1.00 0.00 N ATOM 100 CA TYR A 163 -6.610 3.306 0.182 1.00 0.00 C ATOM 101 C TYR A 163 -6.619 1.892 0.732 1.00 0.00 C ATOM 102 O TYR A 163 -5.780 1.065 0.371 1.00 0.00 O ATOM 103 CB TYR A 163 -6.466 4.287 1.341 1.00 0.00 C ATOM 104 CG TYR A 163 -5.040 4.627 1.693 1.00 0.00 C ATOM 105 CD1 TYR A 163 -4.113 4.926 0.709 1.00 0.00 C ATOM 106 CD2 TYR A 163 -4.627 4.651 3.017 1.00 0.00 C ATOM 107 CE1 TYR A 163 -2.808 5.239 1.034 1.00 0.00 C ATOM 108 CE2 TYR A 163 -3.327 4.963 3.350 1.00 0.00 C ATOM 109 CZ TYR A 163 -2.419 5.256 2.356 1.00 0.00 C ATOM 110 OH TYR A 163 -1.120 5.568 2.684 1.00 0.00 O ATOM 0 H TYR A 163 -8.328 4.426 -0.253 1.00 0.00 H new ATOM 0 HA TYR A 163 -5.771 3.414 -0.505 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -6.995 5.207 1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -6.955 3.867 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -4.415 4.914 -0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -5.336 4.422 3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -2.095 5.469 0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -3.021 4.978 4.386 1.00 0.00 H new ATOM 0 HH TYR A 163 -1.012 5.536 3.657 1.00 0.00 H new ATOM 120 N GLU A 164 -7.564 1.627 1.621 1.00 0.00 N ATOM 121 CA GLU A 164 -7.682 0.320 2.240 1.00 0.00 C ATOM 122 C GLU A 164 -8.006 -0.747 1.201 1.00 0.00 C ATOM 123 O GLU A 164 -7.836 -1.939 1.452 1.00 0.00 O ATOM 124 CB GLU A 164 -8.762 0.345 3.322 1.00 0.00 C ATOM 125 CG GLU A 164 -8.223 0.645 4.709 1.00 0.00 C ATOM 126 CD GLU A 164 -8.923 -0.154 5.791 1.00 0.00 C ATOM 127 OE1 GLU A 164 -9.155 -1.363 5.580 1.00 0.00 O ATOM 128 OE2 GLU A 164 -9.238 0.430 6.848 1.00 0.00 O ATOM 0 H GLU A 164 -8.262 2.304 1.929 1.00 0.00 H new ATOM 0 HA GLU A 164 -6.725 0.072 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -9.509 1.095 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.270 -0.619 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -7.155 0.427 4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -8.337 1.709 4.917 1.00 0.00 H new ATOM 135 N THR A 165 -8.463 -0.312 0.030 1.00 0.00 N ATOM 136 CA THR A 165 -8.791 -1.241 -1.047 1.00 0.00 C ATOM 137 C THR A 165 -7.523 -1.628 -1.792 1.00 0.00 C ATOM 138 O THR A 165 -7.427 -2.711 -2.371 1.00 0.00 O ATOM 139 CB THR A 165 -9.803 -0.628 -2.012 1.00 0.00 C ATOM 140 OG1 THR A 165 -10.903 -0.078 -1.309 1.00 0.00 O ATOM 141 CG2 THR A 165 -10.345 -1.632 -3.006 1.00 0.00 C ATOM 0 H THR A 165 -8.614 0.671 -0.196 1.00 0.00 H new ATOM 0 HA THR A 165 -9.241 -2.132 -0.610 1.00 0.00 H new ATOM 0 HB THR A 165 -9.262 0.148 -2.553 1.00 0.00 H new ATOM 0 HG1 THR A 165 -10.596 0.671 -0.756 1.00 0.00 H new ATOM 0 HG21 THR A 165 -11.060 -1.141 -3.666 1.00 0.00 H new ATOM 0 HG22 THR A 165 -9.524 -2.038 -3.597 1.00 0.00 H new ATOM 0 HG23 THR A 165 -10.842 -2.441 -2.471 1.00 0.00 H new ATOM 149 N MET A 166 -6.538 -0.743 -1.728 1.00 0.00 N ATOM 150 CA MET A 166 -5.246 -0.974 -2.340 1.00 0.00 C ATOM 151 C MET A 166 -4.563 -2.015 -1.534 1.00 0.00 C ATOM 152 O MET A 166 -4.018 -2.997 -2.033 1.00 0.00 O ATOM 153 CB MET A 166 -4.429 0.310 -2.278 1.00 0.00 C ATOM 154 CG MET A 166 -5.225 1.513 -2.689 1.00 0.00 C ATOM 155 SD MET A 166 -4.292 2.668 -3.708 1.00 0.00 S ATOM 156 CE MET A 166 -4.688 4.224 -2.917 1.00 0.00 C ATOM 0 H MET A 166 -6.617 0.154 -1.249 1.00 0.00 H new ATOM 0 HA MET A 166 -5.354 -1.284 -3.379 1.00 0.00 H new ATOM 0 HB2 MET A 166 -4.057 0.453 -1.263 1.00 0.00 H new ATOM 0 HB3 MET A 166 -3.558 0.215 -2.926 1.00 0.00 H new ATOM 0 HG2 MET A 166 -6.108 1.186 -3.238 1.00 0.00 H new ATOM 0 HG3 MET A 166 -5.578 2.029 -1.796 1.00 0.00 H new ATOM 0 HE1 MET A 166 -4.562 5.038 -3.631 1.00 0.00 H new ATOM 0 HE2 MET A 166 -5.721 4.203 -2.569 1.00 0.00 H new ATOM 0 HE3 MET A 166 -4.022 4.380 -2.068 1.00 0.00 H new ATOM 166 N LEU A 167 -4.637 -1.769 -0.258 1.00 0.00 N ATOM 167 CA LEU A 167 -4.070 -2.648 0.712 1.00 0.00 C ATOM 168 C LEU A 167 -4.637 -4.037 0.542 1.00 0.00 C ATOM 169 O LEU A 167 -3.900 -4.987 0.371 1.00 0.00 O ATOM 170 CB LEU A 167 -4.363 -2.132 2.111 1.00 0.00 C ATOM 171 CG LEU A 167 -4.064 -0.648 2.328 1.00 0.00 C ATOM 172 CD1 LEU A 167 -3.860 -0.375 3.820 1.00 0.00 C ATOM 173 CD2 LEU A 167 -2.769 -0.267 1.611 1.00 0.00 C ATOM 0 H LEU A 167 -5.096 -0.948 0.137 1.00 0.00 H new ATOM 0 HA LEU A 167 -2.990 -2.688 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -5.414 -2.312 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -3.780 -2.713 2.826 1.00 0.00 H new ATOM 0 HG LEU A 167 -4.902 -0.069 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -3.647 0.683 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -4.764 -0.645 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -3.023 -0.969 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -2.563 0.791 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -1.945 -0.861 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -2.874 -0.460 0.543 1.00 0.00 H new ATOM 185 N THR A 168 -5.955 -4.128 0.600 1.00 0.00 N ATOM 186 CA THR A 168 -6.661 -5.395 0.479 1.00 0.00 C ATOM 187 C THR A 168 -6.327 -6.144 -0.813 1.00 0.00 C ATOM 188 O THR A 168 -6.172 -7.362 -0.787 1.00 0.00 O ATOM 189 CB THR A 168 -8.170 -5.158 0.592 1.00 0.00 C ATOM 190 OG1 THR A 168 -8.577 -5.174 1.948 1.00 0.00 O ATOM 191 CG2 THR A 168 -9.004 -6.179 -0.146 1.00 0.00 C ATOM 0 H THR A 168 -6.568 -3.324 0.733 1.00 0.00 H new ATOM 0 HA THR A 168 -6.326 -6.033 1.297 1.00 0.00 H new ATOM 0 HB THR A 168 -8.339 -4.183 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 168 -9.543 -5.019 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 168 -10.061 -5.945 -0.020 1.00 0.00 H new ATOM 0 HG22 THR A 168 -8.752 -6.157 -1.206 1.00 0.00 H new ATOM 0 HG23 THR A 168 -8.802 -7.172 0.255 1.00 0.00 H new ATOM 199 N GLU A 169 -6.196 -5.449 -1.937 1.00 0.00 N ATOM 200 CA GLU A 169 -5.854 -6.143 -3.175 1.00 0.00 C ATOM 201 C GLU A 169 -4.424 -6.652 -3.055 1.00 0.00 C ATOM 202 O GLU A 169 -4.155 -7.862 -2.932 1.00 0.00 O ATOM 203 CB GLU A 169 -5.987 -5.202 -4.376 1.00 0.00 C ATOM 204 CG GLU A 169 -6.888 -5.743 -5.474 1.00 0.00 C ATOM 205 CD GLU A 169 -6.135 -6.601 -6.473 1.00 0.00 C ATOM 206 OE1 GLU A 169 -5.100 -7.188 -6.093 1.00 0.00 O ATOM 207 OE2 GLU A 169 -6.581 -6.685 -7.637 1.00 0.00 O ATOM 0 H GLU A 169 -6.316 -4.439 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 169 -6.537 -6.978 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -6.379 -4.244 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -4.997 -5.012 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -7.689 -6.331 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.358 -4.910 -5.997 1.00 0.00 H new ATOM 214 N ILE A 170 -3.513 -5.698 -3.034 1.00 0.00 N ATOM 215 CA ILE A 170 -2.110 -5.986 -2.871 1.00 0.00 C ATOM 216 C ILE A 170 -1.909 -6.898 -1.673 1.00 0.00 C ATOM 217 O ILE A 170 -0.930 -7.637 -1.582 1.00 0.00 O ATOM 218 CB ILE A 170 -1.336 -4.674 -2.702 1.00 0.00 C ATOM 219 CG1 ILE A 170 -1.586 -3.836 -3.950 1.00 0.00 C ATOM 220 CG2 ILE A 170 0.135 -4.947 -2.508 1.00 0.00 C ATOM 221 CD1 ILE A 170 -1.623 -2.348 -3.715 1.00 0.00 C ATOM 0 H ILE A 170 -3.729 -4.706 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 170 -1.732 -6.499 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 170 -1.674 -4.135 -1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -0.807 -4.055 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 170 -2.533 -4.143 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 170 0.668 -4.003 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 170 0.277 -5.558 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 170 0.524 -5.477 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 170 -1.806 -1.835 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 170 -2.422 -2.110 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 170 -0.668 -2.021 -3.303 1.00 0.00 H new ATOM 233 N MET A 171 -2.880 -6.852 -0.775 1.00 0.00 N ATOM 234 CA MET A 171 -2.875 -7.685 0.421 1.00 0.00 C ATOM 235 C MET A 171 -2.957 -9.148 0.030 1.00 0.00 C ATOM 236 O MET A 171 -1.993 -9.894 0.140 1.00 0.00 O ATOM 237 CB MET A 171 -4.074 -7.346 1.308 1.00 0.00 C ATOM 238 CG MET A 171 -3.725 -6.468 2.478 1.00 0.00 C ATOM 239 SD MET A 171 -4.881 -6.609 3.847 1.00 0.00 S ATOM 240 CE MET A 171 -5.080 -4.875 4.242 1.00 0.00 C ATOM 0 H MET A 171 -3.692 -6.239 -0.852 1.00 0.00 H new ATOM 0 HA MET A 171 -1.951 -7.497 0.968 1.00 0.00 H new ATOM 0 HB2 MET A 171 -4.833 -6.849 0.704 1.00 0.00 H new ATOM 0 HB3 MET A 171 -4.516 -8.271 1.677 1.00 0.00 H new ATOM 0 HG2 MET A 171 -2.725 -6.724 2.829 1.00 0.00 H new ATOM 0 HG3 MET A 171 -3.691 -5.430 2.146 1.00 0.00 H new ATOM 0 HE1 MET A 171 -5.185 -4.757 5.321 1.00 0.00 H new ATOM 0 HE2 MET A 171 -4.206 -4.321 3.900 1.00 0.00 H new ATOM 0 HE3 MET A 171 -5.971 -4.489 3.747 1.00 0.00 H new ATOM 250 N SER A 172 -4.133 -9.540 -0.436 1.00 0.00 N ATOM 251 CA SER A 172 -4.371 -10.911 -0.869 1.00 0.00 C ATOM 252 C SER A 172 -3.107 -11.493 -1.484 1.00 0.00 C ATOM 253 O SER A 172 -2.845 -12.691 -1.375 1.00 0.00 O ATOM 254 CB SER A 172 -5.518 -10.959 -1.878 1.00 0.00 C ATOM 255 OG SER A 172 -6.642 -10.233 -1.411 1.00 0.00 O ATOM 0 H SER A 172 -4.942 -8.925 -0.525 1.00 0.00 H new ATOM 0 HA SER A 172 -4.647 -11.508 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 172 -5.185 -10.546 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 172 -5.802 -11.995 -2.061 1.00 0.00 H new ATOM 0 HG SER A 172 -7.360 -10.279 -2.076 1.00 0.00 H new ATOM 261 N MET A 173 -2.315 -10.632 -2.123 1.00 0.00 N ATOM 262 CA MET A 173 -1.071 -11.061 -2.742 1.00 0.00 C ATOM 263 C MET A 173 0.078 -11.110 -1.730 1.00 0.00 C ATOM 264 O MET A 173 1.224 -10.806 -2.062 1.00 0.00 O ATOM 265 CB MET A 173 -0.709 -10.137 -3.900 1.00 0.00 C ATOM 266 CG MET A 173 -1.781 -9.117 -4.236 1.00 0.00 C ATOM 267 SD MET A 173 -1.607 -8.440 -5.896 1.00 0.00 S ATOM 268 CE MET A 173 -0.178 -7.384 -5.681 1.00 0.00 C ATOM 0 H MET A 173 -2.516 -9.637 -2.223 1.00 0.00 H new ATOM 0 HA MET A 173 -1.224 -12.071 -3.122 1.00 0.00 H new ATOM 0 HB2 MET A 173 0.214 -9.611 -3.657 1.00 0.00 H new ATOM 0 HB3 MET A 173 -0.508 -10.742 -4.784 1.00 0.00 H new ATOM 0 HG2 MET A 173 -2.762 -9.583 -4.140 1.00 0.00 H new ATOM 0 HG3 MET A 173 -1.742 -8.304 -3.511 1.00 0.00 H new ATOM 0 HE1 MET A 173 0.508 -7.526 -6.516 1.00 0.00 H new ATOM 0 HE2 MET A 173 -0.497 -6.342 -5.647 1.00 0.00 H new ATOM 0 HE3 MET A 173 0.326 -7.639 -4.749 1.00 0.00 H new ATOM 278 N GLY A 174 -0.233 -11.515 -0.499 1.00 0.00 N ATOM 279 CA GLY A 174 0.780 -11.625 0.537 1.00 0.00 C ATOM 280 C GLY A 174 1.448 -10.308 0.897 1.00 0.00 C ATOM 281 O GLY A 174 2.674 -10.245 1.003 1.00 0.00 O ATOM 0 H GLY A 174 -1.175 -11.770 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 174 0.323 -12.045 1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 174 1.544 -12.330 0.209 1.00 0.00 H new ATOM 285 N TYR A 175 0.657 -9.259 1.098 1.00 0.00 N ATOM 286 CA TYR A 175 1.207 -7.956 1.463 1.00 0.00 C ATOM 287 C TYR A 175 0.319 -7.227 2.469 1.00 0.00 C ATOM 288 O TYR A 175 -0.571 -6.465 2.092 1.00 0.00 O ATOM 289 CB TYR A 175 1.398 -7.085 0.223 1.00 0.00 C ATOM 290 CG TYR A 175 2.253 -7.733 -0.846 1.00 0.00 C ATOM 291 CD1 TYR A 175 3.459 -8.335 -0.522 1.00 0.00 C ATOM 292 CD2 TYR A 175 1.851 -7.743 -2.178 1.00 0.00 C ATOM 293 CE1 TYR A 175 4.244 -8.933 -1.490 1.00 0.00 C ATOM 294 CE2 TYR A 175 2.632 -8.339 -3.151 1.00 0.00 C ATOM 295 CZ TYR A 175 3.826 -8.931 -2.801 1.00 0.00 C ATOM 296 OH TYR A 175 4.605 -9.525 -3.768 1.00 0.00 O ATOM 0 H TYR A 175 -0.359 -9.283 1.015 1.00 0.00 H new ATOM 0 HA TYR A 175 2.175 -8.137 1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 175 0.421 -6.848 -0.199 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.855 -6.141 0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 175 3.791 -8.337 0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 175 0.916 -7.279 -2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 175 5.180 -9.399 -1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 175 2.307 -8.341 -4.181 1.00 0.00 H new ATOM 0 HH TYR A 175 4.167 -9.437 -4.640 1.00 0.00 H new ATOM 306 N GLU A 176 0.575 -7.455 3.752 1.00 0.00 N ATOM 307 CA GLU A 176 -0.195 -6.812 4.814 1.00 0.00 C ATOM 308 C GLU A 176 -0.574 -5.385 4.432 1.00 0.00 C ATOM 309 O GLU A 176 0.056 -4.772 3.571 1.00 0.00 O ATOM 310 CB GLU A 176 0.600 -6.808 6.119 1.00 0.00 C ATOM 311 CG GLU A 176 -0.272 -6.814 7.362 1.00 0.00 C ATOM 312 CD GLU A 176 -0.076 -8.057 8.208 1.00 0.00 C ATOM 313 OE1 GLU A 176 -0.167 -9.173 7.653 1.00 0.00 O ATOM 314 OE2 GLU A 176 0.170 -7.915 9.423 1.00 0.00 O ATOM 0 H GLU A 176 1.310 -8.080 4.084 1.00 0.00 H new ATOM 0 HA GLU A 176 -1.112 -7.384 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 176 1.253 -7.680 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 176 1.243 -5.928 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -0.048 -5.932 7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -1.319 -6.742 7.067 1.00 0.00 H new ATOM 321 N ARG A 177 -1.614 -4.871 5.077 1.00 0.00 N ATOM 322 CA ARG A 177 -2.101 -3.523 4.813 1.00 0.00 C ATOM 323 C ARG A 177 -1.027 -2.474 5.061 1.00 0.00 C ATOM 324 O ARG A 177 -1.021 -1.423 4.429 1.00 0.00 O ATOM 325 CB ARG A 177 -3.327 -3.234 5.700 1.00 0.00 C ATOM 326 CG ARG A 177 -3.129 -2.135 6.739 1.00 0.00 C ATOM 327 CD ARG A 177 -4.073 -2.309 7.917 1.00 0.00 C ATOM 328 NE ARG A 177 -5.286 -3.034 7.545 1.00 0.00 N ATOM 329 CZ ARG A 177 -6.073 -3.651 8.420 1.00 0.00 C ATOM 330 NH1 ARG A 177 -5.772 -3.632 9.712 1.00 0.00 N ATOM 331 NH2 ARG A 177 -7.161 -4.285 8.006 1.00 0.00 N ATOM 0 H ARG A 177 -2.140 -5.372 5.793 1.00 0.00 H new ATOM 0 HA ARG A 177 -2.380 -3.468 3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -4.164 -2.959 5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -3.608 -4.153 6.215 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -2.098 -2.148 7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -3.296 -1.162 6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -3.561 -2.845 8.716 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -4.343 -1.330 8.313 1.00 0.00 H new ATOM 0 HE ARG A 177 -5.543 -3.068 6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -4.936 -3.144 10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -6.376 -4.106 10.383 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -7.396 -4.300 7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -7.763 -4.758 8.680 1.00 0.00 H new ATOM 345 N GLU A 178 -0.163 -2.738 6.023 1.00 0.00 N ATOM 346 CA GLU A 178 0.870 -1.776 6.391 1.00 0.00 C ATOM 347 C GLU A 178 2.035 -1.715 5.408 1.00 0.00 C ATOM 348 O GLU A 178 2.637 -0.658 5.230 1.00 0.00 O ATOM 349 CB GLU A 178 1.391 -2.068 7.797 1.00 0.00 C ATOM 350 CG GLU A 178 2.154 -3.378 7.906 1.00 0.00 C ATOM 351 CD GLU A 178 3.536 -3.202 8.503 1.00 0.00 C ATOM 352 OE1 GLU A 178 3.624 -2.896 9.710 1.00 0.00 O ATOM 353 OE2 GLU A 178 4.529 -3.367 7.764 1.00 0.00 O ATOM 0 H GLU A 178 -0.152 -3.603 6.563 1.00 0.00 H new ATOM 0 HA GLU A 178 0.391 -0.797 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 178 2.042 -1.252 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 178 0.550 -2.089 8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 178 1.584 -4.076 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 178 2.245 -3.824 6.916 1.00 0.00 H new ATOM 360 N ARG A 179 2.371 -2.831 4.782 1.00 0.00 N ATOM 361 CA ARG A 179 3.474 -2.858 3.846 1.00 0.00 C ATOM 362 C ARG A 179 3.119 -2.148 2.555 1.00 0.00 C ATOM 363 O ARG A 179 3.952 -1.495 1.927 1.00 0.00 O ATOM 364 CB ARG A 179 3.846 -4.300 3.546 1.00 0.00 C ATOM 365 CG ARG A 179 4.540 -5.009 4.697 1.00 0.00 C ATOM 366 CD ARG A 179 3.967 -6.399 4.921 1.00 0.00 C ATOM 367 NE ARG A 179 4.937 -7.295 5.544 1.00 0.00 N ATOM 368 CZ ARG A 179 5.187 -7.315 6.847 1.00 0.00 C ATOM 369 NH1 ARG A 179 4.542 -6.490 7.662 1.00 0.00 N ATOM 370 NH2 ARG A 179 6.082 -8.161 7.339 1.00 0.00 N ATOM 0 H ARG A 179 1.896 -3.725 4.907 1.00 0.00 H new ATOM 0 HA ARG A 179 4.319 -2.339 4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 179 2.943 -4.851 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 179 4.497 -4.323 2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 179 5.607 -5.083 4.489 1.00 0.00 H new ATOM 0 HG3 ARG A 179 4.433 -4.419 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 179 3.081 -6.329 5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 179 3.647 -6.818 3.967 1.00 0.00 H new ATOM 0 HE ARG A 179 5.451 -7.941 4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 179 3.852 -5.839 7.287 1.00 0.00 H new ATOM 0 HH12 ARG A 179 4.736 -6.507 8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 179 6.579 -8.797 6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 179 6.273 -8.175 8.341 1.00 0.00 H new ATOM 384 N VAL A 180 1.876 -2.298 2.167 1.00 0.00 N ATOM 385 CA VAL A 180 1.379 -1.705 0.938 1.00 0.00 C ATOM 386 C VAL A 180 0.912 -0.284 1.156 1.00 0.00 C ATOM 387 O VAL A 180 1.121 0.560 0.297 1.00 0.00 O ATOM 388 CB VAL A 180 0.304 -2.604 0.297 1.00 0.00 C ATOM 389 CG1 VAL A 180 -0.301 -3.526 1.339 1.00 0.00 C ATOM 390 CG2 VAL A 180 -0.750 -1.795 -0.428 1.00 0.00 C ATOM 0 H VAL A 180 1.179 -2.831 2.688 1.00 0.00 H new ATOM 0 HA VAL A 180 2.202 -1.641 0.226 1.00 0.00 H new ATOM 0 HB VAL A 180 0.786 -3.223 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.059 -4.155 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.480 -4.155 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -0.760 -2.931 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.488 -2.468 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.242 -1.124 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.280 -1.210 -1.218 1.00 0.00 H new ATOM 400 N VAL A 181 0.344 0.001 2.314 1.00 0.00 N ATOM 401 CA VAL A 181 -0.069 1.359 2.612 1.00 0.00 C ATOM 402 C VAL A 181 1.170 2.200 2.812 1.00 0.00 C ATOM 403 O VAL A 181 1.257 3.333 2.352 1.00 0.00 O ATOM 404 CB VAL A 181 -0.983 1.439 3.844 1.00 0.00 C ATOM 405 CG1 VAL A 181 -0.192 1.662 5.122 1.00 0.00 C ATOM 406 CG2 VAL A 181 -1.991 2.539 3.685 1.00 0.00 C ATOM 0 H VAL A 181 0.161 -0.678 3.053 1.00 0.00 H new ATOM 0 HA VAL A 181 -0.655 1.736 1.774 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.497 0.481 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -0.876 1.713 5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 181 0.505 0.837 5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 181 0.363 2.597 5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.628 2.579 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -1.474 3.492 3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -2.603 2.347 2.804 1.00 0.00 H new ATOM 416 N ALA A 182 2.154 1.596 3.450 1.00 0.00 N ATOM 417 CA ALA A 182 3.431 2.249 3.649 1.00 0.00 C ATOM 418 C ALA A 182 4.093 2.324 2.292 1.00 0.00 C ATOM 419 O ALA A 182 4.859 3.244 2.003 1.00 0.00 O ATOM 420 CB ALA A 182 4.302 1.472 4.651 1.00 0.00 C ATOM 0 H ALA A 182 2.093 0.655 3.839 1.00 0.00 H new ATOM 0 HA ALA A 182 3.297 3.245 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.254 1.986 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 182 3.788 1.413 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 182 4.481 0.465 4.273 1.00 0.00 H new ATOM 426 N ALA A 183 3.735 1.365 1.438 1.00 0.00 N ATOM 427 CA ALA A 183 4.237 1.345 0.085 1.00 0.00 C ATOM 428 C ALA A 183 3.453 2.355 -0.733 1.00 0.00 C ATOM 429 O ALA A 183 3.913 2.819 -1.775 1.00 0.00 O ATOM 430 CB ALA A 183 4.128 -0.042 -0.519 1.00 0.00 C ATOM 0 H ALA A 183 3.101 0.600 1.668 1.00 0.00 H new ATOM 0 HA ALA A 183 5.294 1.611 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 183 4.514 -0.026 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.709 -0.745 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 183 3.083 -0.352 -0.531 1.00 0.00 H new ATOM 436 N LEU A 184 2.279 2.736 -0.219 1.00 0.00 N ATOM 437 CA LEU A 184 1.463 3.738 -0.874 1.00 0.00 C ATOM 438 C LEU A 184 2.147 5.068 -0.662 1.00 0.00 C ATOM 439 O LEU A 184 2.372 5.810 -1.596 1.00 0.00 O ATOM 440 CB LEU A 184 0.033 3.788 -0.311 1.00 0.00 C ATOM 441 CG LEU A 184 -0.860 2.581 -0.639 1.00 0.00 C ATOM 442 CD1 LEU A 184 -2.107 2.569 0.224 1.00 0.00 C ATOM 443 CD2 LEU A 184 -1.260 2.610 -2.099 1.00 0.00 C ATOM 0 H LEU A 184 1.883 2.363 0.644 1.00 0.00 H new ATOM 0 HA LEU A 184 1.368 3.494 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 184 0.093 3.887 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.453 4.688 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 184 -0.287 1.677 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -2.718 1.703 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -1.822 2.514 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.679 3.481 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.892 1.750 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.810 3.528 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.366 2.573 -2.722 1.00 0.00 H new ATOM 455 N ARG A 185 2.533 5.332 0.577 1.00 0.00 N ATOM 456 CA ARG A 185 3.246 6.553 0.894 1.00 0.00 C ATOM 457 C ARG A 185 4.579 6.534 0.169 1.00 0.00 C ATOM 458 O ARG A 185 5.126 7.575 -0.193 1.00 0.00 O ATOM 459 CB ARG A 185 3.466 6.678 2.403 1.00 0.00 C ATOM 460 CG ARG A 185 2.259 6.265 3.229 1.00 0.00 C ATOM 461 CD ARG A 185 2.505 6.472 4.714 1.00 0.00 C ATOM 462 NE ARG A 185 1.354 6.072 5.520 1.00 0.00 N ATOM 463 CZ ARG A 185 0.253 6.804 5.643 1.00 0.00 C ATOM 464 NH1 ARG A 185 0.153 7.967 5.017 1.00 0.00 N ATOM 465 NH2 ARG A 185 -0.752 6.373 6.394 1.00 0.00 N ATOM 0 H ARG A 185 2.364 4.718 1.374 1.00 0.00 H new ATOM 0 HA ARG A 185 2.657 7.412 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 185 4.320 6.064 2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 185 3.722 7.711 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 185 1.389 6.844 2.919 1.00 0.00 H new ATOM 0 HG3 ARG A 185 2.028 5.217 3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 185 3.379 5.898 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 185 2.732 7.522 4.901 1.00 0.00 H new ATOM 0 HE ARG A 185 1.399 5.182 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 185 0.923 8.303 4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 185 -0.694 8.527 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 185 -0.680 5.478 6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 185 -1.597 6.937 6.487 1.00 0.00 H new ATOM 479 N ALA A 186 5.090 5.322 -0.050 1.00 0.00 N ATOM 480 CA ALA A 186 6.357 5.141 -0.746 1.00 0.00 C ATOM 481 C ALA A 186 6.144 4.974 -2.251 1.00 0.00 C ATOM 482 O ALA A 186 7.103 4.952 -3.022 1.00 0.00 O ATOM 483 CB ALA A 186 7.099 3.942 -0.176 1.00 0.00 C ATOM 0 H ALA A 186 4.644 4.454 0.246 1.00 0.00 H new ATOM 0 HA ALA A 186 6.960 6.036 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 186 8.045 3.815 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 186 7.293 4.105 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 186 6.492 3.046 -0.300 1.00 0.00 H new ATOM 489 N SER A 187 4.882 4.855 -2.664 1.00 0.00 N ATOM 490 CA SER A 187 4.547 4.689 -4.079 1.00 0.00 C ATOM 491 C SER A 187 3.676 5.843 -4.585 1.00 0.00 C ATOM 492 O SER A 187 3.335 5.897 -5.763 1.00 0.00 O ATOM 493 CB SER A 187 3.824 3.357 -4.312 1.00 0.00 C ATOM 494 OG SER A 187 4.631 2.262 -3.915 1.00 0.00 O ATOM 0 H SER A 187 4.075 4.870 -2.040 1.00 0.00 H new ATOM 0 HA SER A 187 5.483 4.691 -4.638 1.00 0.00 H new ATOM 0 HB2 SER A 187 2.888 3.345 -3.753 1.00 0.00 H new ATOM 0 HB3 SER A 187 3.566 3.259 -5.367 1.00 0.00 H new ATOM 0 HG SER A 187 4.794 2.309 -2.950 1.00 0.00 H new ATOM 500 N TYR A 188 3.335 6.771 -3.689 1.00 0.00 N ATOM 501 CA TYR A 188 2.514 7.935 -4.044 1.00 0.00 C ATOM 502 C TYR A 188 1.018 7.587 -4.132 1.00 0.00 C ATOM 503 O TYR A 188 0.375 7.860 -5.147 1.00 0.00 O ATOM 504 CB TYR A 188 2.987 8.516 -5.385 1.00 0.00 C ATOM 505 CG TYR A 188 2.861 10.028 -5.500 1.00 0.00 C ATOM 506 CD1 TYR A 188 1.654 10.625 -5.855 1.00 0.00 C ATOM 507 CD2 TYR A 188 3.953 10.860 -5.261 1.00 0.00 C ATOM 508 CE1 TYR A 188 1.540 11.999 -5.963 1.00 0.00 C ATOM 509 CE2 TYR A 188 3.843 12.233 -5.367 1.00 0.00 C ATOM 510 CZ TYR A 188 2.635 12.797 -5.717 1.00 0.00 C ATOM 511 OH TYR A 188 2.524 14.164 -5.825 1.00 0.00 O ATOM 0 H TYR A 188 3.615 6.741 -2.709 1.00 0.00 H new ATOM 0 HA TYR A 188 2.635 8.673 -3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 188 4.030 8.239 -5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 188 2.413 8.055 -6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 188 0.792 10.004 -6.049 1.00 0.00 H new ATOM 0 HD2 TYR A 188 4.902 10.424 -4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 188 0.596 12.444 -6.239 1.00 0.00 H new ATOM 0 HE2 TYR A 188 4.700 12.862 -5.176 1.00 0.00 H new ATOM 0 HH TYR A 188 3.387 14.580 -5.618 1.00 0.00 H new ATOM 521 N ASN A 189 0.462 6.999 -3.068 1.00 0.00 N ATOM 522 CA ASN A 189 -0.951 6.630 -3.024 1.00 0.00 C ATOM 523 C ASN A 189 -1.315 5.537 -4.031 1.00 0.00 C ATOM 524 O ASN A 189 -2.425 5.008 -3.997 1.00 0.00 O ATOM 525 CB ASN A 189 -1.802 7.859 -3.287 1.00 0.00 C ATOM 526 CG ASN A 189 -2.993 7.979 -2.350 1.00 0.00 C ATOM 527 OD1 ASN A 189 -3.346 9.077 -1.920 1.00 0.00 O ATOM 528 ND2 ASN A 189 -3.617 6.853 -2.030 1.00 0.00 N ATOM 0 H ASN A 189 0.978 6.768 -2.219 1.00 0.00 H new ATOM 0 HA ASN A 189 -1.146 6.228 -2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 189 -1.181 8.750 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 189 -2.160 7.831 -4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 189 -4.423 6.876 -1.405 1.00 0.00 H new ATOM 0 HD22 ASN A 189 -3.291 5.964 -2.409 1.00 0.00 H new ATOM 535 N ASN A 190 -0.397 5.196 -4.926 1.00 0.00 N ATOM 536 CA ASN A 190 -0.673 4.170 -5.913 1.00 0.00 C ATOM 537 C ASN A 190 -0.673 2.798 -5.264 1.00 0.00 C ATOM 538 O ASN A 190 0.018 2.568 -4.276 1.00 0.00 O ATOM 539 CB ASN A 190 0.350 4.196 -7.033 1.00 0.00 C ATOM 540 CG ASN A 190 0.720 5.600 -7.455 1.00 0.00 C ATOM 541 OD1 ASN A 190 1.288 6.371 -6.687 1.00 0.00 O ATOM 542 ND2 ASN A 190 0.388 5.933 -8.685 1.00 0.00 N ATOM 0 H ASN A 190 0.533 5.611 -4.986 1.00 0.00 H new ATOM 0 HA ASN A 190 -1.657 4.374 -6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 190 1.248 3.670 -6.711 1.00 0.00 H new ATOM 0 HB3 ASN A 190 -0.045 3.655 -7.893 1.00 0.00 H new ATOM 0 HD21 ASN A 190 0.602 6.866 -9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 190 -0.083 5.258 -9.287 1.00 0.00 H new ATOM 549 N PRO A 191 -1.458 1.870 -5.816 1.00 0.00 N ATOM 550 CA PRO A 191 -1.594 0.515 -5.323 1.00 0.00 C ATOM 551 C PRO A 191 -0.714 -0.455 -6.088 1.00 0.00 C ATOM 552 O PRO A 191 0.224 -1.030 -5.541 1.00 0.00 O ATOM 553 CB PRO A 191 -3.056 0.209 -5.609 1.00 0.00 C ATOM 554 CG PRO A 191 -3.524 1.281 -6.560 1.00 0.00 C ATOM 555 CD PRO A 191 -2.303 2.055 -6.977 1.00 0.00 C ATOM 0 HA PRO A 191 -1.303 0.419 -4.277 1.00 0.00 H new ATOM 0 HB2 PRO A 191 -3.169 -0.781 -6.051 1.00 0.00 H new ATOM 0 HB3 PRO A 191 -3.644 0.217 -4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 191 -4.017 0.841 -7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 191 -4.251 1.935 -6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 191 -1.851 1.657 -7.885 1.00 0.00 H new ATOM 0 HD3 PRO A 191 -2.523 3.106 -7.165 1.00 0.00 H new ATOM 563 N HIS A 192 -1.025 -0.628 -7.370 1.00 0.00 N ATOM 564 CA HIS A 192 -0.254 -1.513 -8.218 1.00 0.00 C ATOM 565 C HIS A 192 1.227 -1.218 -8.032 1.00 0.00 C ATOM 566 O HIS A 192 2.028 -2.125 -7.821 1.00 0.00 O ATOM 567 CB HIS A 192 -0.656 -1.326 -9.682 1.00 0.00 C ATOM 568 CG HIS A 192 -0.417 -2.537 -10.528 1.00 0.00 C ATOM 569 ND1 HIS A 192 -1.198 -3.672 -10.456 1.00 0.00 N ATOM 570 CD2 HIS A 192 0.524 -2.791 -11.468 1.00 0.00 C ATOM 571 CE1 HIS A 192 -0.749 -4.569 -11.315 1.00 0.00 C ATOM 572 NE2 HIS A 192 0.295 -4.058 -11.942 1.00 0.00 N ATOM 0 H HIS A 192 -1.805 -0.165 -7.837 1.00 0.00 H new ATOM 0 HA HIS A 192 -0.453 -2.548 -7.940 1.00 0.00 H new ATOM 0 HB2 HIS A 192 -1.713 -1.063 -9.729 1.00 0.00 H new ATOM 0 HB3 HIS A 192 -0.100 -0.486 -10.099 1.00 0.00 H new ATOM 0 HD2 HIS A 192 1.309 -2.121 -11.786 1.00 0.00 H new ATOM 0 HE1 HIS A 192 -1.165 -5.553 -11.477 1.00 0.00 H new ATOM 0 HE2 HIS A 192 0.843 -4.529 -12.662 1.00 0.00 H new ATOM 580 N ARG A 193 1.572 0.068 -8.070 1.00 0.00 N ATOM 581 CA ARG A 193 2.949 0.496 -7.859 1.00 0.00 C ATOM 582 C ARG A 193 3.326 0.186 -6.425 1.00 0.00 C ATOM 583 O ARG A 193 4.465 -0.148 -6.115 1.00 0.00 O ATOM 584 CB ARG A 193 3.094 1.996 -8.124 1.00 0.00 C ATOM 585 CG ARG A 193 4.390 2.590 -7.599 1.00 0.00 C ATOM 586 CD ARG A 193 5.374 2.874 -8.724 1.00 0.00 C ATOM 587 NE ARG A 193 5.464 1.762 -9.666 1.00 0.00 N ATOM 588 CZ ARG A 193 6.289 0.731 -9.511 1.00 0.00 C ATOM 589 NH1 ARG A 193 7.090 0.672 -8.456 1.00 0.00 N ATOM 590 NH2 ARG A 193 6.317 -0.241 -10.413 1.00 0.00 N ATOM 0 H ARG A 193 0.916 0.829 -8.245 1.00 0.00 H new ATOM 0 HA ARG A 193 3.608 -0.032 -8.548 1.00 0.00 H new ATOM 0 HB2 ARG A 193 3.033 2.173 -9.198 1.00 0.00 H new ATOM 0 HB3 ARG A 193 2.254 2.519 -7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 193 4.176 3.513 -7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 193 4.842 1.902 -6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 193 5.067 3.775 -9.255 1.00 0.00 H new ATOM 0 HD3 ARG A 193 6.359 3.073 -8.302 1.00 0.00 H new ATOM 0 HE ARG A 193 4.861 1.777 -10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 193 7.074 1.419 -7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 193 7.722 -0.120 -8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 193 5.705 -0.198 -11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 193 6.951 -1.031 -10.292 1.00 0.00 H new ATOM 604 N ALA A 194 2.325 0.294 -5.560 1.00 0.00 N ATOM 605 CA ALA A 194 2.479 0.019 -4.141 1.00 0.00 C ATOM 606 C ALA A 194 3.034 -1.379 -3.917 1.00 0.00 C ATOM 607 O ALA A 194 3.794 -1.615 -2.978 1.00 0.00 O ATOM 608 CB ALA A 194 1.130 0.152 -3.451 1.00 0.00 C ATOM 0 H ALA A 194 1.381 0.576 -5.826 1.00 0.00 H new ATOM 0 HA ALA A 194 3.182 0.738 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 194 1.244 -0.054 -2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.751 1.165 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.428 -0.559 -3.885 1.00 0.00 H new ATOM 614 N VAL A 195 2.638 -2.306 -4.783 1.00 0.00 N ATOM 615 CA VAL A 195 3.085 -3.685 -4.671 1.00 0.00 C ATOM 616 C VAL A 195 4.353 -3.913 -5.454 1.00 0.00 C ATOM 617 O VAL A 195 5.245 -4.633 -5.015 1.00 0.00 O ATOM 618 CB VAL A 195 1.989 -4.659 -5.105 1.00 0.00 C ATOM 619 CG1 VAL A 195 1.610 -4.471 -6.547 1.00 0.00 C ATOM 620 CG2 VAL A 195 2.397 -6.096 -4.823 1.00 0.00 C ATOM 0 H VAL A 195 2.011 -2.126 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 195 3.304 -3.876 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 195 1.102 -4.437 -4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 195 0.829 -5.183 -6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 195 1.243 -3.456 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 195 2.483 -4.638 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 195 1.601 -6.769 -5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 195 3.310 -6.329 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 195 2.573 -6.221 -3.755 1.00 0.00 H new ATOM 630 N GLU A 196 4.474 -3.225 -6.563 1.00 0.00 N ATOM 631 CA GLU A 196 5.709 -3.293 -7.323 1.00 0.00 C ATOM 632 C GLU A 196 6.787 -2.740 -6.403 1.00 0.00 C ATOM 633 O GLU A 196 7.978 -3.026 -6.545 1.00 0.00 O ATOM 634 CB GLU A 196 5.615 -2.475 -8.612 1.00 0.00 C ATOM 635 CG GLU A 196 5.766 -3.309 -9.873 1.00 0.00 C ATOM 636 CD GLU A 196 6.886 -4.325 -9.771 1.00 0.00 C ATOM 637 OE1 GLU A 196 7.720 -4.201 -8.849 1.00 0.00 O ATOM 638 OE2 GLU A 196 6.932 -5.245 -10.615 1.00 0.00 O ATOM 0 H GLU A 196 3.752 -2.622 -6.958 1.00 0.00 H new ATOM 0 HA GLU A 196 5.929 -4.315 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 196 4.653 -1.963 -8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 196 6.386 -1.705 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 196 4.829 -3.827 -10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 196 5.955 -2.649 -10.720 1.00 0.00 H new ATOM 645 N TYR A 197 6.311 -1.982 -5.410 1.00 0.00 N ATOM 646 CA TYR A 197 7.137 -1.402 -4.382 1.00 0.00 C ATOM 647 C TYR A 197 7.411 -2.480 -3.356 1.00 0.00 C ATOM 648 O TYR A 197 8.549 -2.723 -2.960 1.00 0.00 O ATOM 649 CB TYR A 197 6.382 -0.245 -3.740 1.00 0.00 C ATOM 650 CG TYR A 197 7.280 0.833 -3.209 1.00 0.00 C ATOM 651 CD1 TYR A 197 7.691 1.863 -4.034 1.00 0.00 C ATOM 652 CD2 TYR A 197 7.708 0.818 -1.891 1.00 0.00 C ATOM 653 CE1 TYR A 197 8.520 2.872 -3.562 1.00 0.00 C ATOM 654 CE2 TYR A 197 8.539 1.825 -1.405 1.00 0.00 C ATOM 655 CZ TYR A 197 8.937 2.845 -2.247 1.00 0.00 C ATOM 656 OH TYR A 197 9.759 3.840 -1.770 1.00 0.00 O ATOM 0 H TYR A 197 5.321 -1.759 -5.309 1.00 0.00 H new ATOM 0 HA TYR A 197 8.075 -1.026 -4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 197 5.703 0.188 -4.475 1.00 0.00 H new ATOM 0 HB3 TYR A 197 5.768 -0.629 -2.926 1.00 0.00 H new ATOM 0 HD1 TYR A 197 7.362 1.883 -5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 197 7.395 0.019 -1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 197 8.835 3.670 -4.218 1.00 0.00 H new ATOM 0 HE2 TYR A 197 8.870 1.808 -0.377 1.00 0.00 H new ATOM 0 HH TYR A 197 9.580 4.673 -2.255 1.00 0.00 H new ATOM 666 N LEU A 198 6.333 -3.163 -2.979 1.00 0.00 N ATOM 667 CA LEU A 198 6.411 -4.274 -2.053 1.00 0.00 C ATOM 668 C LEU A 198 7.551 -5.180 -2.496 1.00 0.00 C ATOM 669 O LEU A 198 8.197 -5.854 -1.695 1.00 0.00 O ATOM 670 CB LEU A 198 5.105 -5.058 -2.123 1.00 0.00 C ATOM 671 CG LEU A 198 4.073 -4.834 -1.013 1.00 0.00 C ATOM 672 CD1 LEU A 198 4.456 -3.694 -0.099 1.00 0.00 C ATOM 673 CD2 LEU A 198 2.719 -4.562 -1.626 1.00 0.00 C ATOM 0 H LEU A 198 5.389 -2.959 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 198 6.579 -3.918 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 198 4.627 -4.827 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 198 5.353 -6.119 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 198 4.037 -5.741 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 198 3.694 -3.574 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 198 5.416 -3.911 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 198 4.535 -2.774 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 198 1.987 -4.403 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 198 2.775 -3.672 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 198 2.417 -5.415 -2.234 1.00 0.00 H new ATOM 685 N LEU A 199 7.758 -5.177 -3.810 1.00 0.00 N ATOM 686 CA LEU A 199 8.781 -5.978 -4.462 1.00 0.00 C ATOM 687 C LEU A 199 10.167 -5.362 -4.283 1.00 0.00 C ATOM 688 O LEU A 199 10.964 -5.824 -3.468 1.00 0.00 O ATOM 689 CB LEU A 199 8.443 -6.093 -5.952 1.00 0.00 C ATOM 690 CG LEU A 199 7.215 -6.948 -6.286 1.00 0.00 C ATOM 691 CD1 LEU A 199 7.439 -7.721 -7.575 1.00 0.00 C ATOM 692 CD2 LEU A 199 6.889 -7.901 -5.146 1.00 0.00 C ATOM 0 H LEU A 199 7.211 -4.610 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 199 8.800 -6.967 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.285 -5.090 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 199 9.306 -6.509 -6.471 1.00 0.00 H new ATOM 0 HG LEU A 199 6.365 -6.279 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 199 6.557 -8.322 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 199 7.616 -7.022 -8.392 1.00 0.00 H new ATOM 0 HD13 LEU A 199 8.304 -8.374 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 199 6.014 -8.496 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 199 7.738 -8.562 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 199 6.681 -7.329 -4.242 1.00 0.00 H new ATOM 704 N THR A 200 10.444 -4.315 -5.056 1.00 0.00 N ATOM 705 CA THR A 200 11.734 -3.632 -4.991 1.00 0.00 C ATOM 706 C THR A 200 12.280 -3.625 -3.568 1.00 0.00 C ATOM 707 O THR A 200 13.376 -4.126 -3.310 1.00 0.00 O ATOM 708 CB THR A 200 11.603 -2.195 -5.498 1.00 0.00 C ATOM 709 OG1 THR A 200 11.182 -1.332 -4.456 1.00 0.00 O ATOM 710 CG2 THR A 200 10.622 -2.045 -6.639 1.00 0.00 C ATOM 0 H THR A 200 9.793 -3.921 -5.735 1.00 0.00 H new ATOM 0 HA THR A 200 12.431 -4.176 -5.628 1.00 0.00 H new ATOM 0 HB THR A 200 12.596 -1.928 -5.859 1.00 0.00 H new ATOM 0 HG1 THR A 200 11.106 -0.417 -4.800 1.00 0.00 H new ATOM 0 HG21 THR A 200 10.580 -1.000 -6.948 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.945 -2.659 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 200 9.633 -2.367 -6.313 1.00 0.00 H new ATOM 718 N GLY A 201 11.512 -3.050 -2.650 1.00 0.00 N ATOM 719 CA GLY A 201 11.934 -2.981 -1.265 1.00 0.00 C ATOM 720 C GLY A 201 11.987 -1.556 -0.753 1.00 0.00 C ATOM 721 O GLY A 201 12.886 -0.798 -1.111 1.00 0.00 O ATOM 0 H GLY A 201 10.603 -2.630 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 201 11.248 -3.561 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 201 12.918 -3.439 -1.164 1.00 0.00 H new ATOM 725 N ILE A 202 11.014 -1.195 0.079 1.00 0.00 N ATOM 726 CA ILE A 202 10.938 0.151 0.641 1.00 0.00 C ATOM 727 C ILE A 202 12.325 0.756 0.830 1.00 0.00 C ATOM 728 O ILE A 202 12.962 0.570 1.866 1.00 0.00 O ATOM 729 CB ILE A 202 10.204 0.152 1.994 1.00 0.00 C ATOM 730 CG1 ILE A 202 8.819 -0.482 1.849 1.00 0.00 C ATOM 731 CG2 ILE A 202 10.088 1.571 2.532 1.00 0.00 C ATOM 732 CD1 ILE A 202 7.918 -0.248 3.041 1.00 0.00 C ATOM 0 H ILE A 202 10.265 -1.818 0.380 1.00 0.00 H new ATOM 0 HA ILE A 202 10.379 0.756 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 202 10.781 -0.440 2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 202 8.338 -0.083 0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 202 8.934 -1.555 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 202 9.567 1.556 3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 202 11.085 1.991 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 202 9.530 2.184 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 202 6.954 -0.726 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 202 8.378 -0.672 3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 202 7.772 0.823 3.182 1.00 0.00 H new ATOM 744 N PRO A 203 12.810 1.493 -0.180 1.00 0.00 N ATOM 745 CA PRO A 203 14.127 2.137 -0.133 1.00 0.00 C ATOM 746 C PRO A 203 14.185 3.260 0.894 1.00 0.00 C ATOM 747 O PRO A 203 15.222 3.501 1.511 1.00 0.00 O ATOM 748 CB PRO A 203 14.302 2.696 -1.546 1.00 0.00 C ATOM 749 CG PRO A 203 12.914 2.869 -2.061 1.00 0.00 C ATOM 750 CD PRO A 203 12.106 1.761 -1.446 1.00 0.00 C ATOM 0 HA PRO A 203 14.910 1.439 0.163 1.00 0.00 H new ATOM 0 HB2 PRO A 203 14.840 3.644 -1.533 1.00 0.00 H new ATOM 0 HB3 PRO A 203 14.875 2.013 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 203 12.513 3.844 -1.785 1.00 0.00 H new ATOM 0 HG3 PRO A 203 12.891 2.812 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO A 203 11.073 2.063 -1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 203 12.079 0.879 -2.086 1.00 0.00 H new ATOM 758 N GLY A 204 13.060 3.944 1.069 1.00 0.00 N ATOM 759 CA GLY A 204 12.998 5.037 2.023 1.00 0.00 C ATOM 760 C GLY A 204 13.999 6.132 1.716 1.00 0.00 C ATOM 761 O GLY A 204 14.130 7.064 2.537 1.00 0.00 O ATOM 762 OXT GLY A 204 14.652 6.059 0.654 1.00 0.00 O ATOM 0 H GLY A 204 12.190 3.762 0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 204 11.993 5.458 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 204 13.183 4.651 3.026 1.00 0.00 H new TER 766 GLY A 204