USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 646 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: B 221 TYR OH : rot -156:sc= 0.347 USER MOD Set 1.2: B 245 THR OG1 : rot 84:sc= 1.48 USER MOD Set 2.1: A 6 TYR OH : rot 170:sc= -1.76! USER MOD Set 2.2: B 212 ASN : amide:sc= -10.7! C(o=-12!,f=-13!) USER MOD Set 3.1: A 21 TYR OH : rot 83:sc= 0.412 USER MOD Set 3.2: A 45 THR OG1 : rot 89:sc= 0.581 USER MOD Set 4.1: A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: B 207 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 11 THR OG1 : rot 141:sc= -2.11! USER MOD Set 5.2: A 18 SER OG : rot 44:sc= 0.946 USER MOD Set 6.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: B 213 ASN : amide:sc= -0.0089 X(o=-0.0089,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -3.27! USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.897 USER MOD Single : A 12 ASN : amide:sc= -8.51! C(o=-8.5!,f=-15!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.55) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 27 MET CE :methyl -178:sc= 0 (180deg=-0.00761) USER MOD Single : A 28 THR OG1 : rot -87:sc= -0.433 USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00984) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.433 F(o=-1.1,f=-0.43) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 THR OG1 : rot 180:sc= -3.45! USER MOD Single : B 206 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 THR OG1 : rot 180:sc= 0 USER MOD Single : B 211 THR OG1 : rot 164:sc= -3.14! USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 ASN :FLIP amide:sc= -0.27 F(o=-1.2,f=-0.27) USER MOD Single : B 218 SER OG : rot 180:sc= 0 USER MOD Single : B 223 THR OG1 : rot 180:sc= 0 USER MOD Single : B 225 THR OG1 : rot 180:sc= -1.27 USER MOD Single : B 227 MET CE :methyl 158:sc= -0.162 (180deg=-0.746) USER MOD Single : B 228 THR OG1 : rot 180:sc= -0.179 USER MOD Single : B 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 244 ASN :FLIP amide:sc= -0.658 F(o=-1.3,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 3 -1.321 -20.268 -6.659 1.00 0.00 N ATOM 26 CA LYS A 3 -0.272 -19.980 -5.696 1.00 0.00 C ATOM 27 C LYS A 3 -0.760 -18.904 -4.722 1.00 0.00 C ATOM 28 O LYS A 3 -1.801 -18.287 -4.945 1.00 0.00 O ATOM 29 CB LYS A 3 1.029 -19.615 -6.413 1.00 0.00 C ATOM 30 CG LYS A 3 1.741 -20.868 -6.928 1.00 0.00 C ATOM 31 CD LYS A 3 0.732 -21.924 -7.381 1.00 0.00 C ATOM 32 CE LYS A 3 1.439 -23.110 -8.040 1.00 0.00 C ATOM 33 NZ LYS A 3 0.727 -24.373 -7.734 1.00 0.00 N ATOM 0 HA LYS A 3 -0.045 -20.867 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.814 -18.946 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.685 -19.074 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.394 -20.604 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.375 -21.279 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.154 -22.271 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.026 -21.480 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.482 -22.962 -9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.468 -23.170 -7.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.220 -25.168 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.708 -24.520 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.247 -24.318 -8.094 1.00 0.00 H new ATOM 47 N ALA A 4 0.015 -18.713 -3.665 1.00 0.00 N ATOM 48 CA ALA A 4 -0.326 -17.722 -2.657 1.00 0.00 C ATOM 49 C ALA A 4 0.621 -16.527 -2.783 1.00 0.00 C ATOM 50 O ALA A 4 1.710 -16.530 -2.211 1.00 0.00 O ATOM 51 CB ALA A 4 -0.271 -18.366 -1.271 1.00 0.00 C ATOM 0 H ALA A 4 0.877 -19.227 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.341 -17.355 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.526 -17.624 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.982 -19.191 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.735 -18.743 -1.085 1.00 0.00 H new ATOM 57 N THR A 5 0.172 -15.534 -3.535 1.00 0.00 N ATOM 58 CA THR A 5 0.965 -14.334 -3.744 1.00 0.00 C ATOM 59 C THR A 5 0.066 -13.096 -3.763 1.00 0.00 C ATOM 60 O THR A 5 -1.133 -13.199 -4.019 1.00 0.00 O ATOM 61 CB THR A 5 1.772 -14.518 -5.030 1.00 0.00 C ATOM 62 OG1 THR A 5 0.784 -14.753 -6.029 1.00 0.00 O ATOM 63 CG2 THR A 5 2.604 -15.802 -5.021 1.00 0.00 C ATOM 0 H THR A 5 -0.732 -15.535 -4.008 1.00 0.00 H new ATOM 0 HA THR A 5 1.665 -14.176 -2.924 1.00 0.00 H new ATOM 0 HB THR A 5 2.429 -13.660 -5.171 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.221 -14.882 -6.897 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.157 -15.884 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.305 -15.776 -4.186 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.944 -16.663 -4.914 1.00 0.00 H new ATOM 71 N TYR A 6 0.678 -11.955 -3.488 1.00 0.00 N ATOM 72 CA TYR A 6 -0.051 -10.698 -3.470 1.00 0.00 C ATOM 73 C TYR A 6 0.690 -9.622 -4.265 1.00 0.00 C ATOM 74 O TYR A 6 1.911 -9.509 -4.174 1.00 0.00 O ATOM 75 CB TYR A 6 -0.123 -10.273 -2.002 1.00 0.00 C ATOM 76 CG TYR A 6 -1.361 -10.786 -1.265 1.00 0.00 C ATOM 77 CD1 TYR A 6 -1.564 -12.143 -1.118 1.00 0.00 C ATOM 78 CD2 TYR A 6 -2.275 -9.892 -0.746 1.00 0.00 C ATOM 79 CE1 TYR A 6 -2.730 -12.627 -0.424 1.00 0.00 C ATOM 80 CE2 TYR A 6 -3.441 -10.375 -0.052 1.00 0.00 C ATOM 81 CZ TYR A 6 -3.610 -11.719 0.075 1.00 0.00 C ATOM 82 OH TYR A 6 -4.711 -12.175 0.730 1.00 0.00 O ATOM 0 H TYR A 6 1.672 -11.874 -3.275 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.037 -10.820 -3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.768 -10.631 -1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.106 -9.184 -1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.848 -12.843 -1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.116 -8.830 -0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.901 -13.686 -0.303 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.165 -9.686 0.358 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.166 -11.425 1.167 1.00 0.00 H new ATOM 92 N THR A 7 -0.080 -8.859 -5.026 1.00 0.00 N ATOM 93 CA THR A 7 0.489 -7.795 -5.838 1.00 0.00 C ATOM 94 C THR A 7 0.058 -6.428 -5.301 1.00 0.00 C ATOM 95 O THR A 7 -1.127 -6.098 -5.311 1.00 0.00 O ATOM 96 CB THR A 7 0.075 -8.036 -7.290 1.00 0.00 C ATOM 97 OG1 THR A 7 0.428 -9.396 -7.531 1.00 0.00 O ATOM 98 CG2 THR A 7 0.934 -7.247 -8.282 1.00 0.00 C ATOM 0 H THR A 7 -1.093 -8.956 -5.098 1.00 0.00 H new ATOM 0 HA THR A 7 1.578 -7.799 -5.791 1.00 0.00 H new ATOM 0 HB THR A 7 -0.972 -7.763 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.192 -9.637 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.599 -7.454 -9.298 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.838 -6.181 -8.078 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.977 -7.544 -8.177 1.00 0.00 H new ATOM 106 N VAL A 8 1.044 -5.669 -4.847 1.00 0.00 N ATOM 107 CA VAL A 8 0.782 -4.345 -4.308 1.00 0.00 C ATOM 108 C VAL A 8 1.305 -3.289 -5.285 1.00 0.00 C ATOM 109 O VAL A 8 2.430 -3.391 -5.771 1.00 0.00 O ATOM 110 CB VAL A 8 1.391 -4.220 -2.910 1.00 0.00 C ATOM 111 CG1 VAL A 8 1.283 -2.783 -2.392 1.00 0.00 C ATOM 112 CG2 VAL A 8 0.738 -5.203 -1.938 1.00 0.00 C ATOM 0 H VAL A 8 2.026 -5.945 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.290 -4.182 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 8 2.449 -4.472 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.723 -2.721 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.815 -2.112 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.234 -2.492 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.189 -5.093 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.330 -4.996 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.889 -6.222 -2.295 1.00 0.00 H new ATOM 122 N THR A 9 0.463 -2.299 -5.543 1.00 0.00 N ATOM 123 CA THR A 9 0.826 -1.226 -6.452 1.00 0.00 C ATOM 124 C THR A 9 0.618 0.133 -5.784 1.00 0.00 C ATOM 125 O THR A 9 -0.425 0.379 -5.180 1.00 0.00 O ATOM 126 CB THR A 9 0.014 -1.402 -7.738 1.00 0.00 C ATOM 127 OG1 THR A 9 0.406 -2.682 -8.224 1.00 0.00 O ATOM 128 CG2 THR A 9 0.450 -0.436 -8.842 1.00 0.00 C ATOM 0 H THR A 9 -0.470 -2.218 -5.138 1.00 0.00 H new ATOM 0 HA THR A 9 1.884 -1.267 -6.709 1.00 0.00 H new ATOM 0 HB THR A 9 -1.044 -1.254 -7.522 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.074 -2.877 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.157 -0.602 -9.732 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.319 0.591 -8.500 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.499 -0.607 -9.082 1.00 0.00 H new ATOM 136 N VAL A 10 1.628 0.982 -5.913 1.00 0.00 N ATOM 137 CA VAL A 10 1.568 2.310 -5.327 1.00 0.00 C ATOM 138 C VAL A 10 1.845 3.353 -6.412 1.00 0.00 C ATOM 139 O VAL A 10 2.883 3.309 -7.072 1.00 0.00 O ATOM 140 CB VAL A 10 2.536 2.405 -4.146 1.00 0.00 C ATOM 141 CG1 VAL A 10 3.011 3.845 -3.941 1.00 0.00 C ATOM 142 CG2 VAL A 10 1.900 1.850 -2.870 1.00 0.00 C ATOM 0 H VAL A 10 2.492 0.776 -6.415 1.00 0.00 H new ATOM 0 HA VAL A 10 0.572 2.509 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 10 3.409 1.794 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.698 3.885 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.521 4.191 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.153 4.486 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.609 1.929 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.002 2.421 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.635 0.804 -3.021 1.00 0.00 H new ATOM 152 N THR A 11 0.899 4.268 -6.563 1.00 0.00 N ATOM 153 CA THR A 11 1.027 5.321 -7.557 1.00 0.00 C ATOM 154 C THR A 11 0.849 6.693 -6.906 1.00 0.00 C ATOM 155 O THR A 11 -0.001 6.865 -6.034 1.00 0.00 O ATOM 156 CB THR A 11 0.018 5.042 -8.673 1.00 0.00 C ATOM 157 OG1 THR A 11 0.444 3.799 -9.224 1.00 0.00 O ATOM 158 CG2 THR A 11 0.146 6.029 -9.837 1.00 0.00 C ATOM 0 H THR A 11 0.040 4.302 -6.014 1.00 0.00 H new ATOM 0 HA THR A 11 2.025 5.332 -7.996 1.00 0.00 H new ATOM 0 HB THR A 11 -0.993 5.086 -8.268 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.339 3.252 -9.442 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.592 5.787 -10.602 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.025 7.043 -9.475 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.147 5.960 -10.264 1.00 0.00 H new ATOM 166 N ASN A 12 1.665 7.636 -7.354 1.00 0.00 N ATOM 167 CA ASN A 12 1.608 8.989 -6.826 1.00 0.00 C ATOM 168 C ASN A 12 0.864 9.887 -7.815 1.00 0.00 C ATOM 169 O ASN A 12 1.440 10.341 -8.803 1.00 0.00 O ATOM 170 CB ASN A 12 3.012 9.562 -6.631 1.00 0.00 C ATOM 171 CG ASN A 12 3.965 9.068 -7.722 1.00 0.00 C ATOM 172 OD1 ASN A 12 4.425 9.817 -8.566 1.00 0.00 O ATOM 173 ND2 ASN A 12 4.231 7.766 -7.657 1.00 0.00 N ATOM 0 H ASN A 12 2.370 7.490 -8.077 1.00 0.00 H new ATOM 0 HA ASN A 12 1.095 8.955 -5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.969 10.651 -6.647 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.394 9.272 -5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.855 7.338 -8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.811 7.196 -6.923 1.00 0.00 H new ATOM 180 N ASN A 13 -0.407 10.117 -7.516 1.00 0.00 N ATOM 181 CA ASN A 13 -1.236 10.953 -8.367 1.00 0.00 C ATOM 182 C ASN A 13 -0.610 12.345 -8.474 1.00 0.00 C ATOM 183 O ASN A 13 -0.969 13.126 -9.354 1.00 0.00 O ATOM 184 CB ASN A 13 -2.641 11.112 -7.783 1.00 0.00 C ATOM 185 CG ASN A 13 -3.679 10.400 -8.653 1.00 0.00 C ATOM 186 OD1 ASN A 13 -4.139 10.913 -9.660 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.023 9.195 -8.209 1.00 0.00 N ATOM 0 H ASN A 13 -0.882 9.739 -6.696 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.303 10.476 -9.345 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.667 10.705 -6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.890 12.171 -7.707 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.711 8.641 -8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.599 8.825 -7.358 1.00 0.00 H new ATOM 194 N SER A 14 0.317 12.613 -7.566 1.00 0.00 N ATOM 195 CA SER A 14 0.997 13.897 -7.547 1.00 0.00 C ATOM 196 C SER A 14 1.955 14.000 -8.736 1.00 0.00 C ATOM 197 O SER A 14 2.121 15.074 -9.312 1.00 0.00 O ATOM 198 CB SER A 14 1.757 14.099 -6.234 1.00 0.00 C ATOM 199 OG SER A 14 2.060 15.470 -5.997 1.00 0.00 O ATOM 0 H SER A 14 0.613 11.963 -6.838 1.00 0.00 H new ATOM 0 HA SER A 14 0.246 14.683 -7.625 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.161 13.711 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.682 13.523 -6.258 1.00 0.00 H new ATOM 0 HG SER A 14 2.544 15.556 -5.149 1.00 0.00 H new ATOM 205 N ASN A 15 2.559 12.868 -9.068 1.00 0.00 N ATOM 206 CA ASN A 15 3.495 12.818 -10.177 1.00 0.00 C ATOM 207 C ASN A 15 2.897 11.975 -11.306 1.00 0.00 C ATOM 208 O ASN A 15 3.425 11.952 -12.416 1.00 0.00 O ATOM 209 CB ASN A 15 4.816 12.173 -9.754 1.00 0.00 C ATOM 210 CG ASN A 15 6.010 12.996 -10.244 1.00 0.00 C ATOM 211 OD1 ASN A 15 6.021 14.214 -10.188 1.00 0.00 O ATOM 212 ND2 ASN A 15 7.010 12.264 -10.726 1.00 0.00 N ATOM 0 H ASN A 15 2.418 11.979 -8.588 1.00 0.00 H new ATOM 0 HA ASN A 15 3.682 13.840 -10.507 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.851 12.086 -8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 15 4.877 11.162 -10.157 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.852 12.720 -11.078 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.935 11.247 -10.744 1.00 0.00 H new ATOM 219 N GLY A 16 1.802 11.301 -10.982 1.00 0.00 N ATOM 220 CA GLY A 16 1.127 10.458 -11.953 1.00 0.00 C ATOM 221 C GLY A 16 1.937 9.192 -12.238 1.00 0.00 C ATOM 222 O GLY A 16 1.636 8.456 -13.176 1.00 0.00 O ATOM 0 H GLY A 16 1.366 11.322 -10.060 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.140 10.186 -11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.976 11.013 -12.879 1.00 0.00 H new ATOM 226 N VAL A 17 2.949 8.976 -11.410 1.00 0.00 N ATOM 227 CA VAL A 17 3.805 7.812 -11.560 1.00 0.00 C ATOM 228 C VAL A 17 3.207 6.641 -10.777 1.00 0.00 C ATOM 229 O VAL A 17 2.614 6.837 -9.717 1.00 0.00 O ATOM 230 CB VAL A 17 5.233 8.152 -11.130 1.00 0.00 C ATOM 231 CG1 VAL A 17 6.113 6.902 -11.116 1.00 0.00 C ATOM 232 CG2 VAL A 17 5.833 9.235 -12.029 1.00 0.00 C ATOM 0 H VAL A 17 3.195 9.588 -10.632 1.00 0.00 H new ATOM 0 HA VAL A 17 3.859 7.510 -12.606 1.00 0.00 H new ATOM 0 HB VAL A 17 5.193 8.545 -10.114 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.123 7.171 -10.807 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.701 6.175 -10.416 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.143 6.467 -12.115 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.848 9.458 -11.702 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.853 8.882 -13.060 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.225 10.138 -11.967 1.00 0.00 H new ATOM 242 N SER A 18 3.385 5.449 -11.328 1.00 0.00 N ATOM 243 CA SER A 18 2.871 4.247 -10.694 1.00 0.00 C ATOM 244 C SER A 18 4.019 3.280 -10.397 1.00 0.00 C ATOM 245 O SER A 18 5.090 3.381 -10.994 1.00 0.00 O ATOM 246 CB SER A 18 1.818 3.568 -11.573 1.00 0.00 C ATOM 247 OG SER A 18 1.340 2.357 -10.994 1.00 0.00 O ATOM 0 H SER A 18 3.878 5.290 -12.207 1.00 0.00 H new ATOM 0 HA SER A 18 2.393 4.532 -9.757 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.982 4.250 -11.729 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.245 3.357 -12.553 1.00 0.00 H new ATOM 0 HG SER A 18 1.174 2.495 -10.038 1.00 0.00 H new ATOM 253 N VAL A 19 3.757 2.365 -9.476 1.00 0.00 N ATOM 254 CA VAL A 19 4.755 1.381 -9.093 1.00 0.00 C ATOM 255 C VAL A 19 4.052 0.130 -8.563 1.00 0.00 C ATOM 256 O VAL A 19 3.251 0.210 -7.634 1.00 0.00 O ATOM 257 CB VAL A 19 5.731 1.991 -8.086 1.00 0.00 C ATOM 258 CG1 VAL A 19 6.328 0.913 -7.179 1.00 0.00 C ATOM 259 CG2 VAL A 19 6.831 2.781 -8.798 1.00 0.00 C ATOM 0 H VAL A 19 2.868 2.284 -8.983 1.00 0.00 H new ATOM 0 HA VAL A 19 5.347 1.080 -9.957 1.00 0.00 H new ATOM 0 HB VAL A 19 5.174 2.686 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.018 1.373 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.528 0.414 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.863 0.183 -7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.511 3.204 -8.059 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.384 2.117 -9.462 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.382 3.585 -9.381 1.00 0.00 H new ATOM 269 N ASP A 20 4.380 -0.998 -9.177 1.00 0.00 N ATOM 270 CA ASP A 20 3.791 -2.266 -8.778 1.00 0.00 C ATOM 271 C ASP A 20 4.898 -3.214 -8.315 1.00 0.00 C ATOM 272 O ASP A 20 5.974 -3.256 -8.910 1.00 0.00 O ATOM 273 CB ASP A 20 3.062 -2.927 -9.949 1.00 0.00 C ATOM 274 CG ASP A 20 2.862 -2.032 -11.175 1.00 0.00 C ATOM 275 OD1 ASP A 20 2.649 -0.819 -10.963 1.00 0.00 O ATOM 276 OD2 ASP A 20 2.929 -2.583 -12.295 1.00 0.00 O ATOM 0 H ASP A 20 5.046 -1.060 -9.947 1.00 0.00 H new ATOM 0 HA ASP A 20 3.080 -2.070 -7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.621 -3.813 -10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.086 -3.268 -9.604 1.00 0.00 H new ATOM 281 N TYR A 21 4.596 -3.953 -7.257 1.00 0.00 N ATOM 282 CA TYR A 21 5.553 -4.899 -6.708 1.00 0.00 C ATOM 283 C TYR A 21 4.856 -6.185 -6.259 1.00 0.00 C ATOM 284 O TYR A 21 3.879 -6.139 -5.513 1.00 0.00 O ATOM 285 CB TYR A 21 6.168 -4.214 -5.486 1.00 0.00 C ATOM 286 CG TYR A 21 7.559 -3.629 -5.735 1.00 0.00 C ATOM 287 CD1 TYR A 21 7.720 -2.586 -6.626 1.00 0.00 C ATOM 288 CD2 TYR A 21 8.654 -4.143 -5.070 1.00 0.00 C ATOM 289 CE1 TYR A 21 9.030 -2.036 -6.861 1.00 0.00 C ATOM 290 CE2 TYR A 21 9.964 -3.593 -5.306 1.00 0.00 C ATOM 291 CZ TYR A 21 10.087 -2.566 -6.189 1.00 0.00 C ATOM 292 OH TYR A 21 11.324 -2.047 -6.412 1.00 0.00 O ATOM 0 H TYR A 21 3.703 -3.916 -6.766 1.00 0.00 H new ATOM 0 HA TYR A 21 6.298 -5.169 -7.456 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.503 -3.416 -5.157 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.229 -4.935 -4.671 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.864 -2.183 -7.146 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.528 -4.958 -4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 21 9.170 -1.221 -7.555 1.00 0.00 H new ATOM 0 HE2 TYR A 21 10.829 -3.987 -4.793 1.00 0.00 H new ATOM 0 HH TYR A 21 11.448 -1.248 -5.859 1.00 0.00 H new ATOM 302 N GLU A 22 5.386 -7.303 -6.733 1.00 0.00 N ATOM 303 CA GLU A 22 4.827 -8.600 -6.391 1.00 0.00 C ATOM 304 C GLU A 22 5.439 -9.114 -5.086 1.00 0.00 C ATOM 305 O GLU A 22 6.629 -9.419 -5.032 1.00 0.00 O ATOM 306 CB GLU A 22 5.035 -9.604 -7.526 1.00 0.00 C ATOM 307 CG GLU A 22 4.559 -11.000 -7.118 1.00 0.00 C ATOM 308 CD GLU A 22 5.012 -12.052 -8.132 1.00 0.00 C ATOM 309 OE1 GLU A 22 4.498 -12.002 -9.270 1.00 0.00 O ATOM 310 OE2 GLU A 22 5.863 -12.882 -7.746 1.00 0.00 O ATOM 0 H GLU A 22 6.197 -7.338 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 22 3.753 -8.484 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.491 -9.275 -8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.091 -9.640 -7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.951 -11.248 -6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.472 -11.009 -7.040 1.00 0.00 H new ATOM 317 N THR A 23 4.597 -9.192 -4.065 1.00 0.00 N ATOM 318 CA THR A 23 5.040 -9.663 -2.765 1.00 0.00 C ATOM 319 C THR A 23 4.001 -10.608 -2.158 1.00 0.00 C ATOM 320 O THR A 23 2.870 -10.206 -1.891 1.00 0.00 O ATOM 321 CB THR A 23 5.331 -8.441 -1.892 1.00 0.00 C ATOM 322 OG1 THR A 23 6.029 -8.972 -0.769 1.00 0.00 O ATOM 323 CG2 THR A 23 4.061 -7.836 -1.290 1.00 0.00 C ATOM 0 H THR A 23 3.611 -8.937 -4.113 1.00 0.00 H new ATOM 0 HA THR A 23 5.957 -10.247 -2.848 1.00 0.00 H new ATOM 0 HB THR A 23 5.847 -7.686 -2.486 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.258 -8.245 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.324 -6.972 -0.680 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.391 -7.524 -2.091 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.562 -8.580 -0.670 1.00 0.00 H new ATOM 331 N GLU A 24 4.423 -11.848 -1.956 1.00 0.00 N ATOM 332 CA GLU A 24 3.544 -12.855 -1.385 1.00 0.00 C ATOM 333 C GLU A 24 3.650 -12.849 0.140 1.00 0.00 C ATOM 334 O GLU A 24 4.553 -13.464 0.706 1.00 0.00 O ATOM 335 CB GLU A 24 3.856 -14.241 -1.951 1.00 0.00 C ATOM 336 CG GLU A 24 5.306 -14.636 -1.667 1.00 0.00 C ATOM 337 CD GLU A 24 6.030 -15.036 -2.954 1.00 0.00 C ATOM 338 OE1 GLU A 24 5.897 -14.277 -3.939 1.00 0.00 O ATOM 339 OE2 GLU A 24 6.699 -16.091 -2.925 1.00 0.00 O ATOM 0 H GLU A 24 5.362 -12.178 -2.178 1.00 0.00 H new ATOM 0 HA GLU A 24 2.518 -12.610 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.182 -14.977 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.678 -14.247 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.828 -13.803 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.328 -15.466 -0.961 1.00 0.00 H new ATOM 346 N THR A 25 2.716 -12.147 0.765 1.00 0.00 N ATOM 347 CA THR A 25 2.694 -12.054 2.215 1.00 0.00 C ATOM 348 C THR A 25 1.287 -12.336 2.746 1.00 0.00 C ATOM 349 O THR A 25 0.350 -11.591 2.461 1.00 0.00 O ATOM 350 CB THR A 25 3.224 -10.674 2.608 1.00 0.00 C ATOM 351 OG1 THR A 25 2.528 -9.775 1.747 1.00 0.00 O ATOM 352 CG2 THR A 25 4.696 -10.484 2.232 1.00 0.00 C ATOM 0 H THR A 25 1.969 -11.637 0.294 1.00 0.00 H new ATOM 0 HA THR A 25 3.337 -12.808 2.669 1.00 0.00 H new ATOM 0 HB THR A 25 3.101 -10.531 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.811 -8.856 1.936 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.023 -9.489 2.533 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.301 -11.234 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.813 -10.594 1.154 1.00 0.00 H new ATOM 360 N PRO A 26 1.180 -13.443 3.529 1.00 0.00 N ATOM 361 CA PRO A 26 -0.096 -13.834 4.102 1.00 0.00 C ATOM 362 C PRO A 26 -0.472 -12.926 5.275 1.00 0.00 C ATOM 363 O PRO A 26 -1.150 -11.917 5.091 1.00 0.00 O ATOM 364 CB PRO A 26 0.084 -15.287 4.510 1.00 0.00 C ATOM 365 CG PRO A 26 1.584 -15.518 4.577 1.00 0.00 C ATOM 366 CD PRO A 26 2.268 -14.348 3.887 1.00 0.00 C ATOM 0 HA PRO A 26 -0.922 -13.731 3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.385 -15.483 5.474 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.382 -15.956 3.787 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.912 -15.595 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.848 -16.456 4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.986 -13.863 4.548 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.818 -14.675 3.005 1.00 0.00 H new ATOM 374 N MET A 27 -0.012 -13.317 6.455 1.00 0.00 N ATOM 375 CA MET A 27 -0.292 -12.550 7.658 1.00 0.00 C ATOM 376 C MET A 27 0.542 -11.268 7.696 1.00 0.00 C ATOM 377 O MET A 27 0.123 -10.269 8.279 1.00 0.00 O ATOM 378 CB MET A 27 0.023 -13.402 8.890 1.00 0.00 C ATOM 379 CG MET A 27 -0.450 -14.844 8.695 1.00 0.00 C ATOM 380 SD MET A 27 -2.047 -14.860 7.897 1.00 0.00 S ATOM 381 CE MET A 27 -3.073 -14.296 9.245 1.00 0.00 C ATOM 0 H MET A 27 0.552 -14.154 6.604 1.00 0.00 H new ATOM 0 HA MET A 27 -1.347 -12.275 7.655 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.096 -13.390 9.080 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.461 -12.972 9.767 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.273 -15.394 8.092 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.511 -15.349 9.659 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.116 -14.282 8.927 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.962 -14.970 10.094 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.769 -13.291 9.538 1.00 0.00 H new ATOM 391 N THR A 28 1.707 -11.339 7.069 1.00 0.00 N ATOM 392 CA THR A 28 2.604 -10.197 7.026 1.00 0.00 C ATOM 393 C THR A 28 1.855 -8.950 6.548 1.00 0.00 C ATOM 394 O THR A 28 2.212 -7.830 6.910 1.00 0.00 O ATOM 395 CB THR A 28 3.797 -10.565 6.141 1.00 0.00 C ATOM 396 OG1 THR A 28 3.471 -11.859 5.643 1.00 0.00 O ATOM 397 CG2 THR A 28 5.077 -10.787 6.949 1.00 0.00 C ATOM 0 H THR A 28 2.050 -12.170 6.587 1.00 0.00 H new ATOM 0 HA THR A 28 2.981 -9.952 8.019 1.00 0.00 H new ATOM 0 HB THR A 28 3.964 -9.776 5.407 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.776 -12.540 6.278 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.893 -11.046 6.274 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.329 -9.875 7.490 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.923 -11.599 7.659 1.00 0.00 H new ATOM 405 N LEU A 29 0.831 -9.187 5.740 1.00 0.00 N ATOM 406 CA LEU A 29 0.029 -8.098 5.210 1.00 0.00 C ATOM 407 C LEU A 29 -0.558 -7.290 6.368 1.00 0.00 C ATOM 408 O LEU A 29 -0.688 -6.070 6.276 1.00 0.00 O ATOM 409 CB LEU A 29 -1.024 -8.633 4.237 1.00 0.00 C ATOM 410 CG LEU A 29 -0.539 -8.916 2.814 1.00 0.00 C ATOM 411 CD1 LEU A 29 -1.520 -9.827 2.073 1.00 0.00 C ATOM 412 CD2 LEU A 29 -0.279 -7.615 2.053 1.00 0.00 C ATOM 0 H LEU A 29 0.539 -10.117 5.440 1.00 0.00 H new ATOM 0 HA LEU A 29 0.650 -7.416 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.436 -9.554 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.841 -7.913 4.185 1.00 0.00 H new ATOM 0 HG LEU A 29 0.411 -9.447 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.152 -10.013 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.611 -10.773 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.496 -9.344 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.065 -7.846 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.200 -7.035 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.484 -7.036 2.573 1.00 0.00 H new ATOM 424 N LEU A 30 -0.896 -8.002 7.433 1.00 0.00 N ATOM 425 CA LEU A 30 -1.466 -7.367 8.609 1.00 0.00 C ATOM 426 C LEU A 30 -0.338 -6.805 9.477 1.00 0.00 C ATOM 427 O LEU A 30 -0.556 -5.886 10.265 1.00 0.00 O ATOM 428 CB LEU A 30 -2.387 -8.339 9.349 1.00 0.00 C ATOM 429 CG LEU A 30 -3.314 -9.183 8.473 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.290 -9.993 9.330 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.039 -8.314 7.445 1.00 0.00 C ATOM 0 H LEU A 30 -0.786 -9.013 7.506 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.096 -6.525 8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.769 -9.012 9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.999 -7.768 10.047 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.704 -9.896 7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.938 -10.584 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.731 -10.657 9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.897 -9.315 9.929 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.691 -8.939 6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.636 -7.562 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.307 -7.821 6.805 1.00 0.00 H new ATOM 443 N VAL A 31 0.842 -7.382 9.304 1.00 0.00 N ATOM 444 CA VAL A 31 2.004 -6.950 10.062 1.00 0.00 C ATOM 445 C VAL A 31 2.346 -5.507 9.686 1.00 0.00 C ATOM 446 O VAL A 31 2.360 -5.155 8.507 1.00 0.00 O ATOM 447 CB VAL A 31 3.167 -7.919 9.834 1.00 0.00 C ATOM 448 CG1 VAL A 31 4.448 -7.400 10.490 1.00 0.00 C ATOM 449 CG2 VAL A 31 2.820 -9.320 10.339 1.00 0.00 C ATOM 0 H VAL A 31 1.018 -8.145 8.650 1.00 0.00 H new ATOM 0 HA VAL A 31 1.790 -6.965 11.131 1.00 0.00 H new ATOM 0 HB VAL A 31 3.344 -7.985 8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.259 -8.106 10.314 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.710 -6.432 10.062 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.289 -7.291 11.563 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.663 -9.989 10.165 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.604 -9.279 11.407 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.945 -9.693 9.806 1.00 0.00 H new ATOM 459 N PRO A 32 2.619 -4.688 10.737 1.00 0.00 N ATOM 460 CA PRO A 32 2.960 -3.291 10.530 1.00 0.00 C ATOM 461 C PRO A 32 4.389 -3.148 10.000 1.00 0.00 C ATOM 462 O PRO A 32 4.640 -2.363 9.087 1.00 0.00 O ATOM 463 CB PRO A 32 2.758 -2.632 11.884 1.00 0.00 C ATOM 464 CG PRO A 32 2.763 -3.760 12.902 1.00 0.00 C ATOM 465 CD PRO A 32 2.612 -5.070 12.146 1.00 0.00 C ATOM 0 HA PRO A 32 2.337 -2.813 9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.552 -1.915 12.092 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.817 -2.083 11.914 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.691 -3.754 13.474 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.948 -3.634 13.615 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.428 -5.755 12.374 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.685 -5.577 12.414 1.00 0.00 H new ATOM 473 N GLU A 33 5.286 -3.918 10.599 1.00 0.00 N ATOM 474 CA GLU A 33 6.683 -3.887 10.200 1.00 0.00 C ATOM 475 C GLU A 33 6.821 -4.249 8.720 1.00 0.00 C ATOM 476 O GLU A 33 7.656 -3.686 8.014 1.00 0.00 O ATOM 477 CB GLU A 33 7.523 -4.821 11.072 1.00 0.00 C ATOM 478 CG GLU A 33 7.093 -4.736 12.539 1.00 0.00 C ATOM 479 CD GLU A 33 8.224 -5.177 13.469 1.00 0.00 C ATOM 480 OE1 GLU A 33 9.358 -4.698 13.251 1.00 0.00 O ATOM 481 OE2 GLU A 33 7.930 -5.985 14.377 1.00 0.00 O ATOM 0 H GLU A 33 5.073 -4.566 11.357 1.00 0.00 H new ATOM 0 HA GLU A 33 7.058 -2.874 10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.419 -5.847 10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.577 -4.558 10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.800 -3.713 12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.218 -5.365 12.702 1.00 0.00 H new ATOM 488 N VAL A 34 5.989 -5.187 8.292 1.00 0.00 N ATOM 489 CA VAL A 34 6.006 -5.631 6.909 1.00 0.00 C ATOM 490 C VAL A 34 5.217 -4.641 6.050 1.00 0.00 C ATOM 491 O VAL A 34 5.663 -4.257 4.970 1.00 0.00 O ATOM 492 CB VAL A 34 5.477 -7.063 6.812 1.00 0.00 C ATOM 493 CG1 VAL A 34 5.428 -7.532 5.357 1.00 0.00 C ATOM 494 CG2 VAL A 34 6.314 -8.016 7.667 1.00 0.00 C ATOM 0 H VAL A 34 5.298 -5.652 8.880 1.00 0.00 H new ATOM 0 HA VAL A 34 7.027 -5.650 6.527 1.00 0.00 H new ATOM 0 HB VAL A 34 4.459 -7.071 7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.048 -8.553 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.770 -6.877 4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.431 -7.501 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.916 -9.027 7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.348 -8.002 7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.275 -7.699 8.709 1.00 0.00 H new ATOM 504 N ALA A 35 4.056 -4.258 6.562 1.00 0.00 N ATOM 505 CA ALA A 35 3.200 -3.322 5.855 1.00 0.00 C ATOM 506 C ALA A 35 3.931 -1.986 5.699 1.00 0.00 C ATOM 507 O ALA A 35 3.944 -1.406 4.615 1.00 0.00 O ATOM 508 CB ALA A 35 1.874 -3.176 6.605 1.00 0.00 C ATOM 0 H ALA A 35 3.689 -4.579 7.458 1.00 0.00 H new ATOM 0 HA ALA A 35 2.971 -3.692 4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.231 -2.473 6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.380 -4.146 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.064 -2.804 7.612 1.00 0.00 H new ATOM 514 N ALA A 36 4.521 -1.539 6.798 1.00 0.00 N ATOM 515 CA ALA A 36 5.252 -0.283 6.797 1.00 0.00 C ATOM 516 C ALA A 36 6.390 -0.362 5.776 1.00 0.00 C ATOM 517 O ALA A 36 6.560 0.543 4.961 1.00 0.00 O ATOM 518 CB ALA A 36 5.757 0.015 8.210 1.00 0.00 C ATOM 0 H ALA A 36 4.508 -2.024 7.695 1.00 0.00 H new ATOM 0 HA ALA A 36 4.601 0.540 6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.305 0.957 8.209 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.909 0.089 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.417 -0.788 8.538 1.00 0.00 H new ATOM 524 N GLU A 37 7.138 -1.453 5.853 1.00 0.00 N ATOM 525 CA GLU A 37 8.254 -1.662 4.947 1.00 0.00 C ATOM 526 C GLU A 37 7.755 -1.746 3.503 1.00 0.00 C ATOM 527 O GLU A 37 8.440 -1.309 2.579 1.00 0.00 O ATOM 528 CB GLU A 37 9.044 -2.914 5.329 1.00 0.00 C ATOM 529 CG GLU A 37 10.124 -2.587 6.362 1.00 0.00 C ATOM 530 CD GLU A 37 11.353 -3.479 6.171 1.00 0.00 C ATOM 531 OE1 GLU A 37 11.316 -4.615 6.690 1.00 0.00 O ATOM 532 OE2 GLU A 37 12.303 -3.004 5.511 1.00 0.00 O ATOM 0 H GLU A 37 6.993 -2.202 6.530 1.00 0.00 H new ATOM 0 HA GLU A 37 8.929 -0.810 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.367 -3.667 5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.505 -3.343 4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.413 -1.540 6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.724 -2.723 7.367 1.00 0.00 H new ATOM 539 N VAL A 38 6.567 -2.314 3.353 1.00 0.00 N ATOM 540 CA VAL A 38 5.970 -2.461 2.037 1.00 0.00 C ATOM 541 C VAL A 38 5.558 -1.086 1.511 1.00 0.00 C ATOM 542 O VAL A 38 5.921 -0.708 0.398 1.00 0.00 O ATOM 543 CB VAL A 38 4.804 -3.452 2.100 1.00 0.00 C ATOM 544 CG1 VAL A 38 3.620 -2.957 1.266 1.00 0.00 C ATOM 545 CG2 VAL A 38 5.245 -4.847 1.655 1.00 0.00 C ATOM 0 H VAL A 38 6.003 -2.678 4.121 1.00 0.00 H new ATOM 0 HA VAL A 38 6.693 -2.874 1.333 1.00 0.00 H new ATOM 0 HB VAL A 38 4.477 -3.521 3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.805 -3.678 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.282 -1.994 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.929 -2.845 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.398 -5.531 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.611 -4.803 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.041 -5.203 2.309 1.00 0.00 H new ATOM 555 N ILE A 39 4.804 -0.374 2.335 1.00 0.00 N ATOM 556 CA ILE A 39 4.338 0.953 1.967 1.00 0.00 C ATOM 557 C ILE A 39 5.544 1.859 1.710 1.00 0.00 C ATOM 558 O ILE A 39 5.562 2.613 0.739 1.00 0.00 O ATOM 559 CB ILE A 39 3.375 1.496 3.025 1.00 0.00 C ATOM 560 CG1 ILE A 39 2.099 0.654 3.088 1.00 0.00 C ATOM 561 CG2 ILE A 39 3.074 2.976 2.784 1.00 0.00 C ATOM 562 CD1 ILE A 39 1.428 0.571 1.715 1.00 0.00 C ATOM 0 H ILE A 39 4.504 -0.691 3.257 1.00 0.00 H new ATOM 0 HA ILE A 39 3.766 0.912 1.040 1.00 0.00 H new ATOM 0 HB ILE A 39 3.859 1.421 3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.338 -0.349 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.407 1.089 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.387 3.337 3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.001 3.548 2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.619 3.099 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.524 -0.033 1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.168 1.574 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.114 0.113 1.002 1.00 0.00 H new ATOM 574 N LYS A 40 6.522 1.754 2.598 1.00 0.00 N ATOM 575 CA LYS A 40 7.729 2.554 2.480 1.00 0.00 C ATOM 576 C LYS A 40 8.555 2.052 1.293 1.00 0.00 C ATOM 577 O LYS A 40 9.081 2.848 0.517 1.00 0.00 O ATOM 578 CB LYS A 40 8.496 2.565 3.803 1.00 0.00 C ATOM 579 CG LYS A 40 10.007 2.607 3.561 1.00 0.00 C ATOM 580 CD LYS A 40 10.612 1.203 3.632 1.00 0.00 C ATOM 581 CE LYS A 40 12.061 1.205 3.140 1.00 0.00 C ATOM 582 NZ LYS A 40 12.927 1.947 4.084 1.00 0.00 N ATOM 0 H LYS A 40 6.503 1.127 3.402 1.00 0.00 H new ATOM 0 HA LYS A 40 7.478 3.595 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.195 3.429 4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.241 1.678 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.211 3.046 2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.480 3.249 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.573 0.838 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.020 0.517 3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.418 0.180 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.115 1.661 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.912 1.910 3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.616 2.938 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.862 1.515 5.028 1.00 0.00 H new ATOM 596 N ASP A 41 8.643 0.734 1.192 1.00 0.00 N ATOM 597 CA ASP A 41 9.397 0.115 0.113 1.00 0.00 C ATOM 598 C ASP A 41 8.834 0.585 -1.230 1.00 0.00 C ATOM 599 O ASP A 41 9.591 0.930 -2.136 1.00 0.00 O ATOM 600 CB ASP A 41 9.284 -1.409 0.167 1.00 0.00 C ATOM 601 CG ASP A 41 9.741 -2.136 -1.100 1.00 0.00 C ATOM 602 OD1 ASP A 41 10.868 -1.836 -1.551 1.00 0.00 O ATOM 603 OD2 ASP A 41 8.953 -2.974 -1.588 1.00 0.00 O ATOM 0 H ASP A 41 8.205 0.077 1.838 1.00 0.00 H new ATOM 0 HA ASP A 41 10.443 0.402 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.873 -1.773 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.246 -1.675 0.366 1.00 0.00 H new ATOM 608 N LEU A 42 7.512 0.583 -1.315 1.00 0.00 N ATOM 609 CA LEU A 42 6.840 1.005 -2.533 1.00 0.00 C ATOM 610 C LEU A 42 7.162 2.476 -2.804 1.00 0.00 C ATOM 611 O LEU A 42 7.573 2.832 -3.907 1.00 0.00 O ATOM 612 CB LEU A 42 5.342 0.708 -2.447 1.00 0.00 C ATOM 613 CG LEU A 42 4.903 -0.673 -2.939 1.00 0.00 C ATOM 614 CD1 LEU A 42 4.202 -1.454 -1.826 1.00 0.00 C ATOM 615 CD2 LEU A 42 4.033 -0.558 -4.193 1.00 0.00 C ATOM 0 H LEU A 42 6.888 0.296 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 42 7.206 0.436 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.029 0.818 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.808 1.464 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 42 5.794 -1.236 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.900 -2.432 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.885 -1.583 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.321 -0.905 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.735 -1.554 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.144 0.031 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.600 -0.069 -4.985 1.00 0.00 H new ATOM 627 N VAL A 43 6.960 3.292 -1.779 1.00 0.00 N ATOM 628 CA VAL A 43 7.223 4.716 -1.893 1.00 0.00 C ATOM 629 C VAL A 43 8.709 4.934 -2.188 1.00 0.00 C ATOM 630 O VAL A 43 9.062 5.710 -3.075 1.00 0.00 O ATOM 631 CB VAL A 43 6.752 5.438 -0.629 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.709 6.574 -0.258 1.00 0.00 C ATOM 633 CG2 VAL A 43 5.323 5.956 -0.794 1.00 0.00 C ATOM 0 H VAL A 43 6.617 2.993 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 43 6.661 5.143 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 43 6.754 4.718 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.351 7.071 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.704 6.167 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.754 7.294 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.013 6.465 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.283 6.654 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.653 5.119 -0.988 1.00 0.00 H new ATOM 643 N ASN A 44 9.539 4.234 -1.428 1.00 0.00 N ATOM 644 CA ASN A 44 10.978 4.342 -1.598 1.00 0.00 C ATOM 645 C ASN A 44 11.343 4.014 -3.046 1.00 0.00 C ATOM 646 O ASN A 44 12.261 4.608 -3.609 1.00 0.00 O ATOM 647 CB ASN A 44 11.714 3.356 -0.690 1.00 0.00 C ATOM 648 CG ASN A 44 12.317 4.069 0.521 1.00 0.00 C ATOM 649 OD1 ASN A 44 11.415 4.625 1.326 1.00 0.00 O flip ATOM 650 ND2 ASN A 44 13.521 4.113 0.714 1.00 0.00 N flip ATOM 0 H ASN A 44 9.243 3.591 -0.694 1.00 0.00 H new ATOM 0 HA ASN A 44 11.273 5.359 -1.341 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.024 2.582 -0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.503 2.858 -1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.160 3.665 0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.889 4.598 1.533 1.00 0.00 H new ATOM 657 N THR A 45 10.604 3.068 -3.610 1.00 0.00 N ATOM 658 CA THR A 45 10.840 2.654 -4.983 1.00 0.00 C ATOM 659 C THR A 45 10.351 3.730 -5.955 1.00 0.00 C ATOM 660 O THR A 45 11.031 4.046 -6.929 1.00 0.00 O ATOM 661 CB THR A 45 10.164 1.297 -5.189 1.00 0.00 C ATOM 662 OG1 THR A 45 11.092 0.362 -4.646 1.00 0.00 O ATOM 663 CG2 THR A 45 10.065 0.910 -6.666 1.00 0.00 C ATOM 0 H THR A 45 9.843 2.577 -3.141 1.00 0.00 H new ATOM 0 HA THR A 45 11.905 2.537 -5.185 1.00 0.00 H new ATOM 0 HB THR A 45 9.165 1.319 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.906 0.233 -3.692 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.578 -0.061 -6.756 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.482 1.660 -7.200 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.065 0.855 -7.096 1.00 0.00 H new ATOM 925 N LYS B 203 -2.505 17.983 -7.413 1.00 0.00 N ATOM 926 CA LYS B 203 -2.897 17.562 -6.079 1.00 0.00 C ATOM 927 C LYS B 203 -1.969 16.439 -5.611 1.00 0.00 C ATOM 928 O LYS B 203 -1.379 15.735 -6.429 1.00 0.00 O ATOM 929 CB LYS B 203 -4.380 17.186 -6.050 1.00 0.00 C ATOM 930 CG LYS B 203 -5.010 17.543 -4.702 1.00 0.00 C ATOM 931 CD LYS B 203 -6.529 17.673 -4.824 1.00 0.00 C ATOM 932 CE LYS B 203 -6.935 19.121 -5.104 1.00 0.00 C ATOM 933 NZ LYS B 203 -8.403 19.229 -5.257 1.00 0.00 N ATOM 0 HA LYS B 203 -2.786 18.384 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS B 203 -4.906 17.706 -6.850 1.00 0.00 H new ATOM 0 HB3 LYS B 203 -4.492 16.118 -6.236 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -4.765 16.776 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -4.589 18.480 -4.337 1.00 0.00 H new ATOM 0 HD2 LYS B 203 -6.889 17.029 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -7.002 17.331 -3.904 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -6.601 19.762 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -6.442 19.474 -6.010 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -8.660 20.219 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -8.714 18.632 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 -8.867 18.912 -4.382 1.00 0.00 H new ATOM 947 N ALA B 204 -1.869 16.307 -4.296 1.00 0.00 N ATOM 948 CA ALA B 204 -1.022 15.281 -3.710 1.00 0.00 C ATOM 949 C ALA B 204 -1.894 14.122 -3.226 1.00 0.00 C ATOM 950 O ALA B 204 -2.603 14.247 -2.228 1.00 0.00 O ATOM 951 CB ALA B 204 -0.187 15.892 -2.583 1.00 0.00 C ATOM 0 H ALA B 204 -2.360 16.893 -3.620 1.00 0.00 H new ATOM 0 HA ALA B 204 -0.329 14.885 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA B 204 0.448 15.123 -2.143 1.00 0.00 H new ATOM 0 HB2 ALA B 204 0.436 16.692 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA B 204 -0.849 16.297 -1.818 1.00 0.00 H new ATOM 957 N THR B 205 -1.815 13.018 -3.955 1.00 0.00 N ATOM 958 CA THR B 205 -2.588 11.838 -3.613 1.00 0.00 C ATOM 959 C THR B 205 -1.822 10.569 -3.995 1.00 0.00 C ATOM 960 O THR B 205 -0.906 10.616 -4.814 1.00 0.00 O ATOM 961 CB THR B 205 -3.952 11.951 -4.296 1.00 0.00 C ATOM 962 OG1 THR B 205 -3.640 12.292 -5.644 1.00 0.00 O ATOM 963 CG2 THR B 205 -4.764 13.146 -3.788 1.00 0.00 C ATOM 0 H THR B 205 -1.226 12.917 -4.782 1.00 0.00 H new ATOM 0 HA THR B 205 -2.751 11.771 -2.537 1.00 0.00 H new ATOM 0 HB THR B 205 -4.516 11.032 -4.133 1.00 0.00 H new ATOM 0 HG1 THR B 205 -4.469 12.383 -6.159 1.00 0.00 H new ATOM 0 HG21 THR B 205 -5.723 13.180 -4.305 1.00 0.00 H new ATOM 0 HG22 THR B 205 -4.933 13.042 -2.716 1.00 0.00 H new ATOM 0 HG23 THR B 205 -4.215 14.068 -3.981 1.00 0.00 H new ATOM 971 N TYR B 206 -2.226 9.466 -3.384 1.00 0.00 N ATOM 972 CA TYR B 206 -1.589 8.187 -3.649 1.00 0.00 C ATOM 973 C TYR B 206 -2.629 7.073 -3.784 1.00 0.00 C ATOM 974 O TYR B 206 -3.665 7.103 -3.120 1.00 0.00 O ATOM 975 CB TYR B 206 -0.703 7.897 -2.436 1.00 0.00 C ATOM 976 CG TYR B 206 0.794 8.057 -2.706 1.00 0.00 C ATOM 977 CD1 TYR B 206 1.501 7.030 -3.299 1.00 0.00 C ATOM 978 CD2 TYR B 206 1.438 9.226 -2.358 1.00 0.00 C ATOM 979 CE1 TYR B 206 2.910 7.180 -3.554 1.00 0.00 C ATOM 980 CE2 TYR B 206 2.848 9.376 -2.612 1.00 0.00 C ATOM 981 CZ TYR B 206 3.514 8.345 -3.198 1.00 0.00 C ATOM 982 OH TYR B 206 4.845 8.487 -3.438 1.00 0.00 O ATOM 0 H TYR B 206 -2.987 9.431 -2.706 1.00 0.00 H new ATOM 0 HA TYR B 206 -1.023 8.226 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR B 206 -0.988 8.564 -1.623 1.00 0.00 H new ATOM 0 HB3 TYR B 206 -0.893 6.879 -2.095 1.00 0.00 H new ATOM 0 HD1 TYR B 206 0.997 6.114 -3.572 1.00 0.00 H new ATOM 0 HD2 TYR B 206 0.885 10.030 -1.895 1.00 0.00 H new ATOM 0 HE1 TYR B 206 3.475 6.385 -4.018 1.00 0.00 H new ATOM 0 HE2 TYR B 206 3.364 10.286 -2.343 1.00 0.00 H new ATOM 0 HH TYR B 206 5.140 9.370 -3.133 1.00 0.00 H new ATOM 992 N THR B 207 -2.318 6.117 -4.646 1.00 0.00 N ATOM 993 CA THR B 207 -3.213 4.995 -4.875 1.00 0.00 C ATOM 994 C THR B 207 -2.492 3.673 -4.606 1.00 0.00 C ATOM 995 O THR B 207 -1.634 3.261 -5.384 1.00 0.00 O ATOM 996 CB THR B 207 -3.759 5.111 -6.300 1.00 0.00 C ATOM 997 OG1 THR B 207 -3.988 6.506 -6.473 1.00 0.00 O ATOM 998 CG2 THR B 207 -5.147 4.485 -6.448 1.00 0.00 C ATOM 0 H THR B 207 -1.458 6.096 -5.195 1.00 0.00 H new ATOM 0 HA THR B 207 -4.056 5.014 -4.185 1.00 0.00 H new ATOM 0 HB THR B 207 -3.068 4.631 -6.993 1.00 0.00 H new ATOM 0 HG1 THR B 207 -4.341 6.670 -7.372 1.00 0.00 H new ATOM 0 HG21 THR B 207 -5.488 4.595 -7.478 1.00 0.00 H new ATOM 0 HG22 THR B 207 -5.098 3.426 -6.193 1.00 0.00 H new ATOM 0 HG23 THR B 207 -5.846 4.987 -5.779 1.00 0.00 H new ATOM 1006 N VAL B 208 -2.866 3.047 -3.500 1.00 0.00 N ATOM 1007 CA VAL B 208 -2.266 1.779 -3.118 1.00 0.00 C ATOM 1008 C VAL B 208 -3.221 0.639 -3.477 1.00 0.00 C ATOM 1009 O VAL B 208 -4.330 0.564 -2.950 1.00 0.00 O ATOM 1010 CB VAL B 208 -1.894 1.803 -1.634 1.00 0.00 C ATOM 1011 CG1 VAL B 208 -1.611 0.391 -1.118 1.00 0.00 C ATOM 1012 CG2 VAL B 208 -0.700 2.728 -1.385 1.00 0.00 C ATOM 0 H VAL B 208 -3.577 3.394 -2.856 1.00 0.00 H new ATOM 0 HA VAL B 208 -1.340 1.613 -3.669 1.00 0.00 H new ATOM 0 HB VAL B 208 -2.746 2.198 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL B 208 -1.349 0.436 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL B 208 -2.499 -0.228 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL B 208 -0.783 -0.042 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL B 208 -0.455 2.728 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL B 208 0.159 2.375 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -0.953 3.741 -1.699 1.00 0.00 H new ATOM 1022 N THR B 209 -2.755 -0.221 -4.371 1.00 0.00 N ATOM 1023 CA THR B 209 -3.555 -1.354 -4.805 1.00 0.00 C ATOM 1024 C THR B 209 -3.073 -2.638 -4.127 1.00 0.00 C ATOM 1025 O THR B 209 -1.877 -2.811 -3.896 1.00 0.00 O ATOM 1026 CB THR B 209 -3.496 -1.416 -6.333 1.00 0.00 C ATOM 1027 OG1 THR B 209 -3.382 -0.052 -6.731 1.00 0.00 O ATOM 1028 CG2 THR B 209 -4.818 -1.875 -6.952 1.00 0.00 C ATOM 0 H THR B 209 -1.835 -0.156 -4.806 1.00 0.00 H new ATOM 0 HA THR B 209 -4.598 -1.238 -4.509 1.00 0.00 H new ATOM 0 HB THR B 209 -2.698 -2.093 -6.638 1.00 0.00 H new ATOM 0 HG1 THR B 209 -3.336 0.001 -7.708 1.00 0.00 H new ATOM 0 HG21 THR B 209 -4.722 -1.901 -8.037 1.00 0.00 H new ATOM 0 HG22 THR B 209 -5.065 -2.871 -6.585 1.00 0.00 H new ATOM 0 HG23 THR B 209 -5.610 -1.180 -6.675 1.00 0.00 H new ATOM 1036 N VAL B 210 -4.029 -3.505 -3.826 1.00 0.00 N ATOM 1037 CA VAL B 210 -3.717 -4.768 -3.178 1.00 0.00 C ATOM 1038 C VAL B 210 -4.592 -5.872 -3.775 1.00 0.00 C ATOM 1039 O VAL B 210 -5.813 -5.851 -3.624 1.00 0.00 O ATOM 1040 CB VAL B 210 -3.876 -4.632 -1.663 1.00 0.00 C ATOM 1041 CG1 VAL B 210 -4.214 -5.980 -1.024 1.00 0.00 C ATOM 1042 CG2 VAL B 210 -2.621 -4.024 -1.032 1.00 0.00 C ATOM 0 H VAL B 210 -5.020 -3.358 -4.019 1.00 0.00 H new ATOM 0 HA VAL B 210 -2.678 -5.044 -3.358 1.00 0.00 H new ATOM 0 HB VAL B 210 -4.708 -3.954 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL B 210 -4.322 -5.855 0.053 1.00 0.00 H new ATOM 0 HG12 VAL B 210 -5.148 -6.356 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL B 210 -3.413 -6.691 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL B 210 -2.761 -3.938 0.046 1.00 0.00 H new ATOM 0 HG22 VAL B 210 -1.764 -4.665 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL B 210 -2.444 -3.035 -1.455 1.00 0.00 H new ATOM 1052 N THR B 211 -3.935 -6.810 -4.441 1.00 0.00 N ATOM 1053 CA THR B 211 -4.637 -7.920 -5.061 1.00 0.00 C ATOM 1054 C THR B 211 -4.014 -9.250 -4.635 1.00 0.00 C ATOM 1055 O THR B 211 -2.791 -9.376 -4.573 1.00 0.00 O ATOM 1056 CB THR B 211 -4.626 -7.700 -6.575 1.00 0.00 C ATOM 1057 OG1 THR B 211 -5.398 -6.517 -6.760 1.00 0.00 O ATOM 1058 CG2 THR B 211 -5.408 -8.778 -7.329 1.00 0.00 C ATOM 0 H THR B 211 -2.923 -6.824 -4.565 1.00 0.00 H new ATOM 0 HA THR B 211 -5.675 -7.964 -4.732 1.00 0.00 H new ATOM 0 HB THR B 211 -3.596 -7.683 -6.932 1.00 0.00 H new ATOM 0 HG1 THR B 211 -5.236 -6.157 -7.657 1.00 0.00 H new ATOM 0 HG21 THR B 211 -5.369 -8.575 -8.399 1.00 0.00 H new ATOM 0 HG22 THR B 211 -4.967 -9.755 -7.129 1.00 0.00 H new ATOM 0 HG23 THR B 211 -6.446 -8.774 -6.997 1.00 0.00 H new ATOM 1066 N ASN B 212 -4.882 -10.211 -4.353 1.00 0.00 N ATOM 1067 CA ASN B 212 -4.432 -11.528 -3.935 1.00 0.00 C ATOM 1068 C ASN B 212 -4.415 -12.464 -5.145 1.00 0.00 C ATOM 1069 O ASN B 212 -5.441 -12.665 -5.793 1.00 0.00 O ATOM 1070 CB ASN B 212 -5.373 -12.125 -2.888 1.00 0.00 C ATOM 1071 CG ASN B 212 -5.704 -11.101 -1.800 1.00 0.00 C ATOM 1072 OD1 ASN B 212 -5.222 -9.981 -1.798 1.00 0.00 O ATOM 1073 ND2 ASN B 212 -6.551 -11.547 -0.877 1.00 0.00 N ATOM 0 H ASN B 212 -5.895 -10.104 -4.406 1.00 0.00 H new ATOM 0 HA ASN B 212 -3.436 -11.423 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN B 212 -6.292 -12.460 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN B 212 -4.911 -13.003 -2.437 1.00 0.00 H new ATOM 0 HD21 ASN B 212 -6.834 -10.939 -0.108 1.00 0.00 H new ATOM 0 HD22 ASN B 212 -6.918 -12.497 -0.938 1.00 0.00 H new ATOM 1080 N ASN B 213 -3.239 -13.012 -5.412 1.00 0.00 N ATOM 1081 CA ASN B 213 -3.075 -13.922 -6.533 1.00 0.00 C ATOM 1082 C ASN B 213 -3.594 -15.306 -6.140 1.00 0.00 C ATOM 1083 O ASN B 213 -3.827 -16.154 -7.000 1.00 0.00 O ATOM 1084 CB ASN B 213 -1.601 -14.062 -6.919 1.00 0.00 C ATOM 1085 CG ASN B 213 -1.357 -13.563 -8.344 1.00 0.00 C ATOM 1086 OD1 ASN B 213 -1.709 -14.202 -9.322 1.00 0.00 O ATOM 1087 ND2 ASN B 213 -0.736 -12.389 -8.408 1.00 0.00 N ATOM 0 H ASN B 213 -2.391 -12.844 -4.872 1.00 0.00 H new ATOM 0 HA ASN B 213 -3.632 -13.519 -7.379 1.00 0.00 H new ATOM 0 HB2 ASN B 213 -0.984 -13.496 -6.221 1.00 0.00 H new ATOM 0 HB3 ASN B 213 -1.298 -15.106 -6.839 1.00 0.00 H new ATOM 0 HD21 ASN B 213 -0.527 -11.971 -9.315 1.00 0.00 H new ATOM 0 HD22 ASN B 213 -0.468 -11.906 -7.550 1.00 0.00 H new ATOM 1094 N SER B 214 -3.760 -15.494 -4.839 1.00 0.00 N ATOM 1095 CA SER B 214 -4.247 -16.761 -4.321 1.00 0.00 C ATOM 1096 C SER B 214 -5.774 -16.806 -4.400 1.00 0.00 C ATOM 1097 O SER B 214 -6.356 -17.863 -4.642 1.00 0.00 O ATOM 1098 CB SER B 214 -3.784 -16.982 -2.879 1.00 0.00 C ATOM 1099 OG SER B 214 -4.849 -16.827 -1.946 1.00 0.00 O ATOM 0 H SER B 214 -3.566 -14.789 -4.128 1.00 0.00 H new ATOM 0 HA SER B 214 -3.833 -17.562 -4.934 1.00 0.00 H new ATOM 0 HB2 SER B 214 -3.361 -17.982 -2.783 1.00 0.00 H new ATOM 0 HB3 SER B 214 -2.989 -16.276 -2.642 1.00 0.00 H new ATOM 0 HG SER B 214 -4.513 -16.978 -1.038 1.00 0.00 H new ATOM 1105 N ASN B 215 -6.380 -15.647 -4.190 1.00 0.00 N ATOM 1106 CA ASN B 215 -7.829 -15.541 -4.235 1.00 0.00 C ATOM 1107 C ASN B 215 -8.241 -14.767 -5.489 1.00 0.00 C ATOM 1108 O ASN B 215 -9.424 -14.689 -5.813 1.00 0.00 O ATOM 1109 CB ASN B 215 -8.364 -14.786 -3.016 1.00 0.00 C ATOM 1110 CG ASN B 215 -9.497 -15.563 -2.344 1.00 0.00 C ATOM 1111 OD1 ASN B 215 -10.567 -14.825 -2.065 1.00 0.00 O flip ATOM 1112 ND2 ASN B 215 -9.405 -16.754 -2.094 1.00 0.00 N flip ATOM 0 H ASN B 215 -5.894 -14.773 -3.988 1.00 0.00 H new ATOM 0 HA ASN B 215 -8.241 -16.550 -4.244 1.00 0.00 H new ATOM 0 HB2 ASN B 215 -7.557 -14.623 -2.302 1.00 0.00 H new ATOM 0 HB3 ASN B 215 -8.723 -13.803 -3.321 1.00 0.00 H new ATOM 0 HD21 ASN B 215 -8.554 -17.261 -2.335 1.00 0.00 H new ATOM 0 HD22 ASN B 215 -10.179 -17.242 -1.644 1.00 0.00 H new ATOM 1119 N GLY B 216 -7.241 -14.214 -6.159 1.00 0.00 N ATOM 1120 CA GLY B 216 -7.485 -13.449 -7.370 1.00 0.00 C ATOM 1121 C GLY B 216 -8.350 -12.222 -7.078 1.00 0.00 C ATOM 1122 O GLY B 216 -8.909 -11.620 -7.994 1.00 0.00 O ATOM 0 H GLY B 216 -6.260 -14.280 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY B 216 -6.536 -13.134 -7.803 1.00 0.00 H new ATOM 0 HA3 GLY B 216 -7.979 -14.079 -8.109 1.00 0.00 H new ATOM 1126 N VAL B 217 -8.434 -11.887 -5.799 1.00 0.00 N ATOM 1127 CA VAL B 217 -9.222 -10.742 -5.375 1.00 0.00 C ATOM 1128 C VAL B 217 -8.360 -9.480 -5.447 1.00 0.00 C ATOM 1129 O VAL B 217 -7.276 -9.430 -4.866 1.00 0.00 O ATOM 1130 CB VAL B 217 -9.801 -10.992 -3.982 1.00 0.00 C ATOM 1131 CG1 VAL B 217 -10.404 -9.712 -3.399 1.00 0.00 C ATOM 1132 CG2 VAL B 217 -10.835 -12.120 -4.011 1.00 0.00 C ATOM 0 H VAL B 217 -7.969 -12.389 -5.042 1.00 0.00 H new ATOM 0 HA VAL B 217 -10.071 -10.594 -6.043 1.00 0.00 H new ATOM 0 HB VAL B 217 -8.983 -11.303 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL B 217 -10.808 -9.919 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL B 217 -9.631 -8.947 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL B 217 -11.203 -9.357 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL B 217 -11.231 -12.277 -3.008 1.00 0.00 H new ATOM 0 HG22 VAL B 217 -11.649 -11.850 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL B 217 -10.363 -13.037 -4.362 1.00 0.00 H new ATOM 1142 N SER B 218 -8.873 -8.491 -6.163 1.00 0.00 N ATOM 1143 CA SER B 218 -8.164 -7.232 -6.317 1.00 0.00 C ATOM 1144 C SER B 218 -8.905 -6.119 -5.574 1.00 0.00 C ATOM 1145 O SER B 218 -10.133 -6.120 -5.512 1.00 0.00 O ATOM 1146 CB SER B 218 -8.004 -6.868 -7.795 1.00 0.00 C ATOM 1147 OG SER B 218 -8.955 -7.540 -8.617 1.00 0.00 O ATOM 0 H SER B 218 -9.772 -8.536 -6.643 1.00 0.00 H new ATOM 0 HA SER B 218 -7.168 -7.346 -5.888 1.00 0.00 H new ATOM 0 HB2 SER B 218 -8.116 -5.791 -7.917 1.00 0.00 H new ATOM 0 HB3 SER B 218 -6.997 -7.123 -8.124 1.00 0.00 H new ATOM 0 HG SER B 218 -8.821 -7.280 -9.552 1.00 0.00 H new ATOM 1153 N VAL B 219 -8.126 -5.197 -5.027 1.00 0.00 N ATOM 1154 CA VAL B 219 -8.693 -4.081 -4.290 1.00 0.00 C ATOM 1155 C VAL B 219 -7.736 -2.889 -4.361 1.00 0.00 C ATOM 1156 O VAL B 219 -6.556 -3.016 -4.037 1.00 0.00 O ATOM 1157 CB VAL B 219 -9.010 -4.508 -2.856 1.00 0.00 C ATOM 1158 CG1 VAL B 219 -9.081 -3.295 -1.925 1.00 0.00 C ATOM 1159 CG2 VAL B 219 -10.306 -5.319 -2.799 1.00 0.00 C ATOM 0 H VAL B 219 -7.107 -5.200 -5.080 1.00 0.00 H new ATOM 0 HA VAL B 219 -9.636 -3.768 -4.738 1.00 0.00 H new ATOM 0 HB VAL B 219 -8.198 -5.148 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL B 219 -9.308 -3.627 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL B 219 -8.123 -2.775 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL B 219 -9.863 -2.618 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL B 219 -10.508 -5.610 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL B 219 -11.131 -4.713 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL B 219 -10.203 -6.213 -3.415 1.00 0.00 H new ATOM 1169 N ASP B 220 -8.279 -1.758 -4.787 1.00 0.00 N ATOM 1170 CA ASP B 220 -7.488 -0.546 -4.904 1.00 0.00 C ATOM 1171 C ASP B 220 -8.062 0.525 -3.975 1.00 0.00 C ATOM 1172 O ASP B 220 -9.273 0.586 -3.765 1.00 0.00 O ATOM 1173 CB ASP B 220 -7.525 0.000 -6.333 1.00 0.00 C ATOM 1174 CG ASP B 220 -8.010 -0.992 -7.392 1.00 0.00 C ATOM 1175 OD1 ASP B 220 -9.171 -1.439 -7.261 1.00 0.00 O ATOM 1176 OD2 ASP B 220 -7.209 -1.282 -8.307 1.00 0.00 O ATOM 0 H ASP B 220 -9.258 -1.656 -5.055 1.00 0.00 H new ATOM 0 HA ASP B 220 -6.460 -0.788 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP B 220 -8.173 0.877 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP B 220 -6.524 0.336 -6.603 1.00 0.00 H new ATOM 1181 N TYR B 221 -7.166 1.343 -3.441 1.00 0.00 N ATOM 1182 CA TYR B 221 -7.569 2.408 -2.538 1.00 0.00 C ATOM 1183 C TYR B 221 -6.753 3.678 -2.790 1.00 0.00 C ATOM 1184 O TYR B 221 -5.524 3.635 -2.818 1.00 0.00 O ATOM 1185 CB TYR B 221 -7.274 1.898 -1.126 1.00 0.00 C ATOM 1186 CG TYR B 221 -8.506 1.380 -0.381 1.00 0.00 C ATOM 1187 CD1 TYR B 221 -9.545 2.239 -0.086 1.00 0.00 C ATOM 1188 CD2 TYR B 221 -8.577 0.054 -0.005 1.00 0.00 C ATOM 1189 CE1 TYR B 221 -10.704 1.751 0.615 1.00 0.00 C ATOM 1190 CE2 TYR B 221 -9.737 -0.434 0.696 1.00 0.00 C ATOM 1191 CZ TYR B 221 -10.744 0.439 0.972 1.00 0.00 C ATOM 1192 OH TYR B 221 -11.839 -0.021 1.634 1.00 0.00 O ATOM 0 H TYR B 221 -6.163 1.289 -3.616 1.00 0.00 H new ATOM 0 HA TYR B 221 -8.621 2.656 -2.681 1.00 0.00 H new ATOM 0 HB2 TYR B 221 -6.536 1.098 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR B 221 -6.824 2.704 -0.546 1.00 0.00 H new ATOM 0 HD1 TYR B 221 -9.489 3.276 -0.381 1.00 0.00 H new ATOM 0 HD2 TYR B 221 -7.763 -0.617 -0.236 1.00 0.00 H new ATOM 0 HE1 TYR B 221 -11.524 2.412 0.852 1.00 0.00 H new ATOM 0 HE2 TYR B 221 -9.806 -1.469 0.996 1.00 0.00 H new ATOM 0 HH TYR B 221 -11.598 -0.819 2.149 1.00 0.00 H new ATOM 1202 N GLU B 222 -7.470 4.778 -2.967 1.00 0.00 N ATOM 1203 CA GLU B 222 -6.828 6.058 -3.216 1.00 0.00 C ATOM 1204 C GLU B 222 -6.780 6.886 -1.930 1.00 0.00 C ATOM 1205 O GLU B 222 -7.819 7.268 -1.394 1.00 0.00 O ATOM 1206 CB GLU B 222 -7.542 6.820 -4.334 1.00 0.00 C ATOM 1207 CG GLU B 222 -6.895 8.188 -4.562 1.00 0.00 C ATOM 1208 CD GLU B 222 -7.252 8.739 -5.944 1.00 0.00 C ATOM 1209 OE1 GLU B 222 -7.226 7.934 -6.901 1.00 0.00 O ATOM 1210 OE2 GLU B 222 -7.543 9.953 -6.014 1.00 0.00 O ATOM 0 H GLU B 222 -8.489 4.810 -2.943 1.00 0.00 H new ATOM 0 HA GLU B 222 -5.805 5.873 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU B 222 -7.507 6.239 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU B 222 -8.594 6.949 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU B 222 -7.227 8.884 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU B 222 -5.812 8.102 -4.469 1.00 0.00 H new ATOM 1217 N THR B 223 -5.563 7.138 -1.471 1.00 0.00 N ATOM 1218 CA THR B 223 -5.366 7.914 -0.259 1.00 0.00 C ATOM 1219 C THR B 223 -4.213 8.904 -0.441 1.00 0.00 C ATOM 1220 O THR B 223 -3.267 8.632 -1.177 1.00 0.00 O ATOM 1221 CB THR B 223 -5.150 6.936 0.898 1.00 0.00 C ATOM 1222 OG1 THR B 223 -5.485 7.692 2.059 1.00 0.00 O ATOM 1223 CG2 THR B 223 -3.676 6.582 1.098 1.00 0.00 C ATOM 0 H THR B 223 -4.703 6.818 -1.917 1.00 0.00 H new ATOM 0 HA THR B 223 -6.242 8.522 -0.031 1.00 0.00 H new ATOM 0 HB THR B 223 -5.721 6.026 0.714 1.00 0.00 H new ATOM 0 HG1 THR B 223 -5.375 7.133 2.856 1.00 0.00 H new ATOM 0 HG21 THR B 223 -3.579 5.886 1.931 1.00 0.00 H new ATOM 0 HG22 THR B 223 -3.287 6.120 0.191 1.00 0.00 H new ATOM 0 HG23 THR B 223 -3.110 7.488 1.315 1.00 0.00 H new ATOM 1231 N GLU B 224 -4.332 10.033 0.242 1.00 0.00 N ATOM 1232 CA GLU B 224 -3.313 11.065 0.166 1.00 0.00 C ATOM 1233 C GLU B 224 -2.476 11.082 1.447 1.00 0.00 C ATOM 1234 O GLU B 224 -2.856 11.715 2.431 1.00 0.00 O ATOM 1235 CB GLU B 224 -3.939 12.436 -0.098 1.00 0.00 C ATOM 1236 CG GLU B 224 -5.422 12.442 0.275 1.00 0.00 C ATOM 1237 CD GLU B 224 -6.030 13.834 0.085 1.00 0.00 C ATOM 1238 OE1 GLU B 224 -5.437 14.790 0.631 1.00 0.00 O ATOM 1239 OE2 GLU B 224 -7.072 13.910 -0.600 1.00 0.00 O ATOM 0 H GLU B 224 -5.119 10.255 0.851 1.00 0.00 H new ATOM 0 HA GLU B 224 -2.654 10.835 -0.672 1.00 0.00 H new ATOM 0 HB2 GLU B 224 -3.412 13.197 0.478 1.00 0.00 H new ATOM 0 HB3 GLU B 224 -3.824 12.696 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU B 224 -5.958 11.720 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU B 224 -5.541 12.128 1.312 1.00 0.00 H new ATOM 1246 N THR B 225 -1.355 10.379 1.393 1.00 0.00 N ATOM 1247 CA THR B 225 -0.463 10.304 2.538 1.00 0.00 C ATOM 1248 C THR B 225 0.988 10.511 2.097 1.00 0.00 C ATOM 1249 O THR B 225 1.557 9.666 1.407 1.00 0.00 O ATOM 1250 CB THR B 225 -0.700 8.965 3.237 1.00 0.00 C ATOM 1251 OG1 THR B 225 -0.601 8.003 2.190 1.00 0.00 O ATOM 1252 CG2 THR B 225 -2.137 8.815 3.745 1.00 0.00 C ATOM 0 H THR B 225 -1.044 9.856 0.575 1.00 0.00 H new ATOM 0 HA THR B 225 -0.670 11.100 3.253 1.00 0.00 H new ATOM 0 HB THR B 225 -0.007 8.865 4.072 1.00 0.00 H new ATOM 0 HG1 THR B 225 -0.740 7.105 2.557 1.00 0.00 H new ATOM 0 HG21 THR B 225 -2.251 7.847 4.233 1.00 0.00 H new ATOM 0 HG22 THR B 225 -2.355 9.609 4.459 1.00 0.00 H new ATOM 0 HG23 THR B 225 -2.829 8.882 2.905 1.00 0.00 H new ATOM 1260 N PRO B 226 1.560 11.669 2.524 1.00 0.00 N ATOM 1261 CA PRO B 226 2.932 11.997 2.181 1.00 0.00 C ATOM 1262 C PRO B 226 3.918 11.166 3.005 1.00 0.00 C ATOM 1263 O PRO B 226 4.340 10.092 2.578 1.00 0.00 O ATOM 1264 CB PRO B 226 3.055 13.490 2.435 1.00 0.00 C ATOM 1265 CG PRO B 226 1.895 13.854 3.348 1.00 0.00 C ATOM 1266 CD PRO B 226 0.915 12.693 3.342 1.00 0.00 C ATOM 0 HA PRO B 226 3.174 11.762 1.144 1.00 0.00 H new ATOM 0 HB2 PRO B 226 4.010 13.729 2.903 1.00 0.00 H new ATOM 0 HB3 PRO B 226 3.008 14.050 1.501 1.00 0.00 H new ATOM 0 HG2 PRO B 226 2.252 14.047 4.360 1.00 0.00 H new ATOM 0 HG3 PRO B 226 1.408 14.766 3.002 1.00 0.00 H new ATOM 0 HD2 PRO B 226 0.724 12.331 4.352 1.00 0.00 H new ATOM 0 HD3 PRO B 226 -0.046 12.988 2.922 1.00 0.00 H new ATOM 1274 N MET B 227 4.254 11.693 4.174 1.00 0.00 N ATOM 1275 CA MET B 227 5.181 11.013 5.062 1.00 0.00 C ATOM 1276 C MET B 227 4.515 9.813 5.735 1.00 0.00 C ATOM 1277 O MET B 227 5.183 8.840 6.081 1.00 0.00 O ATOM 1278 CB MET B 227 5.673 11.991 6.131 1.00 0.00 C ATOM 1279 CG MET B 227 6.339 13.212 5.494 1.00 0.00 C ATOM 1280 SD MET B 227 7.719 12.698 4.485 1.00 0.00 S ATOM 1281 CE MET B 227 7.078 13.079 2.864 1.00 0.00 C ATOM 0 H MET B 227 3.901 12.583 4.526 1.00 0.00 H new ATOM 0 HA MET B 227 6.023 10.652 4.471 1.00 0.00 H new ATOM 0 HB2 MET B 227 4.834 12.311 6.749 1.00 0.00 H new ATOM 0 HB3 MET B 227 6.381 11.489 6.790 1.00 0.00 H new ATOM 0 HG2 MET B 227 5.616 13.755 4.886 1.00 0.00 H new ATOM 0 HG3 MET B 227 6.681 13.897 6.270 1.00 0.00 H new ATOM 0 HE1 MET B 227 7.905 13.196 2.164 1.00 0.00 H new ATOM 0 HE2 MET B 227 6.431 12.268 2.529 1.00 0.00 H new ATOM 0 HE3 MET B 227 6.506 14.006 2.908 1.00 0.00 H new ATOM 1291 N THR B 228 3.204 9.920 5.902 1.00 0.00 N ATOM 1292 CA THR B 228 2.440 8.854 6.528 1.00 0.00 C ATOM 1293 C THR B 228 2.728 7.518 5.842 1.00 0.00 C ATOM 1294 O THR B 228 2.711 6.469 6.486 1.00 0.00 O ATOM 1295 CB THR B 228 0.962 9.250 6.492 1.00 0.00 C ATOM 1296 OG1 THR B 228 0.958 10.521 5.850 1.00 0.00 O ATOM 1297 CG2 THR B 228 0.399 9.535 7.887 1.00 0.00 C ATOM 0 H THR B 228 2.652 10.728 5.615 1.00 0.00 H new ATOM 0 HA THR B 228 2.730 8.717 7.570 1.00 0.00 H new ATOM 0 HB THR B 228 0.384 8.454 6.022 1.00 0.00 H new ATOM 0 HG1 THR B 228 0.038 10.851 5.783 1.00 0.00 H new ATOM 0 HG21 THR B 228 -0.652 9.811 7.806 1.00 0.00 H new ATOM 0 HG22 THR B 228 0.493 8.643 8.506 1.00 0.00 H new ATOM 0 HG23 THR B 228 0.955 10.354 8.343 1.00 0.00 H new ATOM 1305 N LEU B 229 2.985 7.598 4.545 1.00 0.00 N ATOM 1306 CA LEU B 229 3.276 6.406 3.764 1.00 0.00 C ATOM 1307 C LEU B 229 4.452 5.661 4.399 1.00 0.00 C ATOM 1308 O LEU B 229 4.488 4.432 4.396 1.00 0.00 O ATOM 1309 CB LEU B 229 3.499 6.769 2.295 1.00 0.00 C ATOM 1310 CG LEU B 229 2.237 6.931 1.446 1.00 0.00 C ATOM 1311 CD1 LEU B 229 2.549 7.647 0.130 1.00 0.00 C ATOM 1312 CD2 LEU B 229 1.554 5.581 1.215 1.00 0.00 C ATOM 0 H LEU B 229 2.998 8.469 4.015 1.00 0.00 H new ATOM 0 HA LEU B 229 2.424 5.726 3.774 1.00 0.00 H new ATOM 0 HB2 LEU B 229 4.063 7.701 2.253 1.00 0.00 H new ATOM 0 HB3 LEU B 229 4.122 5.998 1.841 1.00 0.00 H new ATOM 0 HG LEU B 229 1.535 7.558 1.995 1.00 0.00 H new ATOM 0 HD11 LEU B 229 1.635 7.749 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU B 229 2.957 8.635 0.341 1.00 0.00 H new ATOM 0 HD13 LEU B 229 3.278 7.067 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU B 229 0.660 5.725 0.609 1.00 0.00 H new ATOM 0 HD22 LEU B 229 2.240 4.910 0.697 1.00 0.00 H new ATOM 0 HD23 LEU B 229 1.276 5.145 2.175 1.00 0.00 H new ATOM 1324 N LEU B 230 5.386 6.438 4.928 1.00 0.00 N ATOM 1325 CA LEU B 230 6.562 5.867 5.565 1.00 0.00 C ATOM 1326 C LEU B 230 6.190 5.383 6.969 1.00 0.00 C ATOM 1327 O LEU B 230 6.838 4.491 7.513 1.00 0.00 O ATOM 1328 CB LEU B 230 7.721 6.864 5.544 1.00 0.00 C ATOM 1329 CG LEU B 230 7.991 7.550 4.203 1.00 0.00 C ATOM 1330 CD1 LEU B 230 9.217 8.461 4.291 1.00 0.00 C ATOM 1331 CD2 LEU B 230 8.122 6.520 3.078 1.00 0.00 C ATOM 0 H LEU B 230 5.353 7.457 4.929 1.00 0.00 H new ATOM 0 HA LEU B 230 6.913 4.997 5.009 1.00 0.00 H new ATOM 0 HB2 LEU B 230 7.526 7.634 6.291 1.00 0.00 H new ATOM 0 HB3 LEU B 230 8.628 6.344 5.852 1.00 0.00 H new ATOM 0 HG LEU B 230 7.136 8.182 3.964 1.00 0.00 H new ATOM 0 HD11 LEU B 230 9.387 8.936 3.325 1.00 0.00 H new ATOM 0 HD12 LEU B 230 9.047 9.227 5.048 1.00 0.00 H new ATOM 0 HD13 LEU B 230 10.091 7.869 4.563 1.00 0.00 H new ATOM 0 HD21 LEU B 230 8.314 7.033 2.136 1.00 0.00 H new ATOM 0 HD22 LEU B 230 8.948 5.844 3.298 1.00 0.00 H new ATOM 0 HD23 LEU B 230 7.197 5.948 2.999 1.00 0.00 H new ATOM 1343 N VAL B 231 5.151 5.995 7.515 1.00 0.00 N ATOM 1344 CA VAL B 231 4.686 5.640 8.845 1.00 0.00 C ATOM 1345 C VAL B 231 4.164 4.202 8.830 1.00 0.00 C ATOM 1346 O VAL B 231 3.419 3.817 7.929 1.00 0.00 O ATOM 1347 CB VAL B 231 3.643 6.651 9.323 1.00 0.00 C ATOM 1348 CG1 VAL B 231 3.117 6.281 10.712 1.00 0.00 C ATOM 1349 CG2 VAL B 231 4.210 8.072 9.312 1.00 0.00 C ATOM 0 H VAL B 231 4.617 6.736 7.060 1.00 0.00 H new ATOM 0 HA VAL B 231 5.507 5.680 9.560 1.00 0.00 H new ATOM 0 HB VAL B 231 2.804 6.620 8.628 1.00 0.00 H new ATOM 0 HG11 VAL B 231 2.377 7.016 11.028 1.00 0.00 H new ATOM 0 HG12 VAL B 231 2.656 5.294 10.675 1.00 0.00 H new ATOM 0 HG13 VAL B 231 3.943 6.269 11.423 1.00 0.00 H new ATOM 0 HG21 VAL B 231 3.447 8.771 9.656 1.00 0.00 H new ATOM 0 HG22 VAL B 231 5.075 8.124 9.973 1.00 0.00 H new ATOM 0 HG23 VAL B 231 4.512 8.335 8.298 1.00 0.00 H new ATOM 1359 N PRO B 232 4.584 3.427 9.865 1.00 0.00 N ATOM 1360 CA PRO B 232 4.167 2.040 9.979 1.00 0.00 C ATOM 1361 C PRO B 232 2.714 1.941 10.451 1.00 0.00 C ATOM 1362 O PRO B 232 1.955 1.108 9.961 1.00 0.00 O ATOM 1363 CB PRO B 232 5.151 1.410 10.952 1.00 0.00 C ATOM 1364 CG PRO B 232 5.793 2.568 11.701 1.00 0.00 C ATOM 1365 CD PRO B 232 5.466 3.848 10.951 1.00 0.00 C ATOM 0 HA PRO B 232 4.183 1.517 9.023 1.00 0.00 H new ATOM 0 HB2 PRO B 232 4.643 0.734 11.639 1.00 0.00 H new ATOM 0 HB3 PRO B 232 5.901 0.822 10.423 1.00 0.00 H new ATOM 0 HG2 PRO B 232 5.416 2.617 12.723 1.00 0.00 H new ATOM 0 HG3 PRO B 232 6.872 2.429 11.766 1.00 0.00 H new ATOM 0 HD2 PRO B 232 4.976 4.573 11.601 1.00 0.00 H new ATOM 0 HD3 PRO B 232 6.368 4.323 10.567 1.00 0.00 H new ATOM 1373 N GLU B 233 2.374 2.804 11.397 1.00 0.00 N ATOM 1374 CA GLU B 233 1.027 2.825 11.940 1.00 0.00 C ATOM 1375 C GLU B 233 0.014 3.138 10.837 1.00 0.00 C ATOM 1376 O GLU B 233 -1.095 2.606 10.837 1.00 0.00 O ATOM 1377 CB GLU B 233 0.914 3.829 13.089 1.00 0.00 C ATOM 1378 CG GLU B 233 2.150 3.774 13.989 1.00 0.00 C ATOM 1379 CD GLU B 233 1.837 4.316 15.385 1.00 0.00 C ATOM 1380 OE1 GLU B 233 1.066 3.637 16.097 1.00 0.00 O ATOM 1381 OE2 GLU B 233 2.375 5.397 15.709 1.00 0.00 O ATOM 0 H GLU B 233 3.008 3.493 11.801 1.00 0.00 H new ATOM 0 HA GLU B 233 0.803 1.837 12.342 1.00 0.00 H new ATOM 0 HB2 GLU B 233 0.797 4.835 12.687 1.00 0.00 H new ATOM 0 HB3 GLU B 233 0.022 3.615 13.677 1.00 0.00 H new ATOM 0 HG2 GLU B 233 2.503 2.746 14.065 1.00 0.00 H new ATOM 0 HG3 GLU B 233 2.956 4.356 13.542 1.00 0.00 H new ATOM 1388 N VAL B 234 0.431 4.002 9.923 1.00 0.00 N ATOM 1389 CA VAL B 234 -0.425 4.392 8.815 1.00 0.00 C ATOM 1390 C VAL B 234 -0.344 3.333 7.715 1.00 0.00 C ATOM 1391 O VAL B 234 -1.366 2.918 7.172 1.00 0.00 O ATOM 1392 CB VAL B 234 -0.044 5.792 8.327 1.00 0.00 C ATOM 1393 CG1 VAL B 234 -0.680 6.090 6.969 1.00 0.00 C ATOM 1394 CG2 VAL B 234 -0.427 6.855 9.359 1.00 0.00 C ATOM 0 H VAL B 234 1.351 4.443 9.927 1.00 0.00 H new ATOM 0 HA VAL B 234 -1.465 4.446 9.137 1.00 0.00 H new ATOM 0 HB VAL B 234 1.039 5.822 8.203 1.00 0.00 H new ATOM 0 HG11 VAL B 234 -0.394 7.091 6.645 1.00 0.00 H new ATOM 0 HG12 VAL B 234 -0.335 5.359 6.238 1.00 0.00 H new ATOM 0 HG13 VAL B 234 -1.765 6.033 7.055 1.00 0.00 H new ATOM 0 HG21 VAL B 234 -0.146 7.840 8.988 1.00 0.00 H new ATOM 0 HG22 VAL B 234 -1.503 6.825 9.530 1.00 0.00 H new ATOM 0 HG23 VAL B 234 0.095 6.657 10.296 1.00 0.00 H new ATOM 1404 N ALA B 235 0.881 2.925 7.418 1.00 0.00 N ATOM 1405 CA ALA B 235 1.109 1.923 6.392 1.00 0.00 C ATOM 1406 C ALA B 235 0.488 0.596 6.835 1.00 0.00 C ATOM 1407 O ALA B 235 -0.191 -0.068 6.053 1.00 0.00 O ATOM 1408 CB ALA B 235 2.609 1.801 6.121 1.00 0.00 C ATOM 0 H ALA B 235 1.727 3.271 7.871 1.00 0.00 H new ATOM 0 HA ALA B 235 0.631 2.216 5.457 1.00 0.00 H new ATOM 0 HB1 ALA B 235 2.780 1.049 5.351 1.00 0.00 H new ATOM 0 HB2 ALA B 235 2.997 2.762 5.782 1.00 0.00 H new ATOM 0 HB3 ALA B 235 3.121 1.505 7.037 1.00 0.00 H new ATOM 1414 N ALA B 236 0.743 0.250 8.088 1.00 0.00 N ATOM 1415 CA ALA B 236 0.216 -0.986 8.645 1.00 0.00 C ATOM 1416 C ALA B 236 -1.304 -1.009 8.477 1.00 0.00 C ATOM 1417 O ALA B 236 -1.867 -2.003 8.019 1.00 0.00 O ATOM 1418 CB ALA B 236 0.643 -1.108 10.109 1.00 0.00 C ATOM 0 H ALA B 236 1.307 0.803 8.734 1.00 0.00 H new ATOM 0 HA ALA B 236 0.619 -1.849 8.115 1.00 0.00 H new ATOM 0 HB1 ALA B 236 0.248 -2.034 10.527 1.00 0.00 H new ATOM 0 HB2 ALA B 236 1.731 -1.117 10.171 1.00 0.00 H new ATOM 0 HB3 ALA B 236 0.254 -0.260 10.673 1.00 0.00 H new ATOM 1424 N GLU B 237 -1.926 0.098 8.855 1.00 0.00 N ATOM 1425 CA GLU B 237 -3.371 0.217 8.751 1.00 0.00 C ATOM 1426 C GLU B 237 -3.799 0.223 7.283 1.00 0.00 C ATOM 1427 O GLU B 237 -4.853 -0.309 6.938 1.00 0.00 O ATOM 1428 CB GLU B 237 -3.871 1.469 9.474 1.00 0.00 C ATOM 1429 CG GLU B 237 -4.307 1.140 10.904 1.00 0.00 C ATOM 1430 CD GLU B 237 -5.771 1.521 11.131 1.00 0.00 C ATOM 1431 OE1 GLU B 237 -6.624 0.947 10.420 1.00 0.00 O ATOM 1432 OE2 GLU B 237 -6.004 2.379 12.010 1.00 0.00 O ATOM 0 H GLU B 237 -1.456 0.920 9.234 1.00 0.00 H new ATOM 0 HA GLU B 237 -3.823 -0.648 9.237 1.00 0.00 H new ATOM 0 HB2 GLU B 237 -3.082 2.221 9.495 1.00 0.00 H new ATOM 0 HB3 GLU B 237 -4.708 1.900 8.925 1.00 0.00 H new ATOM 0 HG2 GLU B 237 -4.171 0.075 11.094 1.00 0.00 H new ATOM 0 HG3 GLU B 237 -3.674 1.674 11.613 1.00 0.00 H new ATOM 1439 N VAL B 238 -2.959 0.830 6.457 1.00 0.00 N ATOM 1440 CA VAL B 238 -3.237 0.913 5.033 1.00 0.00 C ATOM 1441 C VAL B 238 -3.186 -0.491 4.426 1.00 0.00 C ATOM 1442 O VAL B 238 -4.112 -0.904 3.729 1.00 0.00 O ATOM 1443 CB VAL B 238 -2.267 1.889 4.366 1.00 0.00 C ATOM 1444 CG1 VAL B 238 -1.829 1.374 2.994 1.00 0.00 C ATOM 1445 CG2 VAL B 238 -2.883 3.285 4.257 1.00 0.00 C ATOM 0 H VAL B 238 -2.085 1.269 6.747 1.00 0.00 H new ATOM 0 HA VAL B 238 -4.239 1.305 4.861 1.00 0.00 H new ATOM 0 HB VAL B 238 -1.380 1.963 4.995 1.00 0.00 H new ATOM 0 HG11 VAL B 238 -1.140 2.086 2.541 1.00 0.00 H new ATOM 0 HG12 VAL B 238 -1.332 0.411 3.109 1.00 0.00 H new ATOM 0 HG13 VAL B 238 -2.703 1.257 2.353 1.00 0.00 H new ATOM 0 HG21 VAL B 238 -2.173 3.960 3.779 1.00 0.00 H new ATOM 0 HG22 VAL B 238 -3.794 3.235 3.660 1.00 0.00 H new ATOM 0 HG23 VAL B 238 -3.122 3.656 5.254 1.00 0.00 H new ATOM 1455 N ILE B 239 -2.094 -1.184 4.713 1.00 0.00 N ATOM 1456 CA ILE B 239 -1.909 -2.534 4.203 1.00 0.00 C ATOM 1457 C ILE B 239 -3.019 -3.436 4.746 1.00 0.00 C ATOM 1458 O ILE B 239 -3.678 -4.141 3.985 1.00 0.00 O ATOM 1459 CB ILE B 239 -0.499 -3.036 4.516 1.00 0.00 C ATOM 1460 CG1 ILE B 239 0.556 -2.194 3.797 1.00 0.00 C ATOM 1461 CG2 ILE B 239 -0.362 -4.525 4.192 1.00 0.00 C ATOM 1462 CD1 ILE B 239 0.310 -2.179 2.287 1.00 0.00 C ATOM 0 H ILE B 239 -1.329 -0.837 5.291 1.00 0.00 H new ATOM 0 HA ILE B 239 -1.992 -2.546 3.116 1.00 0.00 H new ATOM 0 HB ILE B 239 -0.327 -2.922 5.586 1.00 0.00 H new ATOM 0 HG12 ILE B 239 0.537 -1.175 4.182 1.00 0.00 H new ATOM 0 HG13 ILE B 239 1.549 -2.594 4.003 1.00 0.00 H new ATOM 0 HG21 ILE B 239 0.650 -4.856 4.424 1.00 0.00 H new ATOM 0 HG22 ILE B 239 -1.075 -5.094 4.788 1.00 0.00 H new ATOM 0 HG23 ILE B 239 -0.563 -4.687 3.133 1.00 0.00 H new ATOM 0 HD11 ILE B 239 1.074 -1.573 1.800 1.00 0.00 H new ATOM 0 HD12 ILE B 239 0.354 -3.197 1.901 1.00 0.00 H new ATOM 0 HD13 ILE B 239 -0.673 -1.755 2.083 1.00 0.00 H new ATOM 1474 N LYS B 240 -3.191 -3.383 6.059 1.00 0.00 N ATOM 1475 CA LYS B 240 -4.210 -4.187 6.713 1.00 0.00 C ATOM 1476 C LYS B 240 -5.590 -3.771 6.199 1.00 0.00 C ATOM 1477 O LYS B 240 -6.430 -4.622 5.908 1.00 0.00 O ATOM 1478 CB LYS B 240 -4.067 -4.098 8.234 1.00 0.00 C ATOM 1479 CG LYS B 240 -5.437 -4.145 8.916 1.00 0.00 C ATOM 1480 CD LYS B 240 -5.943 -2.735 9.227 1.00 0.00 C ATOM 1481 CE LYS B 240 -7.420 -2.759 9.626 1.00 0.00 C ATOM 1482 NZ LYS B 240 -7.558 -2.915 11.091 1.00 0.00 N ATOM 0 H LYS B 240 -2.642 -2.796 6.687 1.00 0.00 H new ATOM 0 HA LYS B 240 -4.082 -5.241 6.465 1.00 0.00 H new ATOM 0 HB2 LYS B 240 -3.449 -4.921 8.594 1.00 0.00 H new ATOM 0 HB3 LYS B 240 -3.555 -3.174 8.502 1.00 0.00 H new ATOM 0 HG2 LYS B 240 -6.151 -4.657 8.271 1.00 0.00 H new ATOM 0 HG3 LYS B 240 -5.369 -4.722 9.838 1.00 0.00 H new ATOM 0 HD2 LYS B 240 -5.352 -2.302 10.034 1.00 0.00 H new ATOM 0 HD3 LYS B 240 -5.808 -2.096 8.355 1.00 0.00 H new ATOM 0 HE2 LYS B 240 -7.905 -1.837 9.305 1.00 0.00 H new ATOM 0 HE3 LYS B 240 -7.927 -3.579 9.118 1.00 0.00 H new ATOM 0 HZ1 LYS B 240 -8.566 -2.929 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 240 -7.113 -3.807 11.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 240 -7.092 -2.119 11.570 1.00 0.00 H new ATOM 1496 N ASP B 241 -5.780 -2.464 6.102 1.00 0.00 N ATOM 1497 CA ASP B 241 -7.044 -1.925 5.628 1.00 0.00 C ATOM 1498 C ASP B 241 -7.337 -2.478 4.233 1.00 0.00 C ATOM 1499 O ASP B 241 -8.459 -2.899 3.951 1.00 0.00 O ATOM 1500 CB ASP B 241 -6.990 -0.399 5.530 1.00 0.00 C ATOM 1501 CG ASP B 241 -8.152 0.242 4.770 1.00 0.00 C ATOM 1502 OD1 ASP B 241 -9.277 0.205 5.316 1.00 0.00 O ATOM 1503 OD2 ASP B 241 -7.892 0.753 3.660 1.00 0.00 O ATOM 0 H ASP B 241 -5.080 -1.762 6.343 1.00 0.00 H new ATOM 0 HA ASP B 241 -7.821 -2.213 6.336 1.00 0.00 H new ATOM 0 HB2 ASP B 241 -6.963 0.014 6.538 1.00 0.00 H new ATOM 0 HB3 ASP B 241 -6.057 -0.114 5.044 1.00 0.00 H new ATOM 1508 N LEU B 242 -6.311 -2.460 3.396 1.00 0.00 N ATOM 1509 CA LEU B 242 -6.445 -2.955 2.035 1.00 0.00 C ATOM 1510 C LEU B 242 -6.804 -4.442 2.072 1.00 0.00 C ATOM 1511 O LEU B 242 -7.775 -4.866 1.447 1.00 0.00 O ATOM 1512 CB LEU B 242 -5.184 -2.646 1.226 1.00 0.00 C ATOM 1513 CG LEU B 242 -5.140 -1.273 0.552 1.00 0.00 C ATOM 1514 CD1 LEU B 242 -3.980 -0.434 1.094 1.00 0.00 C ATOM 1515 CD2 LEU B 242 -5.085 -1.411 -0.970 1.00 0.00 C ATOM 0 H LEU B 242 -5.383 -2.111 3.633 1.00 0.00 H new ATOM 0 HA LEU B 242 -7.258 -2.443 1.521 1.00 0.00 H new ATOM 0 HB2 LEU B 242 -4.322 -2.732 1.887 1.00 0.00 H new ATOM 0 HB3 LEU B 242 -5.073 -3.410 0.457 1.00 0.00 H new ATOM 0 HG LEU B 242 -6.062 -0.744 0.794 1.00 0.00 H new ATOM 0 HD11 LEU B 242 -3.971 0.537 0.599 1.00 0.00 H new ATOM 0 HD12 LEU B 242 -4.104 -0.293 2.168 1.00 0.00 H new ATOM 0 HD13 LEU B 242 -3.038 -0.948 0.902 1.00 0.00 H new ATOM 0 HD21 LEU B 242 -5.054 -0.421 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU B 242 -4.192 -1.968 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU B 242 -5.970 -1.943 -1.319 1.00 0.00 H new ATOM 1527 N VAL B 243 -5.999 -5.195 2.810 1.00 0.00 N ATOM 1528 CA VAL B 243 -6.220 -6.625 2.935 1.00 0.00 C ATOM 1529 C VAL B 243 -7.588 -6.872 3.572 1.00 0.00 C ATOM 1530 O VAL B 243 -8.343 -7.730 3.117 1.00 0.00 O ATOM 1531 CB VAL B 243 -5.071 -7.264 3.719 1.00 0.00 C ATOM 1532 CG1 VAL B 243 -5.579 -8.409 4.599 1.00 0.00 C ATOM 1533 CG2 VAL B 243 -3.965 -7.745 2.777 1.00 0.00 C ATOM 0 H VAL B 243 -5.194 -4.841 3.326 1.00 0.00 H new ATOM 0 HA VAL B 243 -6.229 -7.098 1.953 1.00 0.00 H new ATOM 0 HB VAL B 243 -4.646 -6.502 4.372 1.00 0.00 H new ATOM 0 HG11 VAL B 243 -4.743 -8.846 5.145 1.00 0.00 H new ATOM 0 HG12 VAL B 243 -6.314 -8.026 5.306 1.00 0.00 H new ATOM 0 HG13 VAL B 243 -6.042 -9.172 3.973 1.00 0.00 H new ATOM 0 HG21 VAL B 243 -3.161 -8.195 3.360 1.00 0.00 H new ATOM 0 HG22 VAL B 243 -4.371 -8.485 2.087 1.00 0.00 H new ATOM 0 HG23 VAL B 243 -3.574 -6.898 2.212 1.00 0.00 H new ATOM 1543 N ASN B 244 -7.868 -6.104 4.615 1.00 0.00 N ATOM 1544 CA ASN B 244 -9.132 -6.229 5.320 1.00 0.00 C ATOM 1545 C ASN B 244 -10.283 -6.056 4.326 1.00 0.00 C ATOM 1546 O ASN B 244 -11.296 -6.747 4.418 1.00 0.00 O ATOM 1547 CB ASN B 244 -9.271 -5.152 6.396 1.00 0.00 C ATOM 1548 CG ASN B 244 -9.018 -5.732 7.788 1.00 0.00 C ATOM 1549 OD1 ASN B 244 -7.805 -6.255 7.944 1.00 0.00 O flip ATOM 1550 ND2 ASN B 244 -9.868 -5.708 8.664 1.00 0.00 N flip ATOM 0 H ASN B 244 -7.240 -5.392 4.989 1.00 0.00 H new ATOM 0 HA ASN B 244 -9.162 -7.213 5.789 1.00 0.00 H new ATOM 0 HB2 ASN B 244 -8.565 -4.345 6.201 1.00 0.00 H new ATOM 0 HB3 ASN B 244 -10.270 -4.719 6.355 1.00 0.00 H new ATOM 0 HD21 ASN B 244 -10.780 -5.291 8.478 1.00 0.00 H new ATOM 0 HD22 ASN B 244 -9.666 -6.105 9.582 1.00 0.00 H new ATOM 1557 N THR B 245 -10.088 -5.130 3.398 1.00 0.00 N ATOM 1558 CA THR B 245 -11.097 -4.858 2.389 1.00 0.00 C ATOM 1559 C THR B 245 -11.124 -5.977 1.346 1.00 0.00 C ATOM 1560 O THR B 245 -12.191 -6.362 0.870 1.00 0.00 O ATOM 1561 CB THR B 245 -10.809 -3.479 1.793 1.00 0.00 C ATOM 1562 OG1 THR B 245 -11.012 -2.581 2.879 1.00 0.00 O ATOM 1563 CG2 THR B 245 -11.855 -3.057 0.760 1.00 0.00 C ATOM 0 H THR B 245 -9.246 -4.559 3.324 1.00 0.00 H new ATOM 0 HA THR B 245 -12.096 -4.838 2.824 1.00 0.00 H new ATOM 0 HB THR B 245 -9.823 -3.484 1.329 1.00 0.00 H new ATOM 0 HG1 THR B 245 -10.197 -2.535 3.422 1.00 0.00 H new ATOM 0 HG21 THR B 245 -11.603 -2.071 0.369 1.00 0.00 H new ATOM 0 HG22 THR B 245 -11.871 -3.778 -0.057 1.00 0.00 H new ATOM 0 HG23 THR B 245 -12.837 -3.020 1.231 1.00 0.00 H new