USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 523 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 60 ASN : amide:sc= -2.81! C(o=-3!,f=-16!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.176 USER MOD Set 2.1: A 51 MET CE :methyl 152:sc= 0 (180deg=-0.00411) USER MOD Set 2.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 49 GLN : amide:sc= 0.737 K(o=-0.29,f=-2) USER MOD Set 3.2: A 53 ASN : amide:sc= -1.02 K(o=-0.29,f=-2!) USER MOD Set 4.1: A 36 MET CE :methyl 175:sc= -0.561 (180deg=-0.06) USER MOD Set 4.2: A 41 GLN : amide:sc= -0.469 K(o=-1,f=-7!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -1.44 (180deg=-2.05) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 162:sc=-0.00976 (180deg=-0.201) USER MOD Single : A 26 THR OG1 : rot 180:sc= -2.34! USER MOD Single : A 28 THR OG1 : rot -110:sc= -0.54 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 78:sc= 0.0367 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN :FLIP amide:sc= -1.81 F(o=-2.4!,f=-1.8) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 70 THR OG1 : rot 80:sc= 0.188 USER MOD Single : A 72 MET CE :methyl -164:sc= -3.33! (180deg=-4.16!) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= -1.48! (180deg=-2.19) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 13.859 4.399 -10.071 1.00 0.23 N ATOM 60 CA THR A 5 14.885 3.539 -10.731 1.00 0.31 C ATOM 61 C THR A 5 14.555 2.063 -10.475 1.00 0.37 C ATOM 62 O THR A 5 13.698 1.739 -9.678 1.00 0.39 O ATOM 63 CB THR A 5 16.264 3.857 -10.146 1.00 0.29 C ATOM 64 OG1 THR A 5 16.367 3.291 -8.847 1.00 0.29 O ATOM 65 CG2 THR A 5 16.447 5.373 -10.061 1.00 0.22 C ATOM 0 HA THR A 5 14.887 3.732 -11.804 1.00 0.31 H new ATOM 0 HB THR A 5 17.038 3.436 -10.788 1.00 0.29 H new ATOM 0 HG1 THR A 5 17.250 3.492 -8.472 1.00 0.29 H new ATOM 0 HG21 THR A 5 17.429 5.598 -9.644 1.00 0.22 H new ATOM 0 HG22 THR A 5 16.368 5.806 -11.058 1.00 0.22 H new ATOM 0 HG23 THR A 5 15.675 5.797 -9.419 1.00 0.22 H new ATOM 73 N GLU A 6 15.232 1.166 -11.139 1.00 0.42 N ATOM 74 CA GLU A 6 14.952 -0.282 -10.921 1.00 0.49 C ATOM 75 C GLU A 6 15.183 -0.622 -9.447 1.00 0.49 C ATOM 76 O GLU A 6 14.469 -1.417 -8.869 1.00 0.53 O ATOM 77 CB GLU A 6 15.880 -1.125 -11.805 1.00 0.55 C ATOM 78 CG GLU A 6 15.306 -2.537 -11.967 1.00 1.15 C ATOM 79 CD GLU A 6 15.281 -3.243 -10.609 1.00 1.06 C ATOM 80 OE1 GLU A 6 16.316 -3.281 -9.965 1.00 0.89 O ATOM 81 OE2 GLU A 6 14.228 -3.732 -10.237 1.00 2.08 O ATOM 0 H GLU A 6 15.963 1.372 -11.820 1.00 0.42 H new ATOM 0 HA GLU A 6 13.917 -0.501 -11.185 1.00 0.49 H new ATOM 0 HB2 GLU A 6 15.992 -0.654 -12.782 1.00 0.55 H new ATOM 0 HB3 GLU A 6 16.874 -1.176 -11.360 1.00 0.55 H new ATOM 0 HG2 GLU A 6 14.298 -2.485 -12.379 1.00 1.15 H new ATOM 0 HG3 GLU A 6 15.910 -3.107 -12.673 1.00 1.15 H new ATOM 88 N GLU A 7 16.164 -0.025 -8.828 1.00 0.47 N ATOM 89 CA GLU A 7 16.413 -0.323 -7.389 1.00 0.49 C ATOM 90 C GLU A 7 15.271 0.261 -6.558 1.00 0.46 C ATOM 91 O GLU A 7 14.628 -0.440 -5.802 1.00 0.56 O ATOM 92 CB GLU A 7 17.737 0.311 -6.956 1.00 0.46 C ATOM 93 CG GLU A 7 18.892 -0.358 -7.702 1.00 0.60 C ATOM 94 CD GLU A 7 20.220 0.212 -7.202 1.00 1.95 C ATOM 95 OE1 GLU A 7 20.183 1.172 -6.449 1.00 2.18 O ATOM 96 OE2 GLU A 7 21.250 -0.320 -7.579 1.00 3.20 O ATOM 0 H GLU A 7 16.799 0.651 -9.252 1.00 0.47 H new ATOM 0 HA GLU A 7 16.466 -1.401 -7.239 1.00 0.49 H new ATOM 0 HB2 GLU A 7 17.726 1.381 -7.166 1.00 0.46 H new ATOM 0 HB3 GLU A 7 17.871 0.199 -5.880 1.00 0.46 H new ATOM 0 HG2 GLU A 7 18.865 -1.436 -7.545 1.00 0.60 H new ATOM 0 HG3 GLU A 7 18.792 -0.190 -8.774 1.00 0.60 H new ATOM 103 N GLN A 8 15.008 1.534 -6.677 1.00 0.33 N ATOM 104 CA GLN A 8 13.904 2.133 -5.874 1.00 0.30 C ATOM 105 C GLN A 8 12.648 1.269 -6.011 1.00 0.29 C ATOM 106 O GLN A 8 11.968 0.983 -5.043 1.00 0.28 O ATOM 107 CB GLN A 8 13.610 3.549 -6.374 1.00 0.30 C ATOM 108 CG GLN A 8 14.813 4.450 -6.089 1.00 0.29 C ATOM 109 CD GLN A 8 14.494 5.881 -6.527 1.00 0.34 C ATOM 110 OE1 GLN A 8 13.458 6.134 -7.109 1.00 0.59 O ATOM 111 NE2 GLN A 8 15.346 6.835 -6.269 1.00 0.97 N ATOM 0 H GLN A 8 15.505 2.180 -7.290 1.00 0.33 H new ATOM 0 HA GLN A 8 14.203 2.178 -4.827 1.00 0.30 H new ATOM 0 HB2 GLN A 8 13.400 3.532 -7.443 1.00 0.30 H new ATOM 0 HB3 GLN A 8 12.722 3.943 -5.881 1.00 0.30 H new ATOM 0 HG2 GLN A 8 15.053 4.429 -5.026 1.00 0.29 H new ATOM 0 HG3 GLN A 8 15.690 4.082 -6.621 1.00 0.29 H new ATOM 0 HE21 GLN A 8 16.216 6.623 -5.780 1.00 0.97 H new ATOM 0 HE22 GLN A 8 15.142 7.792 -6.556 1.00 0.97 H new ATOM 120 N ILE A 9 12.343 0.835 -7.205 1.00 0.30 N ATOM 121 CA ILE A 9 11.143 -0.023 -7.399 1.00 0.29 C ATOM 122 C ILE A 9 11.312 -1.301 -6.576 1.00 0.26 C ATOM 123 O ILE A 9 10.429 -1.708 -5.847 1.00 0.25 O ATOM 124 CB ILE A 9 11.003 -0.379 -8.881 1.00 0.29 C ATOM 125 CG1 ILE A 9 10.664 0.887 -9.674 1.00 0.36 C ATOM 126 CG2 ILE A 9 9.883 -1.410 -9.057 1.00 0.29 C ATOM 127 CD1 ILE A 9 10.752 0.596 -11.174 1.00 0.36 C ATOM 0 H ILE A 9 12.874 1.038 -8.052 1.00 0.30 H new ATOM 0 HA ILE A 9 10.249 0.509 -7.074 1.00 0.29 H new ATOM 0 HB ILE A 9 11.940 -0.799 -9.246 1.00 0.29 H new ATOM 0 HG12 ILE A 9 9.661 1.230 -9.419 1.00 0.36 H new ATOM 0 HG13 ILE A 9 11.353 1.689 -9.408 1.00 0.36 H new ATOM 0 HG21 ILE A 9 9.784 -1.663 -10.113 1.00 0.29 H new ATOM 0 HG22 ILE A 9 10.124 -2.309 -8.489 1.00 0.29 H new ATOM 0 HG23 ILE A 9 8.944 -0.992 -8.694 1.00 0.29 H new ATOM 0 HD11 ILE A 9 10.510 1.499 -11.735 1.00 0.36 H new ATOM 0 HD12 ILE A 9 11.763 0.274 -11.423 1.00 0.36 H new ATOM 0 HD13 ILE A 9 10.046 -0.192 -11.434 1.00 0.36 H new ATOM 139 N ALA A 10 12.446 -1.936 -6.695 1.00 0.25 N ATOM 140 CA ALA A 10 12.686 -3.190 -5.931 1.00 0.22 C ATOM 141 C ALA A 10 12.398 -2.949 -4.448 1.00 0.20 C ATOM 142 O ALA A 10 11.709 -3.712 -3.802 1.00 0.30 O ATOM 143 CB ALA A 10 14.142 -3.626 -6.106 1.00 0.25 C ATOM 0 H ALA A 10 13.218 -1.638 -7.291 1.00 0.25 H new ATOM 0 HA ALA A 10 12.027 -3.973 -6.305 1.00 0.22 H new ATOM 0 HB1 ALA A 10 14.317 -4.545 -5.546 1.00 0.25 H new ATOM 0 HB2 ALA A 10 14.345 -3.801 -7.163 1.00 0.25 H new ATOM 0 HB3 ALA A 10 14.803 -2.843 -5.734 1.00 0.25 H new ATOM 149 N GLU A 11 12.916 -1.876 -3.915 1.00 0.16 N ATOM 150 CA GLU A 11 12.677 -1.553 -2.481 1.00 0.16 C ATOM 151 C GLU A 11 11.176 -1.502 -2.208 1.00 0.12 C ATOM 152 O GLU A 11 10.686 -2.120 -1.283 1.00 0.12 O ATOM 153 CB GLU A 11 13.299 -0.196 -2.149 1.00 0.23 C ATOM 154 CG GLU A 11 14.824 -0.315 -2.156 1.00 0.85 C ATOM 155 CD GLU A 11 15.442 1.025 -1.755 1.00 1.20 C ATOM 156 OE1 GLU A 11 14.700 1.986 -1.638 1.00 1.92 O ATOM 157 OE2 GLU A 11 16.647 1.067 -1.571 1.00 1.54 O ATOM 0 H GLU A 11 13.499 -1.205 -4.416 1.00 0.16 H new ATOM 0 HA GLU A 11 13.133 -2.324 -1.860 1.00 0.16 H new ATOM 0 HB2 GLU A 11 12.979 0.550 -2.877 1.00 0.23 H new ATOM 0 HB3 GLU A 11 12.955 0.144 -1.172 1.00 0.23 H new ATOM 0 HG2 GLU A 11 15.142 -1.095 -1.465 1.00 0.85 H new ATOM 0 HG3 GLU A 11 15.172 -0.606 -3.147 1.00 0.85 H new ATOM 164 N PHE A 12 10.432 -0.787 -3.006 1.00 0.11 N ATOM 165 CA PHE A 12 8.963 -0.728 -2.776 1.00 0.07 C ATOM 166 C PHE A 12 8.370 -2.118 -3.007 1.00 0.04 C ATOM 167 O PHE A 12 7.468 -2.534 -2.309 1.00 0.06 O ATOM 168 CB PHE A 12 8.322 0.289 -3.724 1.00 0.04 C ATOM 169 CG PHE A 12 8.834 1.675 -3.394 1.00 0.13 C ATOM 170 CD1 PHE A 12 8.540 2.251 -2.151 1.00 2.23 C ATOM 171 CD2 PHE A 12 9.603 2.384 -4.327 1.00 2.03 C ATOM 172 CE1 PHE A 12 9.014 3.532 -1.843 1.00 2.27 C ATOM 173 CE2 PHE A 12 10.077 3.664 -4.017 1.00 1.99 C ATOM 174 CZ PHE A 12 9.783 4.238 -2.775 1.00 0.30 C ATOM 0 H PHE A 12 10.774 -0.246 -3.800 1.00 0.11 H new ATOM 0 HA PHE A 12 8.763 -0.413 -1.752 1.00 0.07 H new ATOM 0 HB2 PHE A 12 8.559 0.038 -4.758 1.00 0.04 H new ATOM 0 HB3 PHE A 12 7.237 0.258 -3.629 1.00 0.04 H new ATOM 0 HD1 PHE A 12 7.948 1.707 -1.430 1.00 2.23 H new ATOM 0 HD2 PHE A 12 9.830 1.942 -5.286 1.00 2.03 H new ATOM 0 HE1 PHE A 12 8.786 3.976 -0.885 1.00 2.27 H new ATOM 0 HE2 PHE A 12 10.670 4.209 -4.737 1.00 1.99 H new ATOM 0 HZ PHE A 12 10.149 5.225 -2.536 1.00 0.30 H new ATOM 184 N LYS A 13 8.870 -2.852 -3.966 1.00 0.04 N ATOM 185 CA LYS A 13 8.324 -4.218 -4.205 1.00 0.04 C ATOM 186 C LYS A 13 8.480 -5.036 -2.923 1.00 0.06 C ATOM 187 O LYS A 13 7.569 -5.714 -2.492 1.00 0.10 O ATOM 188 CB LYS A 13 9.089 -4.890 -5.347 1.00 0.06 C ATOM 189 CG LYS A 13 8.418 -6.219 -5.698 1.00 0.14 C ATOM 190 CD LYS A 13 9.013 -6.769 -6.998 1.00 0.04 C ATOM 191 CE LYS A 13 10.529 -6.928 -6.849 1.00 0.14 C ATOM 192 NZ LYS A 13 10.850 -7.435 -5.485 1.00 0.79 N ATOM 0 H LYS A 13 9.626 -2.567 -4.589 1.00 0.04 H new ATOM 0 HA LYS A 13 7.271 -4.155 -4.480 1.00 0.04 H new ATOM 0 HB2 LYS A 13 9.107 -4.238 -6.220 1.00 0.06 H new ATOM 0 HB3 LYS A 13 10.125 -5.060 -5.054 1.00 0.06 H new ATOM 0 HG2 LYS A 13 8.562 -6.935 -4.889 1.00 0.14 H new ATOM 0 HG3 LYS A 13 7.343 -6.077 -5.810 1.00 0.14 H new ATOM 0 HD2 LYS A 13 8.559 -7.731 -7.238 1.00 0.04 H new ATOM 0 HD3 LYS A 13 8.788 -6.095 -7.825 1.00 0.04 H new ATOM 0 HE2 LYS A 13 10.908 -7.619 -7.602 1.00 0.14 H new ATOM 0 HE3 LYS A 13 11.023 -5.971 -7.017 1.00 0.14 H new ATOM 0 HZ1 LYS A 13 11.771 -7.918 -5.502 1.00 0.79 H new ATOM 0 HZ2 LYS A 13 10.889 -6.638 -4.819 1.00 0.79 H new ATOM 0 HZ3 LYS A 13 10.114 -8.104 -5.181 1.00 0.79 H new ATOM 206 N GLU A 14 9.622 -4.962 -2.295 1.00 0.06 N ATOM 207 CA GLU A 14 9.822 -5.718 -1.027 1.00 0.09 C ATOM 208 C GLU A 14 8.819 -5.203 0.004 1.00 0.10 C ATOM 209 O GLU A 14 8.220 -5.958 0.750 1.00 0.18 O ATOM 210 CB GLU A 14 11.245 -5.489 -0.514 1.00 0.11 C ATOM 211 CG GLU A 14 12.250 -6.052 -1.521 1.00 0.26 C ATOM 212 CD GLU A 14 12.113 -7.574 -1.585 1.00 0.79 C ATOM 213 OE1 GLU A 14 11.525 -8.135 -0.675 1.00 2.01 O ATOM 214 OE2 GLU A 14 12.599 -8.153 -2.542 1.00 0.55 O ATOM 0 H GLU A 14 10.423 -4.412 -2.605 1.00 0.06 H new ATOM 0 HA GLU A 14 9.673 -6.784 -1.197 1.00 0.09 H new ATOM 0 HB2 GLU A 14 11.422 -4.424 -0.365 1.00 0.11 H new ATOM 0 HB3 GLU A 14 11.376 -5.972 0.454 1.00 0.11 H new ATOM 0 HG2 GLU A 14 12.075 -5.619 -2.506 1.00 0.26 H new ATOM 0 HG3 GLU A 14 13.264 -5.780 -1.229 1.00 0.26 H new ATOM 221 N ALA A 15 8.613 -3.915 0.030 1.00 0.03 N ATOM 222 CA ALA A 15 7.635 -3.345 0.991 1.00 0.08 C ATOM 223 C ALA A 15 6.243 -3.857 0.633 1.00 0.11 C ATOM 224 O ALA A 15 5.460 -4.187 1.496 1.00 0.16 O ATOM 225 CB ALA A 15 7.665 -1.816 0.927 1.00 0.10 C ATOM 0 H ALA A 15 9.080 -3.236 -0.572 1.00 0.03 H new ATOM 0 HA ALA A 15 7.892 -3.652 2.005 1.00 0.08 H new ATOM 0 HB1 ALA A 15 6.944 -1.408 1.636 1.00 0.10 H new ATOM 0 HB2 ALA A 15 8.664 -1.461 1.180 1.00 0.10 H new ATOM 0 HB3 ALA A 15 7.408 -1.489 -0.081 1.00 0.10 H new ATOM 231 N PHE A 16 5.929 -3.955 -0.629 1.00 0.07 N ATOM 232 CA PHE A 16 4.591 -4.474 -1.021 1.00 0.08 C ATOM 233 C PHE A 16 4.417 -5.877 -0.436 1.00 0.09 C ATOM 234 O PHE A 16 3.386 -6.214 0.110 1.00 0.14 O ATOM 235 CB PHE A 16 4.502 -4.527 -2.552 1.00 0.09 C ATOM 236 CG PHE A 16 3.263 -5.290 -2.965 1.00 0.07 C ATOM 237 CD1 PHE A 16 2.000 -4.722 -2.778 1.00 0.05 C ATOM 238 CD2 PHE A 16 3.379 -6.568 -3.527 1.00 0.11 C ATOM 239 CE1 PHE A 16 0.852 -5.430 -3.151 1.00 0.04 C ATOM 240 CE2 PHE A 16 2.232 -7.277 -3.899 1.00 0.11 C ATOM 241 CZ PHE A 16 0.967 -6.707 -3.711 1.00 0.07 C ATOM 0 H PHE A 16 6.541 -3.698 -1.404 1.00 0.07 H new ATOM 0 HA PHE A 16 3.804 -3.822 -0.641 1.00 0.08 H new ATOM 0 HB2 PHE A 16 4.471 -3.516 -2.959 1.00 0.09 H new ATOM 0 HB3 PHE A 16 5.390 -5.008 -2.961 1.00 0.09 H new ATOM 0 HD1 PHE A 16 1.910 -3.736 -2.346 1.00 0.05 H new ATOM 0 HD2 PHE A 16 4.355 -7.006 -3.673 1.00 0.11 H new ATOM 0 HE1 PHE A 16 -0.124 -4.990 -3.006 1.00 0.04 H new ATOM 0 HE2 PHE A 16 2.322 -8.263 -4.331 1.00 0.11 H new ATOM 0 HZ PHE A 16 0.080 -7.253 -3.998 1.00 0.07 H new ATOM 251 N SER A 17 5.423 -6.699 -0.559 1.00 0.20 N ATOM 252 CA SER A 17 5.328 -8.086 -0.028 1.00 0.22 C ATOM 253 C SER A 17 5.084 -8.057 1.482 1.00 0.20 C ATOM 254 O SER A 17 4.322 -8.840 2.013 1.00 0.21 O ATOM 255 CB SER A 17 6.630 -8.834 -0.318 1.00 0.32 C ATOM 256 OG SER A 17 6.900 -8.779 -1.713 1.00 1.06 O ATOM 0 H SER A 17 6.310 -6.467 -1.007 1.00 0.20 H new ATOM 0 HA SER A 17 4.495 -8.595 -0.513 1.00 0.22 H new ATOM 0 HB2 SER A 17 7.452 -8.388 0.242 1.00 0.32 H new ATOM 0 HB3 SER A 17 6.548 -9.871 0.008 1.00 0.32 H new ATOM 0 HG SER A 17 7.735 -9.256 -1.904 1.00 1.06 H new ATOM 262 N LEU A 18 5.726 -7.157 2.178 1.00 0.23 N ATOM 263 CA LEU A 18 5.528 -7.082 3.656 1.00 0.23 C ATOM 264 C LEU A 18 4.025 -6.966 3.960 1.00 0.18 C ATOM 265 O LEU A 18 3.517 -7.597 4.866 1.00 0.20 O ATOM 266 CB LEU A 18 6.285 -5.853 4.217 1.00 0.26 C ATOM 267 CG LEU A 18 7.683 -6.239 4.754 1.00 0.18 C ATOM 268 CD1 LEU A 18 7.560 -6.849 6.159 1.00 0.27 C ATOM 269 CD2 LEU A 18 8.385 -7.237 3.807 1.00 0.12 C ATOM 0 H LEU A 18 6.376 -6.473 1.790 1.00 0.23 H new ATOM 0 HA LEU A 18 5.919 -7.983 4.129 1.00 0.23 H new ATOM 0 HB2 LEU A 18 6.390 -5.102 3.434 1.00 0.26 H new ATOM 0 HB3 LEU A 18 5.700 -5.399 5.017 1.00 0.26 H new ATOM 0 HG LEU A 18 8.287 -5.333 4.807 1.00 0.18 H new ATOM 0 HD11 LEU A 18 8.550 -7.117 6.527 1.00 0.27 H new ATOM 0 HD12 LEU A 18 7.107 -6.122 6.833 1.00 0.27 H new ATOM 0 HD13 LEU A 18 6.936 -7.741 6.115 1.00 0.27 H new ATOM 0 HD21 LEU A 18 9.366 -7.491 4.209 1.00 0.12 H new ATOM 0 HD22 LEU A 18 7.783 -8.141 3.720 1.00 0.12 H new ATOM 0 HD23 LEU A 18 8.502 -6.784 2.823 1.00 0.12 H new ATOM 281 N PHE A 19 3.312 -6.172 3.208 1.00 0.15 N ATOM 282 CA PHE A 19 1.847 -6.027 3.454 1.00 0.11 C ATOM 283 C PHE A 19 1.126 -7.296 2.987 1.00 0.07 C ATOM 284 O PHE A 19 0.108 -7.674 3.532 1.00 0.07 O ATOM 285 CB PHE A 19 1.311 -4.811 2.686 1.00 0.10 C ATOM 286 CG PHE A 19 1.633 -3.535 3.432 1.00 0.06 C ATOM 287 CD1 PHE A 19 2.880 -2.923 3.267 1.00 0.08 C ATOM 288 CD2 PHE A 19 0.680 -2.957 4.278 1.00 0.07 C ATOM 289 CE1 PHE A 19 3.177 -1.738 3.948 1.00 0.08 C ATOM 290 CE2 PHE A 19 0.976 -1.769 4.960 1.00 0.04 C ATOM 291 CZ PHE A 19 2.225 -1.160 4.795 1.00 0.02 C ATOM 0 H PHE A 19 3.679 -5.618 2.435 1.00 0.15 H new ATOM 0 HA PHE A 19 1.669 -5.881 4.519 1.00 0.11 H new ATOM 0 HB2 PHE A 19 1.752 -4.779 1.690 1.00 0.10 H new ATOM 0 HB3 PHE A 19 0.233 -4.901 2.555 1.00 0.10 H new ATOM 0 HD1 PHE A 19 3.615 -3.367 2.612 1.00 0.08 H new ATOM 0 HD2 PHE A 19 -0.284 -3.427 4.405 1.00 0.07 H new ATOM 0 HE1 PHE A 19 4.141 -1.269 3.820 1.00 0.08 H new ATOM 0 HE2 PHE A 19 0.240 -1.323 5.613 1.00 0.04 H new ATOM 0 HZ PHE A 19 2.454 -0.245 5.321 1.00 0.02 H new ATOM 301 N ASP A 20 1.643 -7.965 1.991 1.00 0.06 N ATOM 302 CA ASP A 20 0.979 -9.214 1.512 1.00 0.05 C ATOM 303 C ASP A 20 1.404 -10.377 2.410 1.00 0.06 C ATOM 304 O ASP A 20 2.188 -11.222 2.024 1.00 0.09 O ATOM 305 CB ASP A 20 1.401 -9.499 0.069 1.00 0.09 C ATOM 306 CG ASP A 20 0.500 -10.586 -0.523 1.00 0.13 C ATOM 307 OD1 ASP A 20 -0.597 -10.761 -0.017 1.00 0.91 O ATOM 308 OD2 ASP A 20 0.923 -11.225 -1.472 1.00 1.13 O ATOM 0 H ASP A 20 2.492 -7.703 1.490 1.00 0.06 H new ATOM 0 HA ASP A 20 -0.104 -9.094 1.550 1.00 0.05 H new ATOM 0 HB2 ASP A 20 1.331 -8.589 -0.528 1.00 0.09 H new ATOM 0 HB3 ASP A 20 2.442 -9.820 0.040 1.00 0.09 H new ATOM 313 N LYS A 21 0.904 -10.414 3.614 1.00 0.05 N ATOM 314 CA LYS A 21 1.282 -11.502 4.561 1.00 0.08 C ATOM 315 C LYS A 21 0.790 -12.860 4.052 1.00 0.01 C ATOM 316 O LYS A 21 1.379 -13.882 4.340 1.00 0.02 O ATOM 317 CB LYS A 21 0.655 -11.218 5.927 1.00 0.15 C ATOM 318 CG LYS A 21 1.214 -12.197 6.960 1.00 0.16 C ATOM 319 CD LYS A 21 0.559 -11.935 8.318 1.00 0.20 C ATOM 320 CE LYS A 21 1.286 -12.738 9.399 1.00 0.35 C ATOM 321 NZ LYS A 21 2.595 -12.093 9.701 1.00 2.14 N ATOM 0 H LYS A 21 0.244 -9.731 3.986 1.00 0.05 H new ATOM 0 HA LYS A 21 2.368 -11.534 4.643 1.00 0.08 H new ATOM 0 HB2 LYS A 21 0.867 -10.193 6.230 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -0.429 -11.315 5.868 1.00 0.15 H new ATOM 0 HG2 LYS A 21 1.024 -13.223 6.645 1.00 0.16 H new ATOM 0 HG3 LYS A 21 2.295 -12.082 7.038 1.00 0.16 H new ATOM 0 HD2 LYS A 21 0.597 -10.871 8.553 1.00 0.20 H new ATOM 0 HD3 LYS A 21 -0.493 -12.217 8.287 1.00 0.20 H new ATOM 0 HE2 LYS A 21 0.677 -12.788 10.301 1.00 0.35 H new ATOM 0 HE3 LYS A 21 1.443 -13.763 9.062 1.00 0.35 H new ATOM 0 HZ1 LYS A 21 2.948 -12.436 10.617 1.00 2.14 H new ATOM 0 HZ2 LYS A 21 3.280 -12.331 8.955 1.00 2.14 H new ATOM 0 HZ3 LYS A 21 2.472 -11.061 9.742 1.00 2.14 H new ATOM 335 N ASP A 22 -0.292 -12.896 3.316 1.00 0.05 N ATOM 336 CA ASP A 22 -0.806 -14.213 2.825 1.00 0.12 C ATOM 337 C ASP A 22 -0.168 -14.565 1.476 1.00 0.17 C ATOM 338 O ASP A 22 -0.327 -15.657 0.970 1.00 0.24 O ATOM 339 CB ASP A 22 -2.327 -14.145 2.672 1.00 0.17 C ATOM 340 CG ASP A 22 -2.699 -13.036 1.690 1.00 0.26 C ATOM 341 OD1 ASP A 22 -1.829 -12.605 0.952 1.00 0.97 O ATOM 342 OD2 ASP A 22 -3.850 -12.632 1.696 1.00 0.81 O ATOM 0 H ASP A 22 -0.837 -12.081 3.036 1.00 0.05 H new ATOM 0 HA ASP A 22 -0.546 -14.985 3.549 1.00 0.12 H new ATOM 0 HB2 ASP A 22 -2.709 -15.102 2.316 1.00 0.17 H new ATOM 0 HB3 ASP A 22 -2.791 -13.957 3.640 1.00 0.17 H new ATOM 347 N GLY A 23 0.569 -13.653 0.901 1.00 0.16 N ATOM 348 CA GLY A 23 1.236 -13.937 -0.403 1.00 0.24 C ATOM 349 C GLY A 23 0.210 -13.983 -1.539 1.00 0.27 C ATOM 350 O GLY A 23 0.450 -14.575 -2.572 1.00 0.34 O ATOM 0 H GLY A 23 0.738 -12.721 1.279 1.00 0.16 H new ATOM 0 HA2 GLY A 23 1.981 -13.169 -0.611 1.00 0.24 H new ATOM 0 HA3 GLY A 23 1.766 -14.888 -0.346 1.00 0.24 H new ATOM 354 N ASP A 24 -0.939 -13.381 -1.362 1.00 0.23 N ATOM 355 CA ASP A 24 -1.971 -13.422 -2.446 1.00 0.28 C ATOM 356 C ASP A 24 -1.710 -12.309 -3.462 1.00 0.25 C ATOM 357 O ASP A 24 -2.395 -12.199 -4.460 1.00 0.30 O ATOM 358 CB ASP A 24 -3.363 -13.246 -1.835 1.00 0.31 C ATOM 359 CG ASP A 24 -3.441 -11.890 -1.125 1.00 0.54 C ATOM 360 OD1 ASP A 24 -2.547 -11.084 -1.325 1.00 1.66 O ATOM 361 OD2 ASP A 24 -4.391 -11.679 -0.390 1.00 0.49 O ATOM 0 H ASP A 24 -1.207 -12.867 -0.523 1.00 0.23 H new ATOM 0 HA ASP A 24 -1.916 -14.385 -2.954 1.00 0.28 H new ATOM 0 HB2 ASP A 24 -4.124 -13.305 -2.613 1.00 0.31 H new ATOM 0 HB3 ASP A 24 -3.566 -14.051 -1.129 1.00 0.31 H new ATOM 366 N GLY A 25 -0.723 -11.489 -3.233 1.00 0.17 N ATOM 367 CA GLY A 25 -0.425 -10.400 -4.204 1.00 0.13 C ATOM 368 C GLY A 25 -1.533 -9.345 -4.173 1.00 0.11 C ATOM 369 O GLY A 25 -1.615 -8.504 -5.046 1.00 0.09 O ATOM 0 H GLY A 25 -0.111 -11.525 -2.418 1.00 0.17 H new ATOM 0 HA2 GLY A 25 0.533 -9.939 -3.962 1.00 0.13 H new ATOM 0 HA3 GLY A 25 -0.335 -10.813 -5.209 1.00 0.13 H new ATOM 373 N THR A 26 -2.386 -9.376 -3.176 1.00 0.12 N ATOM 374 CA THR A 26 -3.495 -8.372 -3.077 1.00 0.10 C ATOM 375 C THR A 26 -3.531 -7.837 -1.643 1.00 0.09 C ATOM 376 O THR A 26 -3.594 -8.602 -0.704 1.00 0.09 O ATOM 377 CB THR A 26 -4.823 -9.074 -3.375 1.00 0.13 C ATOM 378 OG1 THR A 26 -4.881 -10.298 -2.656 1.00 0.16 O ATOM 379 CG2 THR A 26 -4.931 -9.355 -4.875 1.00 0.13 C ATOM 0 H THR A 26 -2.361 -10.060 -2.420 1.00 0.12 H new ATOM 0 HA THR A 26 -3.337 -7.558 -3.784 1.00 0.10 H new ATOM 0 HB THR A 26 -5.649 -8.432 -3.069 1.00 0.13 H new ATOM 0 HG1 THR A 26 -5.731 -10.748 -2.844 1.00 0.16 H new ATOM 0 HG21 THR A 26 -5.877 -9.855 -5.084 1.00 0.13 H new ATOM 0 HG22 THR A 26 -4.887 -8.415 -5.425 1.00 0.13 H new ATOM 0 HG23 THR A 26 -4.106 -9.996 -5.185 1.00 0.13 H new ATOM 387 N ILE A 27 -3.483 -6.544 -1.453 1.00 0.08 N ATOM 388 CA ILE A 27 -3.502 -5.981 -0.065 1.00 0.06 C ATOM 389 C ILE A 27 -4.904 -5.465 0.270 1.00 0.08 C ATOM 390 O ILE A 27 -5.467 -4.654 -0.444 1.00 0.11 O ATOM 391 CB ILE A 27 -2.501 -4.827 0.010 1.00 0.06 C ATOM 392 CG1 ILE A 27 -1.081 -5.386 -0.108 1.00 0.06 C ATOM 393 CG2 ILE A 27 -2.656 -4.089 1.343 1.00 0.07 C ATOM 394 CD1 ILE A 27 -0.088 -4.234 -0.270 1.00 0.07 C ATOM 0 H ILE A 27 -3.431 -5.850 -2.199 1.00 0.08 H new ATOM 0 HA ILE A 27 -3.232 -6.758 0.650 1.00 0.06 H new ATOM 0 HB ILE A 27 -2.689 -4.128 -0.805 1.00 0.06 H new ATOM 0 HG12 ILE A 27 -0.834 -5.970 0.779 1.00 0.06 H new ATOM 0 HG13 ILE A 27 -1.014 -6.060 -0.962 1.00 0.06 H new ATOM 0 HG21 ILE A 27 -1.940 -3.268 1.390 1.00 0.07 H new ATOM 0 HG22 ILE A 27 -3.668 -3.693 1.424 1.00 0.07 H new ATOM 0 HG23 ILE A 27 -2.470 -4.780 2.165 1.00 0.07 H new ATOM 0 HD11 ILE A 27 0.923 -4.634 -0.354 1.00 0.07 H new ATOM 0 HD12 ILE A 27 -0.330 -3.669 -1.170 1.00 0.07 H new ATOM 0 HD13 ILE A 27 -0.148 -3.578 0.598 1.00 0.07 H new ATOM 406 N THR A 28 -5.462 -5.919 1.364 1.00 0.08 N ATOM 407 CA THR A 28 -6.823 -5.462 1.782 1.00 0.09 C ATOM 408 C THR A 28 -6.682 -4.445 2.920 1.00 0.06 C ATOM 409 O THR A 28 -5.590 -4.100 3.326 1.00 0.02 O ATOM 410 CB THR A 28 -7.629 -6.667 2.274 1.00 0.11 C ATOM 411 OG1 THR A 28 -6.817 -7.460 3.128 1.00 0.09 O ATOM 412 CG2 THR A 28 -8.082 -7.505 1.077 1.00 0.12 C ATOM 0 H THR A 28 -5.027 -6.595 1.993 1.00 0.08 H new ATOM 0 HA THR A 28 -7.335 -5.000 0.938 1.00 0.09 H new ATOM 0 HB THR A 28 -8.504 -6.319 2.822 1.00 0.11 H new ATOM 0 HG1 THR A 28 -6.601 -8.305 2.682 1.00 0.09 H new ATOM 0 HG21 THR A 28 -8.656 -8.362 1.429 1.00 0.12 H new ATOM 0 HG22 THR A 28 -8.705 -6.896 0.422 1.00 0.12 H new ATOM 0 HG23 THR A 28 -7.209 -7.854 0.526 1.00 0.12 H new ATOM 420 N THR A 29 -7.780 -3.969 3.444 1.00 0.08 N ATOM 421 CA THR A 29 -7.719 -2.981 4.561 1.00 0.06 C ATOM 422 C THR A 29 -7.243 -3.675 5.840 1.00 0.07 C ATOM 423 O THR A 29 -6.455 -3.133 6.590 1.00 0.06 O ATOM 424 CB THR A 29 -9.122 -2.401 4.801 1.00 0.07 C ATOM 425 OG1 THR A 29 -9.813 -3.214 5.739 1.00 0.08 O ATOM 426 CG2 THR A 29 -9.907 -2.367 3.485 1.00 0.07 C ATOM 0 H THR A 29 -8.721 -4.223 3.145 1.00 0.08 H new ATOM 0 HA THR A 29 -7.024 -2.183 4.298 1.00 0.06 H new ATOM 0 HB THR A 29 -9.028 -1.387 5.189 1.00 0.07 H new ATOM 0 HG1 THR A 29 -10.707 -2.845 5.895 1.00 0.08 H new ATOM 0 HG21 THR A 29 -10.900 -1.955 3.664 1.00 0.07 H new ATOM 0 HG22 THR A 29 -9.380 -1.743 2.763 1.00 0.07 H new ATOM 0 HG23 THR A 29 -10.000 -3.379 3.091 1.00 0.07 H new ATOM 434 N LYS A 30 -7.724 -4.856 6.113 1.00 0.10 N ATOM 435 CA LYS A 30 -7.305 -5.553 7.363 1.00 0.13 C ATOM 436 C LYS A 30 -5.780 -5.695 7.404 1.00 0.11 C ATOM 437 O LYS A 30 -5.162 -5.535 8.440 1.00 0.14 O ATOM 438 CB LYS A 30 -7.956 -6.938 7.426 1.00 0.17 C ATOM 439 CG LYS A 30 -7.397 -7.823 6.312 1.00 0.26 C ATOM 440 CD LYS A 30 -8.218 -9.110 6.220 1.00 0.39 C ATOM 441 CE LYS A 30 -7.483 -10.122 5.339 1.00 1.87 C ATOM 442 NZ LYS A 30 -8.403 -11.242 4.995 1.00 3.55 N ATOM 0 H LYS A 30 -8.386 -5.367 5.529 1.00 0.10 H new ATOM 0 HA LYS A 30 -7.627 -4.963 8.221 1.00 0.13 H new ATOM 0 HB2 LYS A 30 -7.766 -7.396 8.397 1.00 0.17 H new ATOM 0 HB3 LYS A 30 -9.037 -6.847 7.323 1.00 0.17 H new ATOM 0 HG2 LYS A 30 -7.428 -7.291 5.361 1.00 0.26 H new ATOM 0 HG3 LYS A 30 -6.352 -8.060 6.511 1.00 0.26 H new ATOM 0 HD2 LYS A 30 -8.376 -9.525 7.215 1.00 0.39 H new ATOM 0 HD3 LYS A 30 -9.203 -8.897 5.804 1.00 0.39 H new ATOM 0 HE2 LYS A 30 -7.127 -9.638 4.430 1.00 1.87 H new ATOM 0 HE3 LYS A 30 -6.606 -10.505 5.861 1.00 1.87 H new ATOM 0 HZ1 LYS A 30 -7.904 -11.930 4.396 1.00 3.55 H new ATOM 0 HZ2 LYS A 30 -8.722 -11.710 5.867 1.00 3.55 H new ATOM 0 HZ3 LYS A 30 -9.227 -10.869 4.481 1.00 3.55 H new ATOM 456 N GLU A 31 -5.163 -5.992 6.292 1.00 0.07 N ATOM 457 CA GLU A 31 -3.681 -6.142 6.293 1.00 0.08 C ATOM 458 C GLU A 31 -3.032 -4.769 6.467 1.00 0.08 C ATOM 459 O GLU A 31 -2.025 -4.625 7.137 1.00 0.17 O ATOM 460 CB GLU A 31 -3.218 -6.772 4.977 1.00 0.07 C ATOM 461 CG GLU A 31 -3.550 -8.265 4.979 1.00 0.10 C ATOM 462 CD GLU A 31 -2.995 -8.916 3.711 1.00 0.08 C ATOM 463 OE1 GLU A 31 -2.780 -8.201 2.746 1.00 0.22 O ATOM 464 OE2 GLU A 31 -2.796 -10.120 3.725 1.00 0.25 O ATOM 0 H GLU A 31 -5.617 -6.136 5.390 1.00 0.07 H new ATOM 0 HA GLU A 31 -3.385 -6.791 7.118 1.00 0.08 H new ATOM 0 HB2 GLU A 31 -3.707 -6.281 4.135 1.00 0.07 H new ATOM 0 HB3 GLU A 31 -2.145 -6.628 4.851 1.00 0.07 H new ATOM 0 HG2 GLU A 31 -3.123 -8.742 5.861 1.00 0.10 H new ATOM 0 HG3 GLU A 31 -4.629 -8.408 5.031 1.00 0.10 H new ATOM 471 N LEU A 32 -3.597 -3.756 5.866 1.00 0.08 N ATOM 472 CA LEU A 32 -3.006 -2.396 5.993 1.00 0.06 C ATOM 473 C LEU A 32 -3.070 -1.954 7.453 1.00 0.07 C ATOM 474 O LEU A 32 -2.173 -1.311 7.957 1.00 0.06 O ATOM 475 CB LEU A 32 -3.786 -1.405 5.117 1.00 0.05 C ATOM 476 CG LEU A 32 -3.398 -1.585 3.635 1.00 0.03 C ATOM 477 CD1 LEU A 32 -4.544 -1.106 2.735 1.00 0.03 C ATOM 478 CD2 LEU A 32 -2.140 -0.765 3.313 1.00 0.02 C ATOM 0 H LEU A 32 -4.440 -3.813 5.294 1.00 0.08 H new ATOM 0 HA LEU A 32 -1.967 -2.419 5.663 1.00 0.06 H new ATOM 0 HB2 LEU A 32 -4.857 -1.563 5.242 1.00 0.05 H new ATOM 0 HB3 LEU A 32 -3.575 -0.384 5.434 1.00 0.05 H new ATOM 0 HG LEU A 32 -3.201 -2.642 3.455 1.00 0.03 H new ATOM 0 HD11 LEU A 32 -4.264 -1.236 1.690 1.00 0.03 H new ATOM 0 HD12 LEU A 32 -5.440 -1.689 2.946 1.00 0.03 H new ATOM 0 HD13 LEU A 32 -4.743 -0.052 2.929 1.00 0.03 H new ATOM 0 HD21 LEU A 32 -1.876 -0.900 2.264 1.00 0.02 H new ATOM 0 HD22 LEU A 32 -2.334 0.290 3.505 1.00 0.02 H new ATOM 0 HD23 LEU A 32 -1.315 -1.102 3.941 1.00 0.02 H new ATOM 490 N GLY A 33 -4.115 -2.317 8.145 1.00 0.07 N ATOM 491 CA GLY A 33 -4.228 -1.940 9.579 1.00 0.08 C ATOM 492 C GLY A 33 -3.183 -2.721 10.375 1.00 0.07 C ATOM 493 O GLY A 33 -2.495 -2.179 11.211 1.00 0.08 O ATOM 0 H GLY A 33 -4.896 -2.860 7.777 1.00 0.07 H new ATOM 0 HA2 GLY A 33 -4.073 -0.868 9.701 1.00 0.08 H new ATOM 0 HA3 GLY A 33 -5.229 -2.161 9.950 1.00 0.08 H new ATOM 497 N THR A 34 -3.059 -3.994 10.118 1.00 0.07 N ATOM 498 CA THR A 34 -2.057 -4.810 10.861 1.00 0.07 C ATOM 499 C THR A 34 -0.673 -4.151 10.760 1.00 0.06 C ATOM 500 O THR A 34 -0.049 -3.828 11.754 1.00 0.06 O ATOM 501 CB THR A 34 -2.009 -6.220 10.252 1.00 0.09 C ATOM 502 OG1 THR A 34 -3.193 -6.919 10.612 1.00 0.14 O ATOM 503 CG2 THR A 34 -0.792 -6.985 10.781 1.00 0.07 C ATOM 0 H THR A 34 -3.608 -4.504 9.426 1.00 0.07 H new ATOM 0 HA THR A 34 -2.341 -4.874 11.911 1.00 0.07 H new ATOM 0 HB THR A 34 -1.933 -6.140 9.168 1.00 0.09 H new ATOM 0 HG1 THR A 34 -3.937 -6.612 10.053 1.00 0.14 H new ATOM 0 HG21 THR A 34 -0.770 -7.982 10.342 1.00 0.07 H new ATOM 0 HG22 THR A 34 0.119 -6.450 10.513 1.00 0.07 H new ATOM 0 HG23 THR A 34 -0.858 -7.068 11.866 1.00 0.07 H new ATOM 511 N VAL A 35 -0.195 -3.948 9.564 1.00 0.06 N ATOM 512 CA VAL A 35 1.141 -3.312 9.385 1.00 0.07 C ATOM 513 C VAL A 35 1.125 -1.885 9.938 1.00 0.05 C ATOM 514 O VAL A 35 1.895 -1.541 10.812 1.00 0.10 O ATOM 515 CB VAL A 35 1.473 -3.267 7.892 1.00 0.11 C ATOM 516 CG1 VAL A 35 2.766 -2.472 7.670 1.00 0.09 C ATOM 517 CG2 VAL A 35 1.656 -4.696 7.366 1.00 0.16 C ATOM 0 H VAL A 35 -0.674 -4.196 8.699 1.00 0.06 H new ATOM 0 HA VAL A 35 1.890 -3.893 9.922 1.00 0.07 H new ATOM 0 HB VAL A 35 0.656 -2.782 7.357 1.00 0.11 H new ATOM 0 HG11 VAL A 35 2.997 -2.443 6.605 1.00 0.09 H new ATOM 0 HG12 VAL A 35 2.636 -1.455 8.041 1.00 0.09 H new ATOM 0 HG13 VAL A 35 3.585 -2.952 8.206 1.00 0.09 H new ATOM 0 HG21 VAL A 35 1.893 -4.665 6.302 1.00 0.16 H new ATOM 0 HG22 VAL A 35 2.470 -5.181 7.905 1.00 0.16 H new ATOM 0 HG23 VAL A 35 0.735 -5.260 7.516 1.00 0.16 H new ATOM 527 N MET A 36 0.262 -1.048 9.429 1.00 0.09 N ATOM 528 CA MET A 36 0.214 0.357 9.922 1.00 0.06 C ATOM 529 C MET A 36 0.170 0.361 11.452 1.00 0.04 C ATOM 530 O MET A 36 0.798 1.173 12.100 1.00 0.08 O ATOM 531 CB MET A 36 -1.024 1.060 9.360 1.00 0.05 C ATOM 532 CG MET A 36 -0.823 1.326 7.865 1.00 0.14 C ATOM 533 SD MET A 36 -2.281 2.165 7.196 1.00 1.20 S ATOM 534 CE MET A 36 -1.775 3.857 7.593 1.00 0.40 C ATOM 0 H MET A 36 -0.409 -1.276 8.696 1.00 0.09 H new ATOM 0 HA MET A 36 1.105 0.889 9.589 1.00 0.06 H new ATOM 0 HB2 MET A 36 -1.908 0.442 9.515 1.00 0.05 H new ATOM 0 HB3 MET A 36 -1.194 1.998 9.888 1.00 0.05 H new ATOM 0 HG2 MET A 36 0.065 1.939 7.711 1.00 0.14 H new ATOM 0 HG3 MET A 36 -0.657 0.387 7.337 1.00 0.14 H new ATOM 0 HE1 MET A 36 -2.501 4.559 7.183 1.00 0.40 H new ATOM 0 HE2 MET A 36 -1.725 3.977 8.675 1.00 0.40 H new ATOM 0 HE3 MET A 36 -0.794 4.055 7.160 1.00 0.40 H new ATOM 544 N ARG A 37 -0.545 -0.562 12.034 1.00 0.09 N ATOM 545 CA ARG A 37 -0.598 -0.624 13.521 1.00 0.12 C ATOM 546 C ARG A 37 0.792 -0.996 14.037 1.00 0.08 C ATOM 547 O ARG A 37 1.224 -0.542 15.078 1.00 0.09 O ATOM 548 CB ARG A 37 -1.614 -1.687 13.962 1.00 0.23 C ATOM 549 CG ARG A 37 -3.038 -1.114 13.868 1.00 0.27 C ATOM 550 CD ARG A 37 -3.258 -0.018 14.935 1.00 0.86 C ATOM 551 NE ARG A 37 -4.613 -0.177 15.557 1.00 0.40 N ATOM 552 CZ ARG A 37 -5.680 -0.363 14.824 1.00 0.76 C ATOM 553 NH1 ARG A 37 -5.614 -0.286 13.524 1.00 0.69 N ATOM 554 NH2 ARG A 37 -6.830 -0.586 15.401 1.00 1.54 N ATOM 0 H ARG A 37 -1.092 -1.272 11.547 1.00 0.09 H new ATOM 0 HA ARG A 37 -0.904 0.341 13.924 1.00 0.12 H new ATOM 0 HB2 ARG A 37 -1.525 -2.572 13.332 1.00 0.23 H new ATOM 0 HB3 ARG A 37 -1.405 -2.002 14.984 1.00 0.23 H new ATOM 0 HG2 ARG A 37 -3.203 -0.699 12.874 1.00 0.27 H new ATOM 0 HG3 ARG A 37 -3.767 -1.913 14.005 1.00 0.27 H new ATOM 0 HD2 ARG A 37 -2.486 -0.084 15.702 1.00 0.86 H new ATOM 0 HD3 ARG A 37 -3.171 0.968 14.479 1.00 0.86 H new ATOM 0 HE ARG A 37 -4.704 -0.139 16.572 1.00 0.40 H new ATOM 0 HH11 ARG A 37 -4.724 -0.079 13.070 1.00 0.69 H new ATOM 0 HH12 ARG A 37 -6.452 -0.433 12.961 1.00 0.69 H new ATOM 0 HH21 ARG A 37 -6.893 -0.614 16.419 1.00 1.54 H new ATOM 0 HH22 ARG A 37 -7.665 -0.732 14.834 1.00 1.54 H new ATOM 568 N SER A 38 1.499 -1.816 13.306 1.00 0.08 N ATOM 569 CA SER A 38 2.865 -2.217 13.742 1.00 0.10 C ATOM 570 C SER A 38 3.801 -1.006 13.680 1.00 0.10 C ATOM 571 O SER A 38 4.697 -0.855 14.486 1.00 0.13 O ATOM 572 CB SER A 38 3.392 -3.315 12.819 1.00 0.16 C ATOM 573 OG SER A 38 4.621 -3.812 13.332 1.00 0.13 O ATOM 0 H SER A 38 1.188 -2.225 12.425 1.00 0.08 H new ATOM 0 HA SER A 38 2.823 -2.590 14.765 1.00 0.10 H new ATOM 0 HB2 SER A 38 2.664 -4.122 12.743 1.00 0.16 H new ATOM 0 HB3 SER A 38 3.538 -2.921 11.813 1.00 0.16 H new ATOM 0 HG SER A 38 4.960 -4.518 12.742 1.00 0.13 H new ATOM 579 N LEU A 39 3.606 -0.151 12.710 1.00 0.10 N ATOM 580 CA LEU A 39 4.487 1.045 12.567 1.00 0.16 C ATOM 581 C LEU A 39 4.139 2.099 13.621 1.00 0.14 C ATOM 582 O LEU A 39 4.778 3.128 13.709 1.00 0.18 O ATOM 583 CB LEU A 39 4.303 1.649 11.172 1.00 0.22 C ATOM 584 CG LEU A 39 4.477 0.564 10.105 1.00 0.26 C ATOM 585 CD1 LEU A 39 4.178 1.159 8.726 1.00 0.27 C ATOM 586 CD2 LEU A 39 5.917 0.029 10.132 1.00 0.25 C ATOM 0 H LEU A 39 2.871 -0.231 12.008 1.00 0.10 H new ATOM 0 HA LEU A 39 5.522 0.734 12.707 1.00 0.16 H new ATOM 0 HB2 LEU A 39 3.313 2.098 11.088 1.00 0.22 H new ATOM 0 HB3 LEU A 39 5.029 2.447 11.013 1.00 0.22 H new ATOM 0 HG LEU A 39 3.789 -0.256 10.309 1.00 0.26 H new ATOM 0 HD11 LEU A 39 4.301 0.390 7.963 1.00 0.27 H new ATOM 0 HD12 LEU A 39 3.154 1.531 8.705 1.00 0.27 H new ATOM 0 HD13 LEU A 39 4.867 1.980 8.527 1.00 0.27 H new ATOM 0 HD21 LEU A 39 6.033 -0.742 9.370 1.00 0.25 H new ATOM 0 HD22 LEU A 39 6.612 0.844 9.931 1.00 0.25 H new ATOM 0 HD23 LEU A 39 6.129 -0.395 11.113 1.00 0.25 H new ATOM 598 N GLY A 40 3.140 1.856 14.429 1.00 0.09 N ATOM 599 CA GLY A 40 2.769 2.852 15.482 1.00 0.12 C ATOM 600 C GLY A 40 1.668 3.782 14.964 1.00 0.20 C ATOM 601 O GLY A 40 1.341 4.774 15.584 1.00 0.23 O ATOM 0 H GLY A 40 2.565 1.014 14.407 1.00 0.09 H new ATOM 0 HA2 GLY A 40 2.427 2.335 16.378 1.00 0.12 H new ATOM 0 HA3 GLY A 40 3.645 3.436 15.766 1.00 0.12 H new ATOM 605 N GLN A 41 1.091 3.473 13.832 1.00 0.21 N ATOM 606 CA GLN A 41 0.010 4.345 13.278 1.00 0.28 C ATOM 607 C GLN A 41 -1.349 3.841 13.768 1.00 0.28 C ATOM 608 O GLN A 41 -1.493 2.698 14.155 1.00 0.24 O ATOM 609 CB GLN A 41 0.051 4.301 11.750 1.00 0.29 C ATOM 610 CG GLN A 41 1.347 4.942 11.253 1.00 0.36 C ATOM 611 CD GLN A 41 1.423 4.825 9.729 1.00 0.90 C ATOM 612 OE1 GLN A 41 0.699 4.055 9.130 1.00 1.65 O ATOM 613 NE2 GLN A 41 2.277 5.561 9.072 1.00 1.77 N ATOM 0 H GLN A 41 1.321 2.656 13.267 1.00 0.21 H new ATOM 0 HA GLN A 41 0.161 5.371 13.614 1.00 0.28 H new ATOM 0 HB2 GLN A 41 -0.012 3.269 11.404 1.00 0.29 H new ATOM 0 HB3 GLN A 41 -0.809 4.829 11.338 1.00 0.29 H new ATOM 0 HG2 GLN A 41 1.384 5.990 11.550 1.00 0.36 H new ATOM 0 HG3 GLN A 41 2.206 4.451 11.709 1.00 0.36 H new ATOM 0 HE21 GLN A 41 2.885 6.208 9.574 1.00 1.77 H new ATOM 0 HE22 GLN A 41 2.336 5.490 8.056 1.00 1.77 H new ATOM 622 N ASN A 42 -2.347 4.691 13.762 1.00 0.33 N ATOM 623 CA ASN A 42 -3.707 4.276 14.233 1.00 0.33 C ATOM 624 C ASN A 42 -4.772 4.798 13.265 1.00 0.35 C ATOM 625 O ASN A 42 -5.550 5.668 13.602 1.00 0.40 O ATOM 626 CB ASN A 42 -3.957 4.865 15.623 1.00 0.39 C ATOM 627 CG ASN A 42 -2.768 4.548 16.532 1.00 0.41 C ATOM 628 OD1 ASN A 42 -2.164 3.397 16.417 1.00 1.24 O flip ATOM 629 ND2 ASN A 42 -2.386 5.355 17.355 1.00 1.44 N flip ATOM 0 H ASN A 42 -2.278 5.660 13.450 1.00 0.33 H new ATOM 0 HA ASN A 42 -3.760 3.188 14.275 1.00 0.33 H new ATOM 0 HB2 ASN A 42 -4.098 5.944 15.553 1.00 0.39 H new ATOM 0 HB3 ASN A 42 -4.872 4.451 16.046 1.00 0.39 H new ATOM 0 HD21 ASN A 42 -2.858 6.255 17.445 1.00 1.44 H new ATOM 0 HD22 ASN A 42 -1.593 5.133 17.957 1.00 1.44 H new ATOM 636 N PRO A 43 -4.809 4.269 12.070 1.00 0.32 N ATOM 637 CA PRO A 43 -5.799 4.687 11.037 1.00 0.34 C ATOM 638 C PRO A 43 -7.176 4.051 11.270 1.00 0.33 C ATOM 639 O PRO A 43 -7.285 2.904 11.654 1.00 0.34 O ATOM 640 CB PRO A 43 -5.173 4.185 9.732 1.00 0.33 C ATOM 641 CG PRO A 43 -4.395 2.968 10.129 1.00 0.28 C ATOM 642 CD PRO A 43 -3.909 3.214 11.567 1.00 0.27 C ATOM 0 HA PRO A 43 -5.983 5.761 11.044 1.00 0.34 H new ATOM 0 HB2 PRO A 43 -5.937 3.943 8.993 1.00 0.33 H new ATOM 0 HB3 PRO A 43 -4.526 4.941 9.286 1.00 0.33 H new ATOM 0 HG2 PRO A 43 -5.018 2.075 10.077 1.00 0.28 H new ATOM 0 HG3 PRO A 43 -3.552 2.809 9.456 1.00 0.28 H new ATOM 0 HD2 PRO A 43 -3.976 2.310 12.172 1.00 0.27 H new ATOM 0 HD3 PRO A 43 -2.867 3.534 11.587 1.00 0.27 H new ATOM 650 N THR A 44 -8.227 4.790 11.032 1.00 0.33 N ATOM 651 CA THR A 44 -9.598 4.235 11.228 1.00 0.32 C ATOM 652 C THR A 44 -10.028 3.495 9.960 1.00 0.32 C ATOM 653 O THR A 44 -9.416 3.618 8.918 1.00 0.33 O ATOM 654 CB THR A 44 -10.575 5.382 11.499 1.00 0.31 C ATOM 655 OG1 THR A 44 -10.882 6.038 10.277 1.00 0.31 O ATOM 656 CG2 THR A 44 -9.939 6.379 12.469 1.00 0.38 C ATOM 0 H THR A 44 -8.195 5.757 10.709 1.00 0.33 H new ATOM 0 HA THR A 44 -9.598 3.547 12.073 1.00 0.32 H new ATOM 0 HB THR A 44 -11.490 4.984 11.939 1.00 0.31 H new ATOM 0 HG1 THR A 44 -11.509 6.772 10.448 1.00 0.31 H new ATOM 0 HG21 THR A 44 -10.636 7.195 12.661 1.00 0.38 H new ATOM 0 HG22 THR A 44 -9.703 5.875 13.406 1.00 0.38 H new ATOM 0 HG23 THR A 44 -9.024 6.779 12.032 1.00 0.38 H new ATOM 664 N GLU A 45 -11.082 2.729 10.042 1.00 0.32 N ATOM 665 CA GLU A 45 -11.548 1.987 8.836 1.00 0.32 C ATOM 666 C GLU A 45 -11.860 2.988 7.718 1.00 0.25 C ATOM 667 O GLU A 45 -11.518 2.779 6.571 1.00 0.23 O ATOM 668 CB GLU A 45 -12.812 1.170 9.178 1.00 0.35 C ATOM 669 CG GLU A 45 -12.421 -0.228 9.675 1.00 0.51 C ATOM 670 CD GLU A 45 -11.855 -1.046 8.511 1.00 0.44 C ATOM 671 OE1 GLU A 45 -12.060 -0.646 7.377 1.00 1.56 O ATOM 672 OE2 GLU A 45 -11.226 -2.057 8.775 1.00 1.20 O ATOM 0 H GLU A 45 -11.637 2.585 10.886 1.00 0.32 H new ATOM 0 HA GLU A 45 -10.767 1.303 8.505 1.00 0.32 H new ATOM 0 HB2 GLU A 45 -13.392 1.687 9.943 1.00 0.35 H new ATOM 0 HB3 GLU A 45 -13.449 1.086 8.297 1.00 0.35 H new ATOM 0 HG2 GLU A 45 -11.681 -0.148 10.471 1.00 0.51 H new ATOM 0 HG3 GLU A 45 -13.291 -0.731 10.098 1.00 0.51 H new ATOM 679 N ALA A 46 -12.514 4.068 8.046 1.00 0.22 N ATOM 680 CA ALA A 46 -12.857 5.075 7.005 1.00 0.16 C ATOM 681 C ALA A 46 -11.572 5.643 6.400 1.00 0.18 C ATOM 682 O ALA A 46 -11.490 5.898 5.214 1.00 0.17 O ATOM 683 CB ALA A 46 -13.668 6.208 7.638 1.00 0.12 C ATOM 0 H ALA A 46 -12.825 4.296 8.990 1.00 0.22 H new ATOM 0 HA ALA A 46 -13.447 4.600 6.221 1.00 0.16 H new ATOM 0 HB1 ALA A 46 -13.919 6.946 6.876 1.00 0.12 H new ATOM 0 HB2 ALA A 46 -14.584 5.803 8.068 1.00 0.12 H new ATOM 0 HB3 ALA A 46 -13.079 6.683 8.422 1.00 0.12 H new ATOM 689 N GLU A 47 -10.567 5.844 7.208 1.00 0.22 N ATOM 690 CA GLU A 47 -9.290 6.396 6.680 1.00 0.27 C ATOM 691 C GLU A 47 -8.605 5.354 5.798 1.00 0.29 C ATOM 692 O GLU A 47 -8.067 5.676 4.759 1.00 0.32 O ATOM 693 CB GLU A 47 -8.367 6.775 7.840 1.00 0.32 C ATOM 694 CG GLU A 47 -8.931 7.999 8.564 1.00 0.32 C ATOM 695 CD GLU A 47 -7.963 8.428 9.668 1.00 0.59 C ATOM 696 OE1 GLU A 47 -7.032 7.685 9.934 1.00 0.97 O ATOM 697 OE2 GLU A 47 -8.169 9.491 10.230 1.00 0.46 O ATOM 0 H GLU A 47 -10.576 5.650 8.209 1.00 0.22 H new ATOM 0 HA GLU A 47 -9.504 7.286 6.088 1.00 0.27 H new ATOM 0 HB2 GLU A 47 -8.276 5.939 8.534 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -7.366 6.990 7.466 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -9.080 8.816 7.858 1.00 0.32 H new ATOM 0 HG3 GLU A 47 -9.906 7.765 8.991 1.00 0.32 H new ATOM 704 N LEU A 48 -8.625 4.106 6.180 1.00 0.30 N ATOM 705 CA LEU A 48 -7.978 3.068 5.332 1.00 0.33 C ATOM 706 C LEU A 48 -8.711 3.001 3.993 1.00 0.29 C ATOM 707 O LEU A 48 -8.107 2.902 2.943 1.00 0.31 O ATOM 708 CB LEU A 48 -8.064 1.704 6.025 1.00 0.36 C ATOM 709 CG LEU A 48 -7.255 1.721 7.330 1.00 0.35 C ATOM 710 CD1 LEU A 48 -7.537 0.433 8.109 1.00 0.49 C ATOM 711 CD2 LEU A 48 -5.747 1.823 7.027 1.00 0.65 C ATOM 0 H LEU A 48 -9.059 3.763 7.037 1.00 0.30 H new ATOM 0 HA LEU A 48 -6.930 3.323 5.175 1.00 0.33 H new ATOM 0 HB2 LEU A 48 -9.105 1.461 6.237 1.00 0.36 H new ATOM 0 HB3 LEU A 48 -7.683 0.927 5.363 1.00 0.36 H new ATOM 0 HG LEU A 48 -7.550 2.587 7.923 1.00 0.35 H new ATOM 0 HD11 LEU A 48 -6.966 0.437 9.038 1.00 0.49 H new ATOM 0 HD12 LEU A 48 -8.601 0.372 8.337 1.00 0.49 H new ATOM 0 HD13 LEU A 48 -7.245 -0.428 7.507 1.00 0.49 H new ATOM 0 HD21 LEU A 48 -5.188 1.834 7.963 1.00 0.65 H new ATOM 0 HD22 LEU A 48 -5.437 0.966 6.429 1.00 0.65 H new ATOM 0 HD23 LEU A 48 -5.548 2.741 6.475 1.00 0.65 H new ATOM 723 N GLN A 49 -10.015 3.054 4.027 1.00 0.24 N ATOM 724 CA GLN A 49 -10.794 2.993 2.760 1.00 0.18 C ATOM 725 C GLN A 49 -10.405 4.178 1.870 1.00 0.18 C ATOM 726 O GLN A 49 -10.167 4.028 0.688 1.00 0.16 O ATOM 727 CB GLN A 49 -12.292 3.046 3.081 1.00 0.15 C ATOM 728 CG GLN A 49 -13.110 2.881 1.795 1.00 0.17 C ATOM 729 CD GLN A 49 -12.880 1.483 1.218 1.00 1.05 C ATOM 730 OE1 GLN A 49 -12.828 0.513 1.947 1.00 1.40 O ATOM 731 NE2 GLN A 49 -12.740 1.338 -0.071 1.00 2.25 N ATOM 0 H GLN A 49 -10.573 3.137 4.877 1.00 0.24 H new ATOM 0 HA GLN A 49 -10.575 2.063 2.235 1.00 0.18 H new ATOM 0 HB2 GLN A 49 -12.549 2.258 3.789 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -12.537 3.995 3.558 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -14.169 3.030 2.004 1.00 0.17 H new ATOM 0 HG3 GLN A 49 -12.819 3.638 1.067 1.00 0.17 H new ATOM 0 HE21 GLN A 49 -12.784 2.152 -0.684 1.00 2.25 H new ATOM 0 HE22 GLN A 49 -12.587 0.410 -0.466 1.00 2.25 H new ATOM 740 N ASP A 50 -10.330 5.354 2.435 1.00 0.21 N ATOM 741 CA ASP A 50 -9.947 6.545 1.626 1.00 0.23 C ATOM 742 C ASP A 50 -8.529 6.343 1.089 1.00 0.26 C ATOM 743 O ASP A 50 -8.249 6.614 -0.062 1.00 0.27 O ATOM 744 CB ASP A 50 -9.987 7.796 2.505 1.00 0.25 C ATOM 745 CG ASP A 50 -9.693 9.030 1.650 1.00 0.95 C ATOM 746 OD1 ASP A 50 -9.622 8.884 0.440 1.00 1.54 O ATOM 747 OD2 ASP A 50 -9.544 10.098 2.218 1.00 1.73 O ATOM 0 H ASP A 50 -10.517 5.540 3.420 1.00 0.21 H new ATOM 0 HA ASP A 50 -10.643 6.668 0.797 1.00 0.23 H new ATOM 0 HB2 ASP A 50 -10.965 7.891 2.976 1.00 0.25 H new ATOM 0 HB3 ASP A 50 -9.254 7.713 3.307 1.00 0.25 H new ATOM 752 N MET A 51 -7.632 5.865 1.906 1.00 0.31 N ATOM 753 CA MET A 51 -6.240 5.647 1.423 1.00 0.34 C ATOM 754 C MET A 51 -6.274 4.699 0.224 1.00 0.30 C ATOM 755 O MET A 51 -5.593 4.907 -0.760 1.00 0.33 O ATOM 756 CB MET A 51 -5.402 5.024 2.544 1.00 0.40 C ATOM 757 CG MET A 51 -5.209 6.037 3.678 1.00 0.42 C ATOM 758 SD MET A 51 -3.885 7.190 3.238 1.00 0.53 S ATOM 759 CE MET A 51 -2.500 6.188 3.833 1.00 0.48 C ATOM 0 H MET A 51 -7.801 5.617 2.881 1.00 0.31 H new ATOM 0 HA MET A 51 -5.797 6.599 1.129 1.00 0.34 H new ATOM 0 HB2 MET A 51 -5.895 4.130 2.924 1.00 0.40 H new ATOM 0 HB3 MET A 51 -4.433 4.712 2.155 1.00 0.40 H new ATOM 0 HG2 MET A 51 -6.136 6.582 3.855 1.00 0.42 H new ATOM 0 HG3 MET A 51 -4.962 5.519 4.605 1.00 0.42 H new ATOM 0 HE1 MET A 51 -1.605 6.426 3.258 1.00 0.48 H new ATOM 0 HE2 MET A 51 -2.322 6.402 4.887 1.00 0.48 H new ATOM 0 HE3 MET A 51 -2.738 5.131 3.713 1.00 0.48 H new ATOM 769 N ILE A 52 -7.066 3.663 0.292 1.00 0.24 N ATOM 770 CA ILE A 52 -7.142 2.713 -0.852 1.00 0.20 C ATOM 771 C ILE A 52 -7.886 3.372 -2.018 1.00 0.14 C ATOM 772 O ILE A 52 -7.474 3.291 -3.158 1.00 0.14 O ATOM 773 CB ILE A 52 -7.881 1.441 -0.422 1.00 0.20 C ATOM 774 CG1 ILE A 52 -7.021 0.684 0.598 1.00 0.28 C ATOM 775 CG2 ILE A 52 -8.124 0.552 -1.649 1.00 0.19 C ATOM 776 CD1 ILE A 52 -7.808 -0.499 1.170 1.00 0.34 C ATOM 0 H ILE A 52 -7.661 3.435 1.088 1.00 0.24 H new ATOM 0 HA ILE A 52 -6.133 2.451 -1.169 1.00 0.20 H new ATOM 0 HB ILE A 52 -8.839 1.704 0.028 1.00 0.20 H new ATOM 0 HG12 ILE A 52 -6.107 0.328 0.123 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -6.721 1.355 1.403 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -8.650 -0.353 -1.344 1.00 0.19 H new ATOM 0 HG22 ILE A 52 -8.727 1.094 -2.377 1.00 0.19 H new ATOM 0 HG23 ILE A 52 -7.168 0.283 -2.098 1.00 0.19 H new ATOM 0 HD11 ILE A 52 -7.190 -1.031 1.893 1.00 0.34 H new ATOM 0 HD12 ILE A 52 -8.709 -0.133 1.662 1.00 0.34 H new ATOM 0 HD13 ILE A 52 -8.086 -1.176 0.362 1.00 0.34 H new ATOM 788 N ASN A 53 -8.992 4.006 -1.737 1.00 0.12 N ATOM 789 CA ASN A 53 -9.786 4.652 -2.819 1.00 0.18 C ATOM 790 C ASN A 53 -8.941 5.690 -3.560 1.00 0.24 C ATOM 791 O ASN A 53 -9.043 5.855 -4.759 1.00 0.28 O ATOM 792 CB ASN A 53 -11.011 5.340 -2.214 1.00 0.27 C ATOM 793 CG ASN A 53 -11.946 4.287 -1.617 1.00 0.69 C ATOM 794 OD1 ASN A 53 -11.649 3.109 -1.643 1.00 1.12 O ATOM 795 ND2 ASN A 53 -13.073 4.664 -1.079 1.00 1.92 N ATOM 0 H ASN A 53 -9.381 4.104 -0.799 1.00 0.12 H new ATOM 0 HA ASN A 53 -10.101 3.883 -3.525 1.00 0.18 H new ATOM 0 HB2 ASN A 53 -10.701 6.045 -1.443 1.00 0.27 H new ATOM 0 HB3 ASN A 53 -11.534 5.914 -2.979 1.00 0.27 H new ATOM 0 HD21 ASN A 53 -13.705 3.970 -0.680 1.00 1.92 H new ATOM 0 HD22 ASN A 53 -13.322 5.653 -1.057 1.00 1.92 H new ATOM 802 N GLU A 54 -8.123 6.407 -2.839 1.00 0.26 N ATOM 803 CA GLU A 54 -7.281 7.458 -3.473 1.00 0.34 C ATOM 804 C GLU A 54 -6.294 6.827 -4.456 1.00 0.36 C ATOM 805 O GLU A 54 -5.794 7.493 -5.342 1.00 0.37 O ATOM 806 CB GLU A 54 -6.506 8.201 -2.381 1.00 0.39 C ATOM 807 CG GLU A 54 -5.796 9.414 -2.985 1.00 0.62 C ATOM 808 CD GLU A 54 -5.012 10.142 -1.891 1.00 0.57 C ATOM 809 OE1 GLU A 54 -5.023 9.667 -0.767 1.00 0.90 O ATOM 810 OE2 GLU A 54 -4.416 11.161 -2.196 1.00 1.81 O ATOM 0 H GLU A 54 -8.002 6.308 -1.831 1.00 0.26 H new ATOM 0 HA GLU A 54 -7.922 8.152 -4.016 1.00 0.34 H new ATOM 0 HB2 GLU A 54 -7.187 8.522 -1.593 1.00 0.39 H new ATOM 0 HB3 GLU A 54 -5.778 7.533 -1.921 1.00 0.39 H new ATOM 0 HG2 GLU A 54 -5.122 9.096 -3.780 1.00 0.62 H new ATOM 0 HG3 GLU A 54 -6.524 10.088 -3.436 1.00 0.62 H new ATOM 817 N VAL A 55 -5.983 5.561 -4.300 1.00 0.37 N ATOM 818 CA VAL A 55 -4.995 4.895 -5.212 1.00 0.40 C ATOM 819 C VAL A 55 -5.639 3.712 -5.934 1.00 0.32 C ATOM 820 O VAL A 55 -5.041 3.126 -6.814 1.00 0.32 O ATOM 821 CB VAL A 55 -3.815 4.394 -4.378 1.00 0.40 C ATOM 822 CG1 VAL A 55 -3.162 5.577 -3.652 1.00 0.45 C ATOM 823 CG2 VAL A 55 -4.317 3.378 -3.349 1.00 0.54 C ATOM 0 H VAL A 55 -6.373 4.957 -3.577 1.00 0.37 H new ATOM 0 HA VAL A 55 -4.657 5.615 -5.957 1.00 0.40 H new ATOM 0 HB VAL A 55 -3.082 3.921 -5.031 1.00 0.40 H new ATOM 0 HG11 VAL A 55 -2.321 5.220 -3.058 1.00 0.45 H new ATOM 0 HG12 VAL A 55 -2.807 6.302 -4.384 1.00 0.45 H new ATOM 0 HG13 VAL A 55 -3.894 6.051 -2.998 1.00 0.45 H new ATOM 0 HG21 VAL A 55 -3.478 3.019 -2.753 1.00 0.54 H new ATOM 0 HG22 VAL A 55 -5.049 3.853 -2.696 1.00 0.54 H new ATOM 0 HG23 VAL A 55 -4.782 2.538 -3.864 1.00 0.54 H new ATOM 833 N ASP A 56 -6.844 3.342 -5.590 1.00 0.25 N ATOM 834 CA ASP A 56 -7.482 2.190 -6.290 1.00 0.22 C ATOM 835 C ASP A 56 -7.978 2.668 -7.652 1.00 0.36 C ATOM 836 O ASP A 56 -9.115 3.067 -7.811 1.00 0.45 O ATOM 837 CB ASP A 56 -8.655 1.669 -5.452 1.00 0.16 C ATOM 838 CG ASP A 56 -9.470 0.652 -6.255 1.00 0.25 C ATOM 839 OD1 ASP A 56 -9.066 0.332 -7.359 1.00 0.96 O ATOM 840 OD2 ASP A 56 -10.491 0.214 -5.752 1.00 0.95 O ATOM 0 H ASP A 56 -7.408 3.782 -4.863 1.00 0.25 H new ATOM 0 HA ASP A 56 -6.764 1.381 -6.424 1.00 0.22 H new ATOM 0 HB2 ASP A 56 -8.281 1.206 -4.539 1.00 0.16 H new ATOM 0 HB3 ASP A 56 -9.293 2.500 -5.150 1.00 0.16 H new ATOM 845 N ALA A 57 -7.116 2.655 -8.630 1.00 0.43 N ATOM 846 CA ALA A 57 -7.504 3.133 -9.983 1.00 0.56 C ATOM 847 C ALA A 57 -8.281 2.059 -10.749 1.00 0.50 C ATOM 848 O ALA A 57 -8.972 2.364 -11.700 1.00 0.63 O ATOM 849 CB ALA A 57 -6.243 3.497 -10.768 1.00 0.67 C ATOM 0 H ALA A 57 -6.152 2.331 -8.548 1.00 0.43 H new ATOM 0 HA ALA A 57 -8.147 4.006 -9.868 1.00 0.56 H new ATOM 0 HB1 ALA A 57 -6.522 3.848 -11.761 1.00 0.67 H new ATOM 0 HB2 ALA A 57 -5.702 4.284 -10.243 1.00 0.67 H new ATOM 0 HB3 ALA A 57 -5.605 2.618 -10.860 1.00 0.67 H new ATOM 855 N ASP A 58 -8.197 0.806 -10.366 1.00 0.31 N ATOM 856 CA ASP A 58 -8.961 -0.243 -11.112 1.00 0.25 C ATOM 857 C ASP A 58 -10.362 -0.367 -10.500 1.00 0.34 C ATOM 858 O ASP A 58 -11.253 -0.965 -11.069 1.00 0.43 O ATOM 859 CB ASP A 58 -8.228 -1.585 -11.010 1.00 0.13 C ATOM 860 CG ASP A 58 -8.029 -1.962 -9.541 1.00 0.28 C ATOM 861 OD1 ASP A 58 -8.846 -1.563 -8.731 1.00 1.04 O ATOM 862 OD2 ASP A 58 -7.059 -2.644 -9.252 1.00 1.11 O ATOM 0 H ASP A 58 -7.641 0.469 -9.581 1.00 0.31 H new ATOM 0 HA ASP A 58 -9.043 0.036 -12.163 1.00 0.25 H new ATOM 0 HB2 ASP A 58 -8.800 -2.361 -11.519 1.00 0.13 H new ATOM 0 HB3 ASP A 58 -7.262 -1.520 -11.511 1.00 0.13 H new ATOM 867 N GLY A 59 -10.556 0.206 -9.341 1.00 0.39 N ATOM 868 CA GLY A 59 -11.891 0.142 -8.676 1.00 0.59 C ATOM 869 C GLY A 59 -12.088 -1.226 -8.011 1.00 0.63 C ATOM 870 O GLY A 59 -13.197 -1.618 -7.706 1.00 0.80 O ATOM 0 H GLY A 59 -9.842 0.719 -8.823 1.00 0.39 H new ATOM 0 HA2 GLY A 59 -11.971 0.932 -7.929 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -12.679 0.315 -9.409 1.00 0.59 H new ATOM 874 N ASN A 60 -11.032 -1.959 -7.789 1.00 0.57 N ATOM 875 CA ASN A 60 -11.184 -3.301 -7.151 1.00 0.74 C ATOM 876 C ASN A 60 -11.454 -3.141 -5.652 1.00 0.74 C ATOM 877 O ASN A 60 -11.974 -4.035 -5.014 1.00 1.36 O ATOM 878 CB ASN A 60 -9.908 -4.121 -7.366 1.00 0.76 C ATOM 879 CG ASN A 60 -8.757 -3.513 -6.560 1.00 2.30 C ATOM 880 OD1 ASN A 60 -8.911 -2.476 -5.946 1.00 3.32 O ATOM 881 ND2 ASN A 60 -7.602 -4.119 -6.536 1.00 3.48 N ATOM 0 H ASN A 60 -10.075 -1.691 -8.019 1.00 0.57 H new ATOM 0 HA ASN A 60 -12.026 -3.820 -7.608 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -10.073 -5.154 -7.059 1.00 0.76 H new ATOM 0 HB3 ASN A 60 -9.652 -4.140 -8.425 1.00 0.76 H new ATOM 0 HD21 ASN A 60 -6.829 -3.722 -6.002 1.00 3.48 H new ATOM 0 HD22 ASN A 60 -7.472 -4.990 -7.051 1.00 3.48 H new ATOM 888 N GLY A 61 -11.111 -2.021 -5.076 1.00 0.12 N ATOM 889 CA GLY A 61 -11.355 -1.822 -3.616 1.00 0.13 C ATOM 890 C GLY A 61 -10.129 -2.281 -2.826 1.00 0.17 C ATOM 891 O GLY A 61 -10.138 -2.305 -1.611 1.00 0.28 O ATOM 0 H GLY A 61 -10.672 -1.233 -5.553 1.00 0.12 H new ATOM 0 HA2 GLY A 61 -11.560 -0.771 -3.411 1.00 0.13 H new ATOM 0 HA3 GLY A 61 -12.234 -2.386 -3.303 1.00 0.13 H new ATOM 895 N THR A 62 -9.073 -2.651 -3.502 1.00 0.13 N ATOM 896 CA THR A 62 -7.847 -3.114 -2.783 1.00 0.15 C ATOM 897 C THR A 62 -6.603 -2.676 -3.555 1.00 0.13 C ATOM 898 O THR A 62 -6.680 -2.220 -4.678 1.00 0.13 O ATOM 899 CB THR A 62 -7.865 -4.641 -2.672 1.00 0.21 C ATOM 900 OG1 THR A 62 -8.019 -5.204 -3.967 1.00 0.26 O ATOM 901 CG2 THR A 62 -9.030 -5.078 -1.782 1.00 0.42 C ATOM 0 H THR A 62 -9.005 -2.653 -4.520 1.00 0.13 H new ATOM 0 HA THR A 62 -7.827 -2.676 -1.785 1.00 0.15 H new ATOM 0 HB THR A 62 -6.929 -4.985 -2.233 1.00 0.21 H new ATOM 0 HG1 THR A 62 -8.029 -6.182 -3.900 1.00 0.26 H new ATOM 0 HG21 THR A 62 -9.041 -6.165 -1.705 1.00 0.42 H new ATOM 0 HG22 THR A 62 -8.912 -4.645 -0.789 1.00 0.42 H new ATOM 0 HG23 THR A 62 -9.969 -4.736 -2.218 1.00 0.42 H new ATOM 909 N ILE A 63 -5.455 -2.804 -2.943 1.00 0.11 N ATOM 910 CA ILE A 63 -4.179 -2.390 -3.603 1.00 0.10 C ATOM 911 C ILE A 63 -3.359 -3.629 -3.968 1.00 0.10 C ATOM 912 O ILE A 63 -3.462 -4.664 -3.342 1.00 0.10 O ATOM 913 CB ILE A 63 -3.384 -1.509 -2.632 1.00 0.10 C ATOM 914 CG1 ILE A 63 -4.259 -0.339 -2.177 1.00 0.10 C ATOM 915 CG2 ILE A 63 -2.133 -0.963 -3.323 1.00 0.11 C ATOM 916 CD1 ILE A 63 -3.522 0.461 -1.102 1.00 0.12 C ATOM 0 H ILE A 63 -5.345 -3.182 -2.002 1.00 0.11 H new ATOM 0 HA ILE A 63 -4.398 -1.832 -4.514 1.00 0.10 H new ATOM 0 HB ILE A 63 -3.086 -2.107 -1.771 1.00 0.10 H new ATOM 0 HG12 ILE A 63 -4.496 0.303 -3.025 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -5.206 -0.710 -1.784 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -1.575 -0.339 -2.625 1.00 0.11 H new ATOM 0 HG22 ILE A 63 -1.506 -1.793 -3.649 1.00 0.11 H new ATOM 0 HG23 ILE A 63 -2.426 -0.368 -4.188 1.00 0.11 H new ATOM 0 HD11 ILE A 63 -4.145 1.295 -0.778 1.00 0.12 H new ATOM 0 HD12 ILE A 63 -3.308 -0.185 -0.250 1.00 0.12 H new ATOM 0 HD13 ILE A 63 -2.587 0.844 -1.511 1.00 0.12 H new ATOM 928 N ASP A 64 -2.542 -3.513 -4.989 1.00 0.09 N ATOM 929 CA ASP A 64 -1.687 -4.662 -5.435 1.00 0.09 C ATOM 930 C ASP A 64 -0.224 -4.203 -5.495 1.00 0.09 C ATOM 931 O ASP A 64 0.191 -3.334 -4.754 1.00 0.11 O ATOM 932 CB ASP A 64 -2.156 -5.138 -6.813 1.00 0.11 C ATOM 933 CG ASP A 64 -2.168 -3.956 -7.782 1.00 0.16 C ATOM 934 OD1 ASP A 64 -1.196 -3.219 -7.795 1.00 0.11 O ATOM 935 OD2 ASP A 64 -3.148 -3.806 -8.492 1.00 0.37 O ATOM 0 H ASP A 64 -2.430 -2.661 -5.539 1.00 0.09 H new ATOM 0 HA ASP A 64 -1.772 -5.490 -4.731 1.00 0.09 H new ATOM 0 HB2 ASP A 64 -1.494 -5.920 -7.184 1.00 0.11 H new ATOM 0 HB3 ASP A 64 -3.153 -5.573 -6.740 1.00 0.11 H new ATOM 940 N PHE A 65 0.562 -4.781 -6.365 1.00 0.07 N ATOM 941 CA PHE A 65 1.995 -4.378 -6.462 1.00 0.07 C ATOM 942 C PHE A 65 2.115 -3.038 -7.223 1.00 0.10 C ATOM 943 O PHE A 65 2.570 -2.061 -6.662 1.00 0.12 O ATOM 944 CB PHE A 65 2.796 -5.509 -7.150 1.00 0.06 C ATOM 945 CG PHE A 65 4.034 -4.961 -7.832 1.00 0.05 C ATOM 946 CD1 PHE A 65 4.828 -4.010 -7.181 1.00 1.89 C ATOM 947 CD2 PHE A 65 4.384 -5.407 -9.112 1.00 1.80 C ATOM 948 CE1 PHE A 65 5.972 -3.504 -7.809 1.00 1.87 C ATOM 949 CE2 PHE A 65 5.528 -4.902 -9.741 1.00 1.81 C ATOM 950 CZ PHE A 65 6.322 -3.950 -9.089 1.00 0.04 C ATOM 0 H PHE A 65 0.273 -5.515 -7.012 1.00 0.07 H new ATOM 0 HA PHE A 65 2.412 -4.225 -5.467 1.00 0.07 H new ATOM 0 HB2 PHE A 65 3.084 -6.257 -6.411 1.00 0.06 H new ATOM 0 HB3 PHE A 65 2.165 -6.012 -7.883 1.00 0.06 H new ATOM 0 HD1 PHE A 65 4.558 -3.666 -6.193 1.00 1.89 H new ATOM 0 HD2 PHE A 65 3.771 -6.141 -9.614 1.00 1.80 H new ATOM 0 HE1 PHE A 65 6.584 -2.770 -7.306 1.00 1.87 H new ATOM 0 HE2 PHE A 65 5.798 -5.246 -10.728 1.00 1.81 H new ATOM 0 HZ PHE A 65 7.205 -3.560 -9.574 1.00 0.04 H new ATOM 960 N PRO A 66 1.722 -2.971 -8.479 1.00 0.13 N ATOM 961 CA PRO A 66 1.815 -1.702 -9.266 1.00 0.16 C ATOM 962 C PRO A 66 1.064 -0.555 -8.577 1.00 0.17 C ATOM 963 O PRO A 66 1.508 0.578 -8.565 1.00 0.22 O ATOM 964 CB PRO A 66 1.185 -2.052 -10.631 1.00 0.18 C ATOM 965 CG PRO A 66 0.409 -3.311 -10.393 1.00 0.16 C ATOM 966 CD PRO A 66 1.153 -4.059 -9.291 1.00 0.14 C ATOM 0 HA PRO A 66 2.843 -1.351 -9.363 1.00 0.16 H new ATOM 0 HB2 PRO A 66 0.536 -1.250 -10.983 1.00 0.18 H new ATOM 0 HB3 PRO A 66 1.951 -2.199 -11.392 1.00 0.18 H new ATOM 0 HG2 PRO A 66 -0.614 -3.088 -10.091 1.00 0.16 H new ATOM 0 HG3 PRO A 66 0.350 -3.911 -11.301 1.00 0.16 H new ATOM 0 HD2 PRO A 66 0.482 -4.690 -8.708 1.00 0.14 H new ATOM 0 HD3 PRO A 66 1.929 -4.708 -9.697 1.00 0.14 H new ATOM 974 N GLU A 67 -0.064 -0.848 -7.993 1.00 0.15 N ATOM 975 CA GLU A 67 -0.840 0.211 -7.296 1.00 0.16 C ATOM 976 C GLU A 67 -0.084 0.619 -6.030 1.00 0.15 C ATOM 977 O GLU A 67 0.067 1.785 -5.723 1.00 0.17 O ATOM 978 CB GLU A 67 -2.226 -0.329 -6.953 1.00 0.18 C ATOM 979 CG GLU A 67 -2.935 -0.713 -8.255 1.00 0.26 C ATOM 980 CD GLU A 67 -4.298 -1.329 -7.946 1.00 0.34 C ATOM 981 OE1 GLU A 67 -4.475 -1.805 -6.839 1.00 0.17 O ATOM 982 OE2 GLU A 67 -5.146 -1.312 -8.823 1.00 0.60 O ATOM 0 H GLU A 67 -0.482 -1.778 -7.969 1.00 0.15 H new ATOM 0 HA GLU A 67 -0.959 1.086 -7.935 1.00 0.16 H new ATOM 0 HB2 GLU A 67 -2.143 -1.196 -6.297 1.00 0.18 H new ATOM 0 HB3 GLU A 67 -2.803 0.423 -6.415 1.00 0.18 H new ATOM 0 HG2 GLU A 67 -3.059 0.168 -8.884 1.00 0.26 H new ATOM 0 HG3 GLU A 67 -2.325 -1.422 -8.815 1.00 0.26 H new ATOM 989 N PHE A 68 0.411 -0.352 -5.305 1.00 0.12 N ATOM 990 CA PHE A 68 1.182 -0.050 -4.068 1.00 0.13 C ATOM 991 C PHE A 68 2.436 0.719 -4.472 1.00 0.13 C ATOM 992 O PHE A 68 2.894 1.601 -3.774 1.00 0.16 O ATOM 993 CB PHE A 68 1.573 -1.361 -3.376 1.00 0.11 C ATOM 994 CG PHE A 68 2.529 -1.083 -2.241 1.00 0.10 C ATOM 995 CD1 PHE A 68 3.904 -1.006 -2.488 1.00 0.11 C ATOM 996 CD2 PHE A 68 2.040 -0.911 -0.940 1.00 0.09 C ATOM 997 CE1 PHE A 68 4.791 -0.756 -1.434 1.00 0.11 C ATOM 998 CE2 PHE A 68 2.927 -0.662 0.113 1.00 0.09 C ATOM 999 CZ PHE A 68 4.303 -0.584 -0.134 1.00 0.10 C ATOM 0 H PHE A 68 0.312 -1.344 -5.520 1.00 0.12 H new ATOM 0 HA PHE A 68 0.583 0.544 -3.377 1.00 0.13 H new ATOM 0 HB2 PHE A 68 0.682 -1.861 -2.997 1.00 0.11 H new ATOM 0 HB3 PHE A 68 2.036 -2.037 -4.095 1.00 0.11 H new ATOM 0 HD1 PHE A 68 4.281 -1.139 -3.491 1.00 0.11 H new ATOM 0 HD2 PHE A 68 0.979 -0.971 -0.750 1.00 0.09 H new ATOM 0 HE1 PHE A 68 5.852 -0.696 -1.624 1.00 0.11 H new ATOM 0 HE2 PHE A 68 2.550 -0.530 1.117 1.00 0.09 H new ATOM 0 HZ PHE A 68 4.988 -0.391 0.679 1.00 0.10 H new ATOM 1009 N LEU A 69 2.979 0.400 -5.612 1.00 0.11 N ATOM 1010 CA LEU A 69 4.189 1.111 -6.097 1.00 0.12 C ATOM 1011 C LEU A 69 3.850 2.598 -6.242 1.00 0.15 C ATOM 1012 O LEU A 69 4.534 3.463 -5.729 1.00 0.17 O ATOM 1013 CB LEU A 69 4.591 0.517 -7.461 1.00 0.07 C ATOM 1014 CG LEU A 69 6.102 0.643 -7.675 1.00 0.15 C ATOM 1015 CD1 LEU A 69 6.460 0.122 -9.069 1.00 0.17 C ATOM 1016 CD2 LEU A 69 6.519 2.109 -7.557 1.00 0.24 C ATOM 0 H LEU A 69 2.631 -0.330 -6.233 1.00 0.11 H new ATOM 0 HA LEU A 69 5.018 0.997 -5.399 1.00 0.12 H new ATOM 0 HB2 LEU A 69 4.297 -0.531 -7.509 1.00 0.07 H new ATOM 0 HB3 LEU A 69 4.060 1.034 -8.260 1.00 0.07 H new ATOM 0 HG LEU A 69 6.625 0.058 -6.919 1.00 0.15 H new ATOM 0 HD11 LEU A 69 7.535 0.210 -9.225 1.00 0.17 H new ATOM 0 HD12 LEU A 69 6.166 -0.924 -9.153 1.00 0.17 H new ATOM 0 HD13 LEU A 69 5.935 0.709 -9.823 1.00 0.17 H new ATOM 0 HD21 LEU A 69 7.595 2.195 -7.710 1.00 0.24 H new ATOM 0 HD22 LEU A 69 5.997 2.698 -8.312 1.00 0.24 H new ATOM 0 HD23 LEU A 69 6.263 2.481 -6.565 1.00 0.24 H new ATOM 1028 N THR A 70 2.793 2.891 -6.949 1.00 0.18 N ATOM 1029 CA THR A 70 2.390 4.310 -7.155 1.00 0.23 C ATOM 1030 C THR A 70 2.143 4.995 -5.806 1.00 0.26 C ATOM 1031 O THR A 70 2.616 6.084 -5.541 1.00 0.26 O ATOM 1032 CB THR A 70 1.095 4.341 -7.970 1.00 0.22 C ATOM 1033 OG1 THR A 70 1.283 3.620 -9.180 1.00 0.23 O ATOM 1034 CG2 THR A 70 0.724 5.789 -8.290 1.00 0.22 C ATOM 0 H THR A 70 2.187 2.203 -7.396 1.00 0.18 H new ATOM 0 HA THR A 70 3.187 4.836 -7.681 1.00 0.23 H new ATOM 0 HB THR A 70 0.292 3.883 -7.393 1.00 0.22 H new ATOM 0 HG1 THR A 70 1.196 2.660 -9.005 1.00 0.23 H new ATOM 0 HG21 THR A 70 -0.198 5.809 -8.870 1.00 0.22 H new ATOM 0 HG22 THR A 70 0.580 6.341 -7.361 1.00 0.22 H new ATOM 0 HG23 THR A 70 1.525 6.251 -8.867 1.00 0.22 H new ATOM 1042 N MET A 71 1.380 4.352 -4.961 1.00 0.37 N ATOM 1043 CA MET A 71 1.055 4.932 -3.627 1.00 0.42 C ATOM 1044 C MET A 71 2.336 5.288 -2.872 1.00 0.36 C ATOM 1045 O MET A 71 2.489 6.384 -2.374 1.00 0.30 O ATOM 1046 CB MET A 71 0.243 3.910 -2.818 1.00 0.58 C ATOM 1047 CG MET A 71 0.079 4.380 -1.363 1.00 0.43 C ATOM 1048 SD MET A 71 -0.517 6.090 -1.318 1.00 0.51 S ATOM 1049 CE MET A 71 -1.412 5.977 0.251 1.00 0.41 C ATOM 0 H MET A 71 0.964 3.439 -5.142 1.00 0.37 H new ATOM 0 HA MET A 71 0.471 5.842 -3.766 1.00 0.42 H new ATOM 0 HB2 MET A 71 -0.737 3.773 -3.274 1.00 0.58 H new ATOM 0 HB3 MET A 71 0.743 2.942 -2.839 1.00 0.58 H new ATOM 0 HG2 MET A 71 -0.622 3.729 -0.840 1.00 0.43 H new ATOM 0 HG3 MET A 71 1.033 4.306 -0.840 1.00 0.43 H new ATOM 0 HE1 MET A 71 -1.869 6.940 0.480 1.00 0.41 H new ATOM 0 HE2 MET A 71 -2.189 5.217 0.173 1.00 0.41 H new ATOM 0 HE3 MET A 71 -0.718 5.706 1.047 1.00 0.41 H new ATOM 1059 N MET A 72 3.253 4.368 -2.766 1.00 0.39 N ATOM 1060 CA MET A 72 4.506 4.668 -2.023 1.00 0.37 C ATOM 1061 C MET A 72 5.258 5.813 -2.705 1.00 0.30 C ATOM 1062 O MET A 72 5.858 6.645 -2.055 1.00 0.29 O ATOM 1063 CB MET A 72 5.389 3.416 -1.944 1.00 0.44 C ATOM 1064 CG MET A 72 4.903 2.515 -0.805 1.00 0.52 C ATOM 1065 SD MET A 72 3.192 2.010 -1.124 1.00 2.02 S ATOM 1066 CE MET A 72 2.574 2.155 0.572 1.00 0.71 C ATOM 0 H MET A 72 3.190 3.429 -3.159 1.00 0.39 H new ATOM 0 HA MET A 72 4.251 4.974 -1.008 1.00 0.37 H new ATOM 0 HB2 MET A 72 5.355 2.874 -2.889 1.00 0.44 H new ATOM 0 HB3 MET A 72 6.428 3.701 -1.777 1.00 0.44 H new ATOM 0 HG2 MET A 72 5.544 1.637 -0.723 1.00 0.52 H new ATOM 0 HG3 MET A 72 4.966 3.046 0.145 1.00 0.52 H new ATOM 0 HE1 MET A 72 1.625 1.626 0.660 1.00 0.71 H new ATOM 0 HE2 MET A 72 3.298 1.720 1.261 1.00 0.71 H new ATOM 0 HE3 MET A 72 2.427 3.207 0.817 1.00 0.71 H new ATOM 1076 N ALA A 73 5.218 5.875 -4.009 1.00 0.27 N ATOM 1077 CA ALA A 73 5.915 6.979 -4.724 1.00 0.24 C ATOM 1078 C ALA A 73 5.283 8.311 -4.315 1.00 0.26 C ATOM 1079 O ALA A 73 5.944 9.326 -4.220 1.00 0.24 O ATOM 1080 CB ALA A 73 5.767 6.782 -6.234 1.00 0.24 C ATOM 0 H ALA A 73 4.732 5.208 -4.609 1.00 0.27 H new ATOM 0 HA ALA A 73 6.974 6.979 -4.465 1.00 0.24 H new ATOM 0 HB1 ALA A 73 6.277 7.590 -6.758 1.00 0.24 H new ATOM 0 HB2 ALA A 73 6.208 5.828 -6.521 1.00 0.24 H new ATOM 0 HB3 ALA A 73 4.710 6.788 -6.500 1.00 0.24 H new ATOM 1086 N ARG A 74 3.998 8.306 -4.077 1.00 0.33 N ATOM 1087 CA ARG A 74 3.298 9.561 -3.677 1.00 0.37 C ATOM 1088 C ARG A 74 3.756 9.998 -2.282 1.00 0.34 C ATOM 1089 O ARG A 74 3.712 11.164 -1.942 1.00 0.32 O ATOM 1090 CB ARG A 74 1.787 9.316 -3.656 1.00 0.47 C ATOM 1091 CG ARG A 74 1.274 9.149 -5.089 1.00 0.18 C ATOM 1092 CD ARG A 74 -0.254 9.017 -5.076 1.00 0.14 C ATOM 1093 NE ARG A 74 -0.715 8.340 -6.332 1.00 1.36 N ATOM 1094 CZ ARG A 74 -0.371 8.783 -7.513 1.00 1.63 C ATOM 1095 NH1 ARG A 74 0.221 9.938 -7.642 1.00 2.86 N ATOM 1096 NH2 ARG A 74 -0.677 8.091 -8.577 1.00 1.33 N ATOM 0 H ARG A 74 3.401 7.482 -4.143 1.00 0.33 H new ATOM 0 HA ARG A 74 3.538 10.345 -4.395 1.00 0.37 H new ATOM 0 HB2 ARG A 74 1.561 8.424 -3.072 1.00 0.47 H new ATOM 0 HB3 ARG A 74 1.280 10.151 -3.172 1.00 0.47 H new ATOM 0 HG2 ARG A 74 1.570 10.006 -5.694 1.00 0.18 H new ATOM 0 HG3 ARG A 74 1.722 8.266 -5.546 1.00 0.18 H new ATOM 0 HD2 ARG A 74 -0.571 8.444 -4.205 1.00 0.14 H new ATOM 0 HD3 ARG A 74 -0.713 10.002 -4.993 1.00 0.14 H new ATOM 0 HE ARG A 74 -1.311 7.515 -6.263 1.00 1.36 H new ATOM 0 HH11 ARG A 74 0.419 10.504 -6.817 1.00 2.86 H new ATOM 0 HH12 ARG A 74 0.486 10.275 -8.568 1.00 2.86 H new ATOM 0 HH21 ARG A 74 -1.182 7.210 -8.484 1.00 1.33 H new ATOM 0 HH22 ARG A 74 -0.411 8.432 -9.501 1.00 1.33 H new ATOM 1110 N LYS A 75 4.175 9.072 -1.464 1.00 0.35 N ATOM 1111 CA LYS A 75 4.610 9.438 -0.087 1.00 0.35 C ATOM 1112 C LYS A 75 6.014 10.043 -0.110 1.00 0.28 C ATOM 1113 O LYS A 75 6.263 11.080 0.472 1.00 0.27 O ATOM 1114 CB LYS A 75 4.611 8.187 0.796 1.00 0.39 C ATOM 1115 CG LYS A 75 3.169 7.731 1.036 1.00 0.47 C ATOM 1116 CD LYS A 75 3.165 6.382 1.764 1.00 1.35 C ATOM 1117 CE LYS A 75 3.928 6.496 3.088 1.00 1.96 C ATOM 1118 NZ LYS A 75 3.657 7.821 3.714 1.00 2.75 N ATOM 0 H LYS A 75 4.235 8.079 -1.689 1.00 0.35 H new ATOM 0 HA LYS A 75 3.916 10.176 0.315 1.00 0.35 H new ATOM 0 HB2 LYS A 75 5.181 7.391 0.317 1.00 0.39 H new ATOM 0 HB3 LYS A 75 5.099 8.400 1.747 1.00 0.39 H new ATOM 0 HG2 LYS A 75 2.636 8.475 1.628 1.00 0.47 H new ATOM 0 HG3 LYS A 75 2.643 7.643 0.086 1.00 0.47 H new ATOM 0 HD2 LYS A 75 2.139 6.065 1.953 1.00 1.35 H new ATOM 0 HD3 LYS A 75 3.624 5.619 1.135 1.00 1.35 H new ATOM 0 HE2 LYS A 75 3.625 5.696 3.763 1.00 1.96 H new ATOM 0 HE3 LYS A 75 4.997 6.378 2.913 1.00 1.96 H new ATOM 0 HZ1 LYS A 75 3.863 7.772 4.732 1.00 2.75 H new ATOM 0 HZ2 LYS A 75 4.261 8.544 3.273 1.00 2.75 H new ATOM 0 HZ3 LYS A 75 2.658 8.073 3.575 1.00 2.75 H new