USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 485 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 51 THR OG1 : rot 81:sc= 0.836 USER MOD Set 1.2: A 53 ASN : amide:sc= -1.18 K(o=-0.76,f=3.9) USER MOD Set 1.3: A 58 SER OG : rot 132:sc= -0.411 USER MOD Set 2.1: A 28 TYR OH : rot 5:sc= 1.33 USER MOD Set 2.2: A 30 HIS : no HD1:sc= 0.991 K(o=3.6,f=-5!) USER MOD Set 2.3: A 33 LYS NZ :NH3+ 179:sc= 1.24 (180deg=0) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0.411 K(o=0.41,f=-2.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.2!) USER MOD Single : A 26 ASN : amide:sc= -0.986 K(o=-0.99,f=-7!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -43:sc= 0.522 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0185 K(o=-0.018,f=-1.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 47 N ASN A 4 -0.665 5.034 8.313 1.00 0.00 N ATOM 48 CA ASN A 4 -1.152 3.668 8.464 1.00 0.00 C ATOM 49 C ASN A 4 -2.292 3.385 7.489 1.00 0.00 C ATOM 50 O ASN A 4 -3.009 4.295 7.078 1.00 0.00 O ATOM 51 CB ASN A 4 -1.595 3.390 9.889 1.00 0.00 C ATOM 52 CG ASN A 4 -0.528 3.648 10.916 1.00 0.00 C ATOM 53 OD1 ASN A 4 0.489 2.947 10.973 1.00 0.00 O ATOM 54 ND2 ASN A 4 -0.791 4.596 11.778 1.00 0.00 N ATOM 0 HA ASN A 4 -0.323 2.999 8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.463 4.008 10.117 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.915 2.351 9.964 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.142 4.785 12.542 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.645 5.146 11.686 1.00 0.00 H new ATOM 61 N GLY A 5 -2.449 2.116 7.123 1.00 0.00 N ATOM 62 CA GLY A 5 -3.531 1.728 6.238 1.00 0.00 C ATOM 63 C GLY A 5 -3.869 0.254 6.347 1.00 0.00 C ATOM 64 O GLY A 5 -3.164 -0.505 7.013 1.00 0.00 O ATOM 0 H GLY A 5 -1.846 1.350 7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.417 2.319 6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.255 1.959 5.209 1.00 0.00 H new ATOM 68 N THR A 6 -4.952 -0.152 5.692 1.00 0.00 N ATOM 69 CA THR A 6 -5.343 -1.556 5.659 1.00 0.00 C ATOM 70 C THR A 6 -5.613 -2.018 4.233 1.00 0.00 C ATOM 71 O THR A 6 -6.258 -1.315 3.454 1.00 0.00 O ATOM 72 CB THR A 6 -6.595 -1.814 6.518 1.00 0.00 C ATOM 73 OG1 THR A 6 -6.324 -1.459 7.880 1.00 0.00 O ATOM 74 CG2 THR A 6 -6.995 -3.279 6.450 1.00 0.00 C ATOM 0 H THR A 6 -5.574 0.471 5.177 1.00 0.00 H new ATOM 0 HA THR A 6 -4.509 -2.125 6.070 1.00 0.00 H new ATOM 0 HB THR A 6 -7.414 -1.206 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.122 -1.622 8.425 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.881 -3.443 7.063 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.213 -3.549 5.417 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.178 -3.897 6.822 1.00 0.00 H new ATOM 82 N ILE A 7 -5.118 -3.204 3.895 1.00 0.00 N ATOM 83 CA ILE A 7 -5.212 -3.712 2.532 1.00 0.00 C ATOM 84 C ILE A 7 -6.500 -4.501 2.326 1.00 0.00 C ATOM 85 O ILE A 7 -6.785 -5.449 3.059 1.00 0.00 O ATOM 86 CB ILE A 7 -4.009 -4.607 2.180 1.00 0.00 C ATOM 87 CG1 ILE A 7 -2.727 -3.775 2.108 1.00 0.00 C ATOM 88 CG2 ILE A 7 -4.253 -5.330 0.864 1.00 0.00 C ATOM 89 CD1 ILE A 7 -1.476 -4.596 1.900 1.00 0.00 C ATOM 0 H ILE A 7 -4.647 -3.831 4.547 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.213 -2.845 1.872 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.890 -5.353 2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.817 -3.056 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.625 -3.202 3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.394 -5.958 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.144 -5.951 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.396 -4.599 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.610 -3.935 1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.359 -5.297 2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.555 -5.148 0.964 1.00 0.00 H new ATOM 101 N THR A 8 -7.277 -4.104 1.323 1.00 0.00 N ATOM 102 CA THR A 8 -8.510 -4.804 0.989 1.00 0.00 C ATOM 103 C THR A 8 -8.310 -5.729 -0.207 1.00 0.00 C ATOM 104 O THR A 8 -9.072 -6.675 -0.409 1.00 0.00 O ATOM 105 CB THR A 8 -9.653 -3.820 0.678 1.00 0.00 C ATOM 106 OG1 THR A 8 -9.313 -3.034 -0.470 1.00 0.00 O ATOM 107 CG2 THR A 8 -9.899 -2.899 1.863 1.00 0.00 C ATOM 0 H THR A 8 -7.074 -3.301 0.728 1.00 0.00 H new ATOM 0 HA THR A 8 -8.782 -5.396 1.863 1.00 0.00 H new ATOM 0 HB THR A 8 -10.560 -4.391 0.479 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.043 -2.410 -0.667 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.710 -2.210 1.626 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.171 -3.493 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.993 -2.333 2.078 1.00 0.00 H new ATOM 115 N THR A 9 -7.280 -5.450 -1.001 1.00 0.00 N ATOM 116 CA THR A 9 -6.982 -6.254 -2.179 1.00 0.00 C ATOM 117 C THR A 9 -5.481 -6.474 -2.330 1.00 0.00 C ATOM 118 O THR A 9 -4.694 -5.532 -2.237 1.00 0.00 O ATOM 119 CB THR A 9 -7.528 -5.599 -3.461 1.00 0.00 C ATOM 120 OG1 THR A 9 -8.946 -5.423 -3.345 1.00 0.00 O ATOM 121 CG2 THR A 9 -7.225 -6.466 -4.674 1.00 0.00 C ATOM 0 H THR A 9 -6.638 -4.672 -0.849 1.00 0.00 H new ATOM 0 HA THR A 9 -7.474 -7.216 -2.037 1.00 0.00 H new ATOM 0 HB THR A 9 -7.045 -4.631 -3.590 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.292 -5.005 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.618 -5.987 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.147 -6.590 -4.772 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.693 -7.443 -4.549 1.00 0.00 H new ATOM 129 N TRP A 10 -5.091 -7.722 -2.564 1.00 0.00 N ATOM 130 CA TRP A 10 -3.684 -8.064 -2.733 1.00 0.00 C ATOM 131 C TRP A 10 -3.510 -9.137 -3.803 1.00 0.00 C ATOM 132 O TRP A 10 -4.021 -10.250 -3.668 1.00 0.00 O ATOM 133 CB TRP A 10 -3.086 -8.539 -1.407 1.00 0.00 C ATOM 134 CG TRP A 10 -1.611 -8.798 -1.475 1.00 0.00 C ATOM 135 CD1 TRP A 10 -0.717 -8.203 -2.314 1.00 0.00 C ATOM 136 CD2 TRP A 10 -0.861 -9.719 -0.674 1.00 0.00 C ATOM 137 NE1 TRP A 10 0.545 -8.696 -2.087 1.00 0.00 N ATOM 138 CE2 TRP A 10 0.482 -9.627 -1.081 1.00 0.00 C ATOM 139 CE3 TRP A 10 -1.196 -10.611 0.352 1.00 0.00 C ATOM 140 CZ2 TRP A 10 1.486 -10.390 -0.506 1.00 0.00 C ATOM 141 CZ3 TRP A 10 -0.189 -11.375 0.929 1.00 0.00 C ATOM 142 CH2 TRP A 10 1.114 -11.267 0.512 1.00 0.00 C ATOM 0 H TRP A 10 -5.730 -8.514 -2.641 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.155 -7.168 -3.056 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.280 -7.789 -0.641 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.593 -9.452 -1.095 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -0.965 -7.453 -3.050 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.390 -8.416 -2.585 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -2.218 -10.703 0.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 2.512 -10.309 -0.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.436 -12.067 1.721 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.870 -11.877 0.984 1.00 0.00 H new ATOM 153 N PHE A 11 -2.787 -8.798 -4.864 1.00 0.00 N ATOM 154 CA PHE A 11 -2.497 -9.750 -5.928 1.00 0.00 C ATOM 155 C PHE A 11 -1.002 -10.048 -5.999 1.00 0.00 C ATOM 156 O PHE A 11 -0.259 -9.387 -6.724 1.00 0.00 O ATOM 157 CB PHE A 11 -2.995 -9.218 -7.274 1.00 0.00 C ATOM 158 CG PHE A 11 -4.492 -9.196 -7.400 1.00 0.00 C ATOM 159 CD1 PHE A 11 -5.280 -10.040 -6.632 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.115 -8.331 -8.288 1.00 0.00 C ATOM 161 CE1 PHE A 11 -6.657 -10.020 -6.747 1.00 0.00 C ATOM 162 CE2 PHE A 11 -6.491 -8.308 -8.404 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.263 -9.155 -7.632 1.00 0.00 C ATOM 0 H PHE A 11 -2.391 -7.870 -5.010 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.022 -10.679 -5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.612 -8.208 -7.419 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.581 -9.833 -8.073 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.812 -10.721 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.517 -7.668 -8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.259 -10.683 -6.143 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.963 -7.628 -9.098 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.339 -9.139 -7.722 1.00 0.00 H new ATOM 173 N LYS A 12 -0.567 -11.049 -5.241 1.00 0.00 N ATOM 174 CA LYS A 12 0.849 -11.383 -5.151 1.00 0.00 C ATOM 175 C LYS A 12 1.396 -11.804 -6.512 1.00 0.00 C ATOM 176 O LYS A 12 2.519 -11.453 -6.875 1.00 0.00 O ATOM 177 CB LYS A 12 1.074 -12.493 -4.124 1.00 0.00 C ATOM 178 CG LYS A 12 2.535 -12.871 -3.917 1.00 0.00 C ATOM 179 CD LYS A 12 2.685 -13.918 -2.824 1.00 0.00 C ATOM 180 CE LYS A 12 4.142 -14.321 -2.638 1.00 0.00 C ATOM 181 NZ LYS A 12 4.302 -15.361 -1.587 1.00 0.00 N ATOM 0 H LYS A 12 -1.176 -11.644 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 12 1.386 -10.492 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.654 -12.178 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.523 -13.379 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.950 -13.254 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.109 -11.983 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.292 -13.526 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.092 -14.797 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.538 -14.695 -3.582 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.730 -13.443 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.308 -15.607 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.948 -14.995 -0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.762 -16.209 -1.853 1.00 0.00 H new ATOM 195 N ASP A 13 0.595 -12.554 -7.260 1.00 0.00 N ATOM 196 CA ASP A 13 1.008 -13.040 -8.571 1.00 0.00 C ATOM 197 C ASP A 13 1.176 -11.883 -9.552 1.00 0.00 C ATOM 198 O ASP A 13 1.920 -11.984 -10.526 1.00 0.00 O ATOM 199 CB ASP A 13 -0.005 -14.051 -9.114 1.00 0.00 C ATOM 200 CG ASP A 13 0.026 -15.406 -8.421 1.00 0.00 C ATOM 201 OD1 ASP A 13 0.960 -15.662 -7.699 1.00 0.00 O ATOM 202 OD2 ASP A 13 -0.954 -16.110 -8.492 1.00 0.00 O ATOM 0 H ASP A 13 -0.344 -12.839 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 13 1.971 -13.537 -8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.006 -13.631 -9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.180 -14.196 -10.178 1.00 0.00 H new ATOM 207 N LYS A 14 0.476 -10.784 -9.287 1.00 0.00 N ATOM 208 CA LYS A 14 0.540 -9.610 -10.148 1.00 0.00 C ATOM 209 C LYS A 14 1.488 -8.564 -9.571 1.00 0.00 C ATOM 210 O LYS A 14 1.899 -7.634 -10.265 1.00 0.00 O ATOM 211 CB LYS A 14 -0.854 -9.011 -10.343 1.00 0.00 C ATOM 212 CG LYS A 14 -1.875 -9.974 -10.934 1.00 0.00 C ATOM 213 CD LYS A 14 -1.477 -10.410 -12.336 1.00 0.00 C ATOM 214 CE LYS A 14 -2.531 -11.315 -12.955 1.00 0.00 C ATOM 215 NZ LYS A 14 -2.127 -11.800 -14.304 1.00 0.00 N ATOM 0 H LYS A 14 -0.142 -10.683 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 14 0.925 -9.923 -11.119 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.222 -8.656 -9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.774 -8.140 -10.994 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.967 -10.849 -10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.854 -9.496 -10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.334 -9.531 -12.965 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.522 -10.934 -12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.706 -12.169 -12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.474 -10.774 -13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.873 -12.413 -14.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.985 -10.987 -14.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.241 -12.339 -14.228 1.00 0.00 H new ATOM 229 N GLY A 15 1.832 -8.721 -8.296 1.00 0.00 N ATOM 230 CA GLY A 15 2.658 -7.736 -7.623 1.00 0.00 C ATOM 231 C GLY A 15 1.900 -6.465 -7.302 1.00 0.00 C ATOM 232 O GLY A 15 2.497 -5.399 -7.143 1.00 0.00 O ATOM 0 H GLY A 15 1.553 -9.513 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.050 -8.164 -6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.515 -7.495 -8.252 1.00 0.00 H new ATOM 236 N PHE A 16 0.578 -6.573 -7.208 1.00 0.00 N ATOM 237 CA PHE A 16 -0.273 -5.406 -7.004 1.00 0.00 C ATOM 238 C PHE A 16 -0.894 -5.422 -5.610 1.00 0.00 C ATOM 239 O PHE A 16 -1.252 -6.479 -5.090 1.00 0.00 O ATOM 240 CB PHE A 16 -1.369 -5.349 -8.069 1.00 0.00 C ATOM 241 CG PHE A 16 -0.844 -5.199 -9.469 1.00 0.00 C ATOM 242 CD1 PHE A 16 0.447 -4.746 -9.697 1.00 0.00 C ATOM 243 CD2 PHE A 16 -1.641 -5.507 -10.562 1.00 0.00 C ATOM 244 CE1 PHE A 16 0.930 -4.608 -10.984 1.00 0.00 C ATOM 245 CE2 PHE A 16 -1.161 -5.370 -11.849 1.00 0.00 C ATOM 246 CZ PHE A 16 0.127 -4.919 -12.060 1.00 0.00 C ATOM 0 H PHE A 16 0.073 -7.457 -7.270 1.00 0.00 H new ATOM 0 HA PHE A 16 0.349 -4.515 -7.093 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.968 -6.258 -8.010 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.034 -4.514 -7.849 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.082 -4.498 -8.859 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.650 -5.858 -10.404 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.938 -4.256 -11.147 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.792 -5.615 -12.690 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.504 -4.810 -13.066 1.00 0.00 H new ATOM 256 N GLY A 17 -1.016 -4.243 -5.009 1.00 0.00 N ATOM 257 CA GLY A 17 -1.734 -4.121 -3.755 1.00 0.00 C ATOM 258 C GLY A 17 -2.524 -2.830 -3.662 1.00 0.00 C ATOM 259 O GLY A 17 -2.209 -1.851 -4.337 1.00 0.00 O ATOM 0 H GLY A 17 -0.630 -3.370 -5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.412 -4.967 -3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.026 -4.170 -2.928 1.00 0.00 H new ATOM 263 N PHE A 18 -3.557 -2.830 -2.825 1.00 0.00 N ATOM 264 CA PHE A 18 -4.331 -1.621 -2.565 1.00 0.00 C ATOM 265 C PHE A 18 -4.474 -1.379 -1.066 1.00 0.00 C ATOM 266 O PHE A 18 -4.589 -2.323 -0.282 1.00 0.00 O ATOM 267 CB PHE A 18 -5.709 -1.717 -3.221 1.00 0.00 C ATOM 268 CG PHE A 18 -5.661 -1.862 -4.716 1.00 0.00 C ATOM 269 CD1 PHE A 18 -5.504 -3.110 -5.300 1.00 0.00 C ATOM 270 CD2 PHE A 18 -5.772 -0.752 -5.540 1.00 0.00 C ATOM 271 CE1 PHE A 18 -5.459 -3.246 -6.675 1.00 0.00 C ATOM 272 CE2 PHE A 18 -5.729 -0.885 -6.913 1.00 0.00 C ATOM 273 CZ PHE A 18 -5.572 -2.133 -7.482 1.00 0.00 C ATOM 0 H PHE A 18 -3.877 -3.653 -2.315 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.796 -0.776 -2.998 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.243 -2.569 -2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.283 -0.825 -2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.416 -3.985 -4.674 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.893 0.228 -5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.335 -4.224 -7.117 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.818 -0.012 -7.543 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.538 -2.238 -8.556 1.00 0.00 H new ATOM 283 N ILE A 19 -4.468 -0.110 -0.674 1.00 0.00 N ATOM 284 CA ILE A 19 -4.534 0.255 0.735 1.00 0.00 C ATOM 285 C ILE A 19 -5.625 1.291 0.985 1.00 0.00 C ATOM 286 O ILE A 19 -5.759 2.260 0.238 1.00 0.00 O ATOM 287 CB ILE A 19 -3.188 0.808 1.238 1.00 0.00 C ATOM 288 CG1 ILE A 19 -2.092 -0.252 1.105 1.00 0.00 C ATOM 289 CG2 ILE A 19 -3.310 1.272 2.682 1.00 0.00 C ATOM 290 CD1 ILE A 19 -0.701 0.268 1.385 1.00 0.00 C ATOM 0 H ILE A 19 -4.418 0.683 -1.313 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.770 -0.656 1.286 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.914 1.665 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.308 -1.072 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.119 -0.664 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.350 1.660 3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.063 2.057 2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.605 0.432 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.020 -0.541 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.463 1.068 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.655 0.654 2.403 1.00 0.00 H new ATOM 302 N LYS A 20 -6.403 1.079 2.042 1.00 0.00 N ATOM 303 CA LYS A 20 -7.326 2.098 2.529 1.00 0.00 C ATOM 304 C LYS A 20 -6.730 2.851 3.714 1.00 0.00 C ATOM 305 O LYS A 20 -6.321 2.245 4.704 1.00 0.00 O ATOM 306 CB LYS A 20 -8.663 1.469 2.922 1.00 0.00 C ATOM 307 CG LYS A 20 -9.727 2.469 3.354 1.00 0.00 C ATOM 308 CD LYS A 20 -11.018 1.767 3.750 1.00 0.00 C ATOM 309 CE LYS A 20 -12.083 2.767 4.176 1.00 0.00 C ATOM 310 NZ LYS A 20 -13.355 2.095 4.560 1.00 0.00 N ATOM 0 H LYS A 20 -6.413 0.211 2.577 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.498 2.809 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.043 0.895 2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.493 0.764 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.357 3.056 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.925 3.167 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.386 1.177 2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.821 1.072 4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.714 3.354 5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.273 3.464 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.054 2.811 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.721 1.556 3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.180 1.448 5.355 1.00 0.00 H new ATOM 324 N ASP A 21 -6.683 4.174 3.606 1.00 0.00 N ATOM 325 CA ASP A 21 -5.949 4.993 4.562 1.00 0.00 C ATOM 326 C ASP A 21 -6.807 5.302 5.785 1.00 0.00 C ATOM 327 O ASP A 21 -8.023 5.117 5.763 1.00 0.00 O ATOM 328 CB ASP A 21 -5.477 6.293 3.906 1.00 0.00 C ATOM 329 CG ASP A 21 -4.318 6.974 4.622 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.886 6.466 5.630 1.00 0.00 O ATOM 331 OD2 ASP A 21 -3.772 7.904 4.076 1.00 0.00 O ATOM 0 H ASP A 21 -7.145 4.702 2.866 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.076 4.428 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.179 6.080 2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.316 6.987 3.857 1.00 0.00 H new ATOM 336 N GLU A 22 -6.164 5.771 6.850 1.00 0.00 N ATOM 337 CA GLU A 22 -6.880 6.352 7.979 1.00 0.00 C ATOM 338 C GLU A 22 -7.791 7.487 7.519 1.00 0.00 C ATOM 339 O GLU A 22 -8.774 7.815 8.182 1.00 0.00 O ATOM 340 CB GLU A 22 -5.896 6.860 9.036 1.00 0.00 C ATOM 341 CG GLU A 22 -5.132 5.762 9.762 1.00 0.00 C ATOM 342 CD GLU A 22 -4.116 6.338 10.708 1.00 0.00 C ATOM 343 OE1 GLU A 22 -4.050 7.538 10.820 1.00 0.00 O ATOM 344 OE2 GLU A 22 -3.483 5.578 11.403 1.00 0.00 O ATOM 0 H GLU A 22 -5.149 5.760 6.954 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.499 5.572 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.180 7.528 8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.443 7.452 9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.831 5.134 10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.633 5.121 9.035 1.00 0.00 H new ATOM 351 N ASN A 23 -7.456 8.082 6.379 1.00 0.00 N ATOM 352 CA ASN A 23 -8.280 9.134 5.795 1.00 0.00 C ATOM 353 C ASN A 23 -9.377 8.541 4.915 1.00 0.00 C ATOM 354 O ASN A 23 -10.317 9.232 4.526 1.00 0.00 O ATOM 355 CB ASN A 23 -7.443 10.121 5.002 1.00 0.00 C ATOM 356 CG ASN A 23 -6.575 11.002 5.854 1.00 0.00 C ATOM 357 OD1 ASN A 23 -6.861 11.234 7.035 1.00 0.00 O ATOM 358 ND2 ASN A 23 -5.562 11.559 5.242 1.00 0.00 N ATOM 0 H ASN A 23 -6.620 7.854 5.841 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.748 9.675 6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.812 9.570 4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.106 10.748 4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.965 12.219 5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.369 11.333 4.266 1.00 0.00 H new ATOM 365 N GLY A 24 -9.251 7.253 4.607 1.00 0.00 N ATOM 366 CA GLY A 24 -10.296 6.558 3.879 1.00 0.00 C ATOM 367 C GLY A 24 -10.054 6.551 2.384 1.00 0.00 C ATOM 368 O GLY A 24 -10.887 6.074 1.614 1.00 0.00 O ATOM 0 H GLY A 24 -8.443 6.679 4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.363 5.531 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.256 7.032 4.086 1.00 0.00 H new ATOM 372 N ASP A 25 -8.909 7.084 1.969 1.00 0.00 N ATOM 373 CA ASP A 25 -8.548 7.115 0.556 1.00 0.00 C ATOM 374 C ASP A 25 -7.976 5.772 0.111 1.00 0.00 C ATOM 375 O ASP A 25 -7.204 5.146 0.835 1.00 0.00 O ATOM 376 CB ASP A 25 -7.539 8.233 0.283 1.00 0.00 C ATOM 377 CG ASP A 25 -8.123 9.638 0.358 1.00 0.00 C ATOM 378 OD1 ASP A 25 -9.324 9.761 0.392 1.00 0.00 O ATOM 379 OD2 ASP A 25 -7.368 10.564 0.539 1.00 0.00 O ATOM 0 H ASP A 25 -8.216 7.500 2.591 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.453 7.312 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.723 8.153 1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.108 8.084 -0.707 1.00 0.00 H new ATOM 384 N ASN A 26 -8.364 5.337 -1.083 1.00 0.00 N ATOM 385 CA ASN A 26 -7.844 4.097 -1.649 1.00 0.00 C ATOM 386 C ASN A 26 -6.595 4.362 -2.485 1.00 0.00 C ATOM 387 O ASN A 26 -6.649 5.066 -3.494 1.00 0.00 O ATOM 388 CB ASN A 26 -8.894 3.382 -2.480 1.00 0.00 C ATOM 389 CG ASN A 26 -8.451 2.038 -2.989 1.00 0.00 C ATOM 390 OD1 ASN A 26 -7.251 1.768 -3.125 1.00 0.00 O ATOM 391 ND2 ASN A 26 -9.411 1.225 -3.349 1.00 0.00 N ATOM 0 H ASN A 26 -9.036 5.823 -1.677 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.574 3.447 -0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -9.795 3.254 -1.879 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -9.163 4.011 -3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.185 0.321 -3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -10.385 1.495 -3.215 1.00 0.00 H new ATOM 398 N ARG A 27 -5.473 3.791 -2.059 1.00 0.00 N ATOM 399 CA ARG A 27 -4.197 4.020 -2.729 1.00 0.00 C ATOM 400 C ARG A 27 -3.671 2.730 -3.349 1.00 0.00 C ATOM 401 O ARG A 27 -3.760 1.659 -2.750 1.00 0.00 O ATOM 402 CB ARG A 27 -3.170 4.658 -1.806 1.00 0.00 C ATOM 403 CG ARG A 27 -3.425 6.120 -1.478 1.00 0.00 C ATOM 404 CD ARG A 27 -2.407 6.736 -0.588 1.00 0.00 C ATOM 405 NE ARG A 27 -2.542 8.174 -0.420 1.00 0.00 N ATOM 406 CZ ARG A 27 -3.223 8.767 0.579 1.00 0.00 C ATOM 407 NH1 ARG A 27 -3.862 8.053 1.480 1.00 0.00 N ATOM 408 NH2 ARG A 27 -3.251 10.087 0.618 1.00 0.00 N ATOM 0 H ARG A 27 -5.421 3.167 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.375 4.733 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.139 4.092 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.186 4.570 -2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.467 6.686 -2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.404 6.209 -1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.465 6.262 0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.416 6.521 -0.988 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.089 8.776 -1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.846 7.034 1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.373 8.518 2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.765 10.629 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.759 10.565 1.363 1.00 0.00 H new ATOM 422 N TYR A 28 -3.121 2.841 -4.554 1.00 0.00 N ATOM 423 CA TYR A 28 -2.559 1.689 -5.246 1.00 0.00 C ATOM 424 C TYR A 28 -1.034 1.703 -5.179 1.00 0.00 C ATOM 425 O TYR A 28 -0.402 2.739 -5.388 1.00 0.00 O ATOM 426 CB TYR A 28 -3.022 1.661 -6.705 1.00 0.00 C ATOM 427 CG TYR A 28 -2.241 0.704 -7.578 1.00 0.00 C ATOM 428 CD1 TYR A 28 -2.332 -0.668 -7.392 1.00 0.00 C ATOM 429 CD2 TYR A 28 -1.415 1.177 -8.588 1.00 0.00 C ATOM 430 CE1 TYR A 28 -1.620 -1.545 -8.186 1.00 0.00 C ATOM 431 CE2 TYR A 28 -0.699 0.308 -9.388 1.00 0.00 C ATOM 432 CZ TYR A 28 -0.804 -1.053 -9.185 1.00 0.00 C ATOM 433 OH TYR A 28 -0.094 -1.922 -9.980 1.00 0.00 O ATOM 0 H TYR A 28 -3.053 3.718 -5.071 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.917 0.789 -4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.077 1.387 -6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.941 2.665 -7.121 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.971 -1.057 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.331 2.241 -8.751 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.701 -2.610 -8.026 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.060 0.692 -10.169 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.338 -2.844 -9.755 1.00 0.00 H new ATOM 443 N PHE A 29 -0.450 0.545 -4.886 1.00 0.00 N ATOM 444 CA PHE A 29 0.993 0.439 -4.715 1.00 0.00 C ATOM 445 C PHE A 29 1.526 -0.830 -5.373 1.00 0.00 C ATOM 446 O PHE A 29 0.772 -1.765 -5.647 1.00 0.00 O ATOM 447 CB PHE A 29 1.361 0.460 -3.230 1.00 0.00 C ATOM 448 CG PHE A 29 1.057 -0.824 -2.513 1.00 0.00 C ATOM 449 CD1 PHE A 29 -0.188 -1.041 -1.945 1.00 0.00 C ATOM 450 CD2 PHE A 29 2.018 -1.819 -2.407 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.468 -2.222 -1.284 1.00 0.00 C ATOM 452 CE2 PHE A 29 1.741 -3.002 -1.747 1.00 0.00 C ATOM 453 CZ PHE A 29 0.498 -3.203 -1.185 1.00 0.00 C ATOM 0 H PHE A 29 -0.955 -0.333 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 29 1.455 1.298 -5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.425 0.677 -3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.823 1.273 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.949 -0.278 -2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.994 -1.668 -2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.442 -2.377 -0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.498 -3.768 -1.672 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.281 -4.126 -0.668 1.00 0.00 H new ATOM 463 N HIS A 30 2.832 -0.857 -5.624 1.00 0.00 N ATOM 464 CA HIS A 30 3.487 -2.052 -6.145 1.00 0.00 C ATOM 465 C HIS A 30 4.318 -2.731 -5.060 1.00 0.00 C ATOM 466 O HIS A 30 4.896 -2.067 -4.199 1.00 0.00 O ATOM 467 CB HIS A 30 4.371 -1.708 -7.347 1.00 0.00 C ATOM 468 CG HIS A 30 3.626 -1.071 -8.479 1.00 0.00 C ATOM 469 ND1 HIS A 30 3.377 0.285 -8.536 1.00 0.00 N ATOM 470 CD2 HIS A 30 3.075 -1.601 -9.594 1.00 0.00 C ATOM 471 CE1 HIS A 30 2.706 0.559 -9.640 1.00 0.00 C ATOM 472 NE2 HIS A 30 2.509 -0.567 -10.300 1.00 0.00 N ATOM 0 H HIS A 30 3.457 -0.065 -5.475 1.00 0.00 H new ATOM 0 HA HIS A 30 2.710 -2.743 -6.472 1.00 0.00 H new ATOM 0 HB2 HIS A 30 5.165 -1.036 -7.022 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.851 -2.618 -7.706 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.079 -2.643 -9.877 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.374 1.539 -9.950 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.017 -0.655 -11.189 1.00 0.00 H new ATOM 479 N VAL A 31 4.372 -4.058 -5.107 1.00 0.00 N ATOM 480 CA VAL A 31 5.158 -4.826 -4.148 1.00 0.00 C ATOM 481 C VAL A 31 6.642 -4.506 -4.272 1.00 0.00 C ATOM 482 O VAL A 31 7.416 -4.727 -3.340 1.00 0.00 O ATOM 483 CB VAL A 31 4.951 -6.341 -4.333 1.00 0.00 C ATOM 484 CG1 VAL A 31 3.497 -6.714 -4.086 1.00 0.00 C ATOM 485 CG2 VAL A 31 5.381 -6.772 -5.726 1.00 0.00 C ATOM 0 H VAL A 31 3.881 -4.624 -5.799 1.00 0.00 H new ATOM 0 HA VAL A 31 4.810 -4.541 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 31 5.570 -6.864 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.369 -7.788 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.219 -6.441 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.860 -6.181 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.228 -7.845 -5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.788 -6.241 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.436 -6.539 -5.869 1.00 0.00 H new ATOM 495 N ILE A 32 7.034 -3.984 -5.430 1.00 0.00 N ATOM 496 CA ILE A 32 8.416 -3.576 -5.655 1.00 0.00 C ATOM 497 C ILE A 32 8.736 -2.284 -4.912 1.00 0.00 C ATOM 498 O ILE A 32 9.902 -1.937 -4.721 1.00 0.00 O ATOM 499 CB ILE A 32 8.710 -3.383 -7.154 1.00 0.00 C ATOM 500 CG1 ILE A 32 7.874 -2.233 -7.719 1.00 0.00 C ATOM 501 CG2 ILE A 32 8.440 -4.669 -7.920 1.00 0.00 C ATOM 502 CD1 ILE A 32 8.247 -1.841 -9.130 1.00 0.00 C ATOM 0 H ILE A 32 6.415 -3.834 -6.226 1.00 0.00 H new ATOM 0 HA ILE A 32 9.048 -4.377 -5.271 1.00 0.00 H new ATOM 0 HB ILE A 32 9.764 -3.131 -7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.822 -2.517 -7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.983 -1.364 -7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.653 -4.514 -8.978 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.079 -5.463 -7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.395 -4.952 -7.798 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.610 -1.020 -9.460 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.290 -1.525 -9.156 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.110 -2.695 -9.793 1.00 0.00 H new ATOM 514 N LYS A 33 7.693 -1.576 -4.492 1.00 0.00 N ATOM 515 CA LYS A 33 7.860 -0.370 -3.691 1.00 0.00 C ATOM 516 C LYS A 33 7.725 -0.681 -2.203 1.00 0.00 C ATOM 517 O LYS A 33 7.523 0.218 -1.387 1.00 0.00 O ATOM 518 CB LYS A 33 6.840 0.693 -4.104 1.00 0.00 C ATOM 519 CG LYS A 33 7.011 1.211 -5.526 1.00 0.00 C ATOM 520 CD LYS A 33 5.738 1.871 -6.032 1.00 0.00 C ATOM 521 CE LYS A 33 5.925 2.435 -7.433 1.00 0.00 C ATOM 522 NZ LYS A 33 4.634 2.866 -8.036 1.00 0.00 N ATOM 0 H LYS A 33 6.723 -1.817 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 33 8.863 0.018 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.838 0.277 -4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.910 1.533 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.832 1.928 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.282 0.386 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.926 1.144 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.446 2.671 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.608 3.283 -7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.389 1.681 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.807 3.259 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.996 2.048 -8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.195 3.592 -7.434 1.00 0.00 H new ATOM 536 N VAL A 34 7.840 -1.959 -1.859 1.00 0.00 N ATOM 537 CA VAL A 34 7.710 -2.391 -0.472 1.00 0.00 C ATOM 538 C VAL A 34 9.040 -2.895 0.075 1.00 0.00 C ATOM 539 O VAL A 34 9.785 -3.588 -0.620 1.00 0.00 O ATOM 540 CB VAL A 34 6.651 -3.500 -0.323 1.00 0.00 C ATOM 541 CG1 VAL A 34 6.496 -3.895 1.138 1.00 0.00 C ATOM 542 CG2 VAL A 34 5.317 -3.043 -0.895 1.00 0.00 C ATOM 0 H VAL A 34 8.023 -2.713 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 34 7.393 -1.519 0.100 1.00 0.00 H new ATOM 0 HB VAL A 34 6.985 -4.373 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.744 -4.679 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.449 -4.262 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.184 -3.027 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.581 -3.839 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.977 -2.155 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.436 -2.807 -1.953 1.00 0.00 H new ATOM 552 N ALA A 35 9.334 -2.544 1.322 1.00 0.00 N ATOM 553 CA ALA A 35 10.595 -2.923 1.946 1.00 0.00 C ATOM 554 C ALA A 35 10.668 -4.430 2.166 1.00 0.00 C ATOM 555 O ALA A 35 11.700 -5.054 1.920 1.00 0.00 O ATOM 556 CB ALA A 35 10.774 -2.186 3.264 1.00 0.00 C ATOM 0 H ALA A 35 8.715 -1.997 1.921 1.00 0.00 H new ATOM 0 HA ALA A 35 11.404 -2.641 1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.720 -2.479 3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.776 -1.111 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.954 -2.439 3.937 1.00 0.00 H new ATOM 562 N ASN A 36 9.567 -5.010 2.631 1.00 0.00 N ATOM 563 CA ASN A 36 9.463 -6.458 2.766 1.00 0.00 C ATOM 564 C ASN A 36 8.099 -6.952 2.294 1.00 0.00 C ATOM 565 O ASN A 36 7.173 -7.140 3.083 1.00 0.00 O ATOM 566 CB ASN A 36 9.721 -6.904 4.194 1.00 0.00 C ATOM 567 CG ASN A 36 11.146 -6.720 4.637 1.00 0.00 C ATOM 568 OD1 ASN A 36 12.035 -7.498 4.273 1.00 0.00 O ATOM 569 ND2 ASN A 36 11.352 -5.746 5.485 1.00 0.00 N ATOM 0 H ASN A 36 8.733 -4.499 2.921 1.00 0.00 H new ATOM 0 HA ASN A 36 10.231 -6.900 2.132 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.067 -6.345 4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.453 -7.956 4.291 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.282 -5.601 5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.583 -5.132 5.753 1.00 0.00 H new ATOM 576 N PRO A 37 7.971 -7.169 0.977 1.00 0.00 N ATOM 577 CA PRO A 37 6.701 -7.560 0.358 1.00 0.00 C ATOM 578 C PRO A 37 6.245 -8.947 0.798 1.00 0.00 C ATOM 579 O PRO A 37 5.087 -9.320 0.606 1.00 0.00 O ATOM 580 CB PRO A 37 6.991 -7.507 -1.145 1.00 0.00 C ATOM 581 CG PRO A 37 8.473 -7.626 -1.242 1.00 0.00 C ATOM 582 CD PRO A 37 9.012 -6.906 -0.034 1.00 0.00 C ATOM 0 HA PRO A 37 5.883 -6.902 0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.492 -8.318 -1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.638 -6.574 -1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.784 -8.671 -1.248 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.844 -7.178 -2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.983 -7.295 0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.139 -5.839 -0.219 1.00 0.00 H new ATOM 590 N ASP A 38 7.161 -9.707 1.388 1.00 0.00 N ATOM 591 CA ASP A 38 6.838 -11.031 1.904 1.00 0.00 C ATOM 592 C ASP A 38 5.931 -10.931 3.128 1.00 0.00 C ATOM 593 O ASP A 38 5.171 -11.852 3.426 1.00 0.00 O ATOM 594 CB ASP A 38 8.115 -11.798 2.256 1.00 0.00 C ATOM 595 CG ASP A 38 8.913 -12.278 1.050 1.00 0.00 C ATOM 596 OD1 ASP A 38 8.387 -12.239 -0.038 1.00 0.00 O ATOM 597 OD2 ASP A 38 10.084 -12.529 1.199 1.00 0.00 O ATOM 0 H ASP A 38 8.133 -9.428 1.521 1.00 0.00 H new ATOM 0 HA ASP A 38 6.306 -11.576 1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.752 -11.158 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.850 -12.660 2.867 1.00 0.00 H new ATOM 602 N LEU A 39 6.019 -9.809 3.832 1.00 0.00 N ATOM 603 CA LEU A 39 5.356 -9.662 5.124 1.00 0.00 C ATOM 604 C LEU A 39 4.031 -8.921 4.975 1.00 0.00 C ATOM 605 O LEU A 39 3.322 -8.695 5.955 1.00 0.00 O ATOM 606 CB LEU A 39 6.271 -8.930 6.112 1.00 0.00 C ATOM 607 CG LEU A 39 7.594 -9.640 6.426 1.00 0.00 C ATOM 608 CD1 LEU A 39 8.441 -8.780 7.353 1.00 0.00 C ATOM 609 CD2 LEU A 39 7.306 -10.994 7.059 1.00 0.00 C ATOM 0 H LEU A 39 6.543 -8.987 3.531 1.00 0.00 H new ATOM 0 HA LEU A 39 5.145 -10.658 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.494 -7.941 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.727 -8.781 7.045 1.00 0.00 H new ATOM 0 HG LEU A 39 8.152 -9.796 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.378 -9.293 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.653 -7.825 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.900 -8.605 8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.246 -11.499 7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.743 -10.852 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.723 -11.602 6.368 1.00 0.00 H new ATOM 621 N ILE A 40 3.704 -8.546 3.743 1.00 0.00 N ATOM 622 CA ILE A 40 2.418 -7.927 3.448 1.00 0.00 C ATOM 623 C ILE A 40 1.265 -8.795 3.941 1.00 0.00 C ATOM 624 O ILE A 40 1.250 -10.007 3.726 1.00 0.00 O ATOM 625 CB ILE A 40 2.246 -7.669 1.940 1.00 0.00 C ATOM 626 CG1 ILE A 40 3.225 -6.592 1.468 1.00 0.00 C ATOM 627 CG2 ILE A 40 0.813 -7.265 1.629 1.00 0.00 C ATOM 628 CD1 ILE A 40 3.233 -6.388 -0.030 1.00 0.00 C ATOM 0 H ILE A 40 4.313 -8.660 2.932 1.00 0.00 H new ATOM 0 HA ILE A 40 2.401 -6.972 3.973 1.00 0.00 H new ATOM 0 HB ILE A 40 2.465 -8.592 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.974 -5.648 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.230 -6.860 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.709 -7.087 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.136 -8.064 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.565 -6.354 2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.951 -5.609 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.515 -7.319 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.239 -6.088 -0.362 1.00 0.00 H new ATOM 640 N LYS A 41 0.298 -8.166 4.599 1.00 0.00 N ATOM 641 CA LYS A 41 -0.912 -8.860 5.031 1.00 0.00 C ATOM 642 C LYS A 41 -2.154 -8.033 4.715 1.00 0.00 C ATOM 643 O LYS A 41 -2.083 -6.812 4.580 1.00 0.00 O ATOM 644 CB LYS A 41 -0.848 -9.169 6.527 1.00 0.00 C ATOM 645 CG LYS A 41 0.232 -10.170 6.917 1.00 0.00 C ATOM 646 CD LYS A 41 0.220 -10.443 8.414 1.00 0.00 C ATOM 647 CE LYS A 41 1.300 -11.439 8.805 1.00 0.00 C ATOM 648 NZ LYS A 41 1.276 -11.743 10.262 1.00 0.00 N ATOM 0 H LYS A 41 0.327 -7.177 4.846 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.977 -9.800 4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.678 -8.240 7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.816 -9.554 6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.079 -11.103 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.209 -9.787 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.370 -9.510 8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.756 -10.829 8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.165 -12.361 8.240 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.277 -11.039 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.028 -12.426 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.431 -10.868 10.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.353 -12.148 10.517 1.00 0.00 H new ATOM 662 N LYS A 42 -3.293 -8.707 4.600 1.00 0.00 N ATOM 663 CA LYS A 42 -4.552 -8.037 4.295 1.00 0.00 C ATOM 664 C LYS A 42 -4.896 -7.010 5.367 1.00 0.00 C ATOM 665 O LYS A 42 -4.660 -5.814 5.193 1.00 0.00 O ATOM 666 CB LYS A 42 -5.684 -9.057 4.158 1.00 0.00 C ATOM 667 CG LYS A 42 -7.025 -8.457 3.757 1.00 0.00 C ATOM 668 CD LYS A 42 -8.081 -9.537 3.571 1.00 0.00 C ATOM 669 CE LYS A 42 -9.426 -8.937 3.192 1.00 0.00 C ATOM 670 NZ LYS A 42 -10.467 -9.984 2.997 1.00 0.00 N ATOM 0 H LYS A 42 -3.370 -9.718 4.713 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.434 -7.515 3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.397 -9.803 3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.803 -9.580 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.353 -7.752 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.911 -7.893 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.760 -10.233 2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.183 -10.111 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.748 -8.246 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.319 -8.356 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.368 -9.534 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.173 -10.629 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.588 -10.522 3.879 1.00 0.00 H new ATOM 684 N ASP A 43 -5.452 -7.482 6.477 1.00 0.00 N ATOM 685 CA ASP A 43 -5.899 -6.597 7.545 1.00 0.00 C ATOM 686 C ASP A 43 -4.720 -6.111 8.381 1.00 0.00 C ATOM 687 O ASP A 43 -4.781 -5.053 9.005 1.00 0.00 O ATOM 688 CB ASP A 43 -6.923 -7.303 8.437 1.00 0.00 C ATOM 689 CG ASP A 43 -8.288 -7.501 7.791 1.00 0.00 C ATOM 690 OD1 ASP A 43 -8.536 -6.897 6.775 1.00 0.00 O ATOM 691 OD2 ASP A 43 -9.010 -8.364 8.229 1.00 0.00 O ATOM 0 H ASP A 43 -5.604 -8.474 6.660 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.374 -5.730 7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.526 -8.276 8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.048 -6.726 9.353 1.00 0.00 H new ATOM 696 N ALA A 44 -3.644 -6.894 8.388 1.00 0.00 N ATOM 697 CA ALA A 44 -2.546 -6.676 9.320 1.00 0.00 C ATOM 698 C ALA A 44 -1.449 -5.828 8.687 1.00 0.00 C ATOM 699 O ALA A 44 -0.333 -5.754 9.203 1.00 0.00 O ATOM 700 CB ALA A 44 -1.982 -8.007 9.793 1.00 0.00 C ATOM 0 H ALA A 44 -3.511 -7.685 7.758 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.936 -6.134 10.181 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.162 -7.828 10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.765 -8.577 10.293 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.614 -8.571 8.936 1.00 0.00 H new ATOM 706 N ALA A 45 -1.772 -5.192 7.566 1.00 0.00 N ATOM 707 CA ALA A 45 -0.764 -4.531 6.745 1.00 0.00 C ATOM 708 C ALA A 45 -0.082 -3.404 7.513 1.00 0.00 C ATOM 709 O ALA A 45 -0.624 -2.892 8.494 1.00 0.00 O ATOM 710 CB ALA A 45 -1.391 -3.998 5.467 1.00 0.00 C ATOM 0 H ALA A 45 -2.723 -5.120 7.205 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.004 -5.268 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.627 -3.507 4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.824 -4.824 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.172 -3.280 5.717 1.00 0.00 H new ATOM 716 N VAL A 46 1.108 -3.023 7.063 1.00 0.00 N ATOM 717 CA VAL A 46 1.898 -2.010 7.753 1.00 0.00 C ATOM 718 C VAL A 46 1.766 -0.651 7.074 1.00 0.00 C ATOM 719 O VAL A 46 0.681 -0.266 6.635 1.00 0.00 O ATOM 720 CB VAL A 46 3.386 -2.402 7.815 1.00 0.00 C ATOM 721 CG1 VAL A 46 3.583 -3.610 8.718 1.00 0.00 C ATOM 722 CG2 VAL A 46 3.921 -2.689 6.420 1.00 0.00 C ATOM 0 H VAL A 46 1.547 -3.400 6.223 1.00 0.00 H new ATOM 0 HA VAL A 46 1.507 -1.943 8.768 1.00 0.00 H new ATOM 0 HB VAL A 46 3.944 -1.564 8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.641 -3.872 8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.238 -3.372 9.724 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.012 -4.453 8.328 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.974 -2.964 6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.358 -3.510 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.816 -1.799 5.800 1.00 0.00 H new ATOM 732 N THR A 47 2.878 0.073 6.990 1.00 0.00 N ATOM 733 CA THR A 47 2.836 1.523 6.850 1.00 0.00 C ATOM 734 C THR A 47 3.418 1.963 5.510 1.00 0.00 C ATOM 735 O THR A 47 4.190 1.232 4.887 1.00 0.00 O ATOM 736 CB THR A 47 3.604 2.223 7.987 1.00 0.00 C ATOM 737 OG1 THR A 47 4.998 1.901 7.896 1.00 0.00 O ATOM 738 CG2 THR A 47 3.073 1.778 9.341 1.00 0.00 C ATOM 0 H THR A 47 3.818 -0.321 7.017 1.00 0.00 H new ATOM 0 HA THR A 47 1.787 1.814 6.901 1.00 0.00 H new ATOM 0 HB THR A 47 3.466 3.300 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.101 0.945 7.706 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.627 2.282 10.133 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.016 2.033 9.419 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.195 0.700 9.443 1.00 0.00 H new ATOM 746 N PHE A 48 3.046 3.160 5.073 1.00 0.00 N ATOM 747 CA PHE A 48 3.408 3.635 3.743 1.00 0.00 C ATOM 748 C PHE A 48 3.507 5.158 3.718 1.00 0.00 C ATOM 749 O PHE A 48 3.029 5.835 4.626 1.00 0.00 O ATOM 750 CB PHE A 48 2.392 3.153 2.707 1.00 0.00 C ATOM 751 CG PHE A 48 1.026 3.756 2.873 1.00 0.00 C ATOM 752 CD1 PHE A 48 0.108 3.199 3.750 1.00 0.00 C ATOM 753 CD2 PHE A 48 0.656 4.882 2.152 1.00 0.00 C ATOM 754 CE1 PHE A 48 -1.150 3.751 3.902 1.00 0.00 C ATOM 755 CE2 PHE A 48 -0.600 5.437 2.303 1.00 0.00 C ATOM 756 CZ PHE A 48 -1.503 4.872 3.178 1.00 0.00 C ATOM 0 H PHE A 48 2.494 3.820 5.620 1.00 0.00 H new ATOM 0 HA PHE A 48 4.386 3.224 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.764 3.388 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.310 2.068 2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.379 2.323 4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.358 5.330 1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.856 3.306 4.587 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.875 6.314 1.735 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.485 5.306 3.297 1.00 0.00 H new ATOM 766 N GLU A 49 4.133 5.687 2.670 1.00 0.00 N ATOM 767 CA GLU A 49 4.099 7.120 2.405 1.00 0.00 C ATOM 768 C GLU A 49 3.122 7.443 1.279 1.00 0.00 C ATOM 769 O GLU A 49 3.164 6.855 0.199 1.00 0.00 O ATOM 770 CB GLU A 49 5.496 7.635 2.056 1.00 0.00 C ATOM 771 CG GLU A 49 5.560 9.126 1.752 1.00 0.00 C ATOM 772 CD GLU A 49 6.960 9.554 1.409 1.00 0.00 C ATOM 773 OE1 GLU A 49 7.834 8.721 1.416 1.00 0.00 O ATOM 774 OE2 GLU A 49 7.136 10.688 1.032 1.00 0.00 O ATOM 0 H GLU A 49 4.669 5.145 1.992 1.00 0.00 H new ATOM 0 HA GLU A 49 3.757 7.621 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.168 7.417 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.867 7.084 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.893 9.359 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.206 9.691 2.614 1.00 0.00 H new ATOM 781 N PRO A 50 2.216 8.400 1.538 1.00 0.00 N ATOM 782 CA PRO A 50 1.174 8.782 0.581 1.00 0.00 C ATOM 783 C PRO A 50 1.743 9.483 -0.647 1.00 0.00 C ATOM 784 O PRO A 50 2.621 10.339 -0.536 1.00 0.00 O ATOM 785 CB PRO A 50 0.253 9.704 1.387 1.00 0.00 C ATOM 786 CG PRO A 50 1.123 10.241 2.472 1.00 0.00 C ATOM 787 CD PRO A 50 2.055 9.114 2.831 1.00 0.00 C ATOM 0 HA PRO A 50 0.651 7.915 0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.149 10.505 0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.598 9.158 1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.677 11.117 2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.531 10.551 3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.008 9.482 3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.632 8.468 3.600 1.00 0.00 H new ATOM 795 N THR A 51 1.237 9.116 -1.821 1.00 0.00 N ATOM 796 CA THR A 51 1.662 9.743 -3.067 1.00 0.00 C ATOM 797 C THR A 51 0.487 9.921 -4.022 1.00 0.00 C ATOM 798 O THR A 51 -0.564 9.301 -3.853 1.00 0.00 O ATOM 799 CB THR A 51 2.761 8.923 -3.766 1.00 0.00 C ATOM 800 OG1 THR A 51 2.282 7.596 -4.021 1.00 0.00 O ATOM 801 CG2 THR A 51 4.007 8.849 -2.896 1.00 0.00 C ATOM 0 H THR A 51 0.532 8.388 -1.935 1.00 0.00 H new ATOM 0 HA THR A 51 2.065 10.722 -2.806 1.00 0.00 H new ATOM 0 HB THR A 51 3.015 9.412 -4.706 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.729 7.598 -4.830 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.773 8.265 -3.407 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.381 9.856 -2.710 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.760 8.373 -1.947 1.00 0.00 H new ATOM 809 N THR A 52 0.670 10.773 -5.026 1.00 0.00 N ATOM 810 CA THR A 52 -0.416 11.138 -5.925 1.00 0.00 C ATOM 811 C THR A 52 0.028 11.072 -7.381 1.00 0.00 C ATOM 812 O THR A 52 1.110 11.543 -7.732 1.00 0.00 O ATOM 813 CB THR A 52 -0.946 12.553 -5.625 1.00 0.00 C ATOM 814 OG1 THR A 52 -1.427 12.609 -4.274 1.00 0.00 O ATOM 815 CG2 THR A 52 -2.077 12.912 -6.576 1.00 0.00 C ATOM 0 H THR A 52 1.561 11.223 -5.236 1.00 0.00 H new ATOM 0 HA THR A 52 -1.216 10.417 -5.759 1.00 0.00 H new ATOM 0 HB THR A 52 -0.132 13.266 -5.759 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.762 13.510 -4.083 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.439 13.915 -6.349 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.713 12.881 -7.603 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.892 12.197 -6.459 1.00 0.00 H new ATOM 823 N ASN A 53 -0.812 10.484 -8.226 1.00 0.00 N ATOM 824 CA ASN A 53 -0.552 10.445 -9.661 1.00 0.00 C ATOM 825 C ASN A 53 -1.751 10.968 -10.446 1.00 0.00 C ATOM 826 O ASN A 53 -2.855 11.077 -9.913 1.00 0.00 O ATOM 827 CB ASN A 53 -0.190 9.046 -10.122 1.00 0.00 C ATOM 828 CG ASN A 53 1.070 8.509 -9.499 1.00 0.00 C ATOM 829 OD1 ASN A 53 2.171 9.017 -9.740 1.00 0.00 O ATOM 830 ND2 ASN A 53 0.923 7.436 -8.764 1.00 0.00 N ATOM 0 H ASN A 53 -1.679 10.028 -7.942 1.00 0.00 H new ATOM 0 HA ASN A 53 0.301 11.095 -9.855 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.015 8.372 -9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.076 9.049 -11.206 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.740 6.979 -8.360 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.009 7.057 -8.596 1.00 0.00 H new ATOM 837 N ASN A 54 -1.525 11.291 -11.715 1.00 0.00 N ATOM 838 CA ASN A 54 -2.609 11.681 -12.609 1.00 0.00 C ATOM 839 C ASN A 54 -3.515 10.494 -12.917 1.00 0.00 C ATOM 840 O ASN A 54 -4.624 10.659 -13.426 1.00 0.00 O ATOM 841 CB ASN A 54 -2.079 12.288 -13.895 1.00 0.00 C ATOM 842 CG ASN A 54 -1.493 13.662 -13.721 1.00 0.00 C ATOM 843 OD1 ASN A 54 -1.783 14.362 -12.745 1.00 0.00 O ATOM 844 ND2 ASN A 54 -0.736 14.081 -14.702 1.00 0.00 N ATOM 0 H ASN A 54 -0.601 11.290 -12.147 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.196 12.442 -12.095 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.317 11.628 -14.310 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.889 12.338 -14.623 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.355 15.027 -14.684 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.527 13.462 -15.485 1.00 0.00 H new ATOM 851 N LYS A 55 -3.036 9.294 -12.602 1.00 0.00 N ATOM 852 CA LYS A 55 -3.810 8.078 -12.826 1.00 0.00 C ATOM 853 C LYS A 55 -4.585 7.689 -11.571 1.00 0.00 C ATOM 854 O LYS A 55 -5.390 6.759 -11.592 1.00 0.00 O ATOM 855 CB LYS A 55 -2.894 6.932 -13.259 1.00 0.00 C ATOM 856 CG LYS A 55 -2.202 7.151 -14.598 1.00 0.00 C ATOM 857 CD LYS A 55 -1.295 5.982 -14.949 1.00 0.00 C ATOM 858 CE LYS A 55 -0.591 6.208 -16.280 1.00 0.00 C ATOM 859 NZ LYS A 55 0.263 5.050 -16.661 1.00 0.00 N ATOM 0 H LYS A 55 -2.116 9.138 -12.191 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.526 8.274 -13.624 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.135 6.780 -12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.480 6.015 -13.313 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.951 7.281 -15.380 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.617 8.070 -14.561 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.554 5.845 -14.162 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.882 5.065 -14.997 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.334 6.383 -17.058 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.023 7.107 -16.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.724 5.244 -17.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.988 4.899 -15.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.326 4.197 -16.746 1.00 0.00 H new ATOM 873 N GLY A 56 -4.337 8.406 -10.480 1.00 0.00 N ATOM 874 CA GLY A 56 -5.047 8.145 -9.242 1.00 0.00 C ATOM 875 C GLY A 56 -4.138 8.195 -8.031 1.00 0.00 C ATOM 876 O GLY A 56 -2.934 8.419 -8.157 1.00 0.00 O ATOM 0 H GLY A 56 -3.656 9.164 -10.431 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.846 8.877 -9.123 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.519 7.164 -9.298 1.00 0.00 H new ATOM 880 N LEU A 57 -4.715 7.987 -6.852 1.00 0.00 N ATOM 881 CA LEU A 57 -3.947 8.005 -5.612 1.00 0.00 C ATOM 882 C LEU A 57 -3.147 6.717 -5.447 1.00 0.00 C ATOM 883 O LEU A 57 -3.638 5.628 -5.742 1.00 0.00 O ATOM 884 CB LEU A 57 -4.880 8.213 -4.412 1.00 0.00 C ATOM 885 CG LEU A 57 -5.635 9.547 -4.396 1.00 0.00 C ATOM 886 CD1 LEU A 57 -6.609 9.582 -3.226 1.00 0.00 C ATOM 887 CD2 LEU A 57 -4.640 10.694 -4.304 1.00 0.00 C ATOM 0 H LEU A 57 -5.711 7.804 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.244 8.836 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.608 7.402 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.292 8.135 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.206 9.652 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.140 10.534 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.326 8.767 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.059 9.471 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.178 11.642 -4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.056 10.597 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.972 10.666 -5.165 1.00 0.00 H new ATOM 899 N SER A 58 -1.912 6.849 -4.974 1.00 0.00 N ATOM 900 CA SER A 58 -0.989 5.722 -4.922 1.00 0.00 C ATOM 901 C SER A 58 -0.140 5.772 -3.654 1.00 0.00 C ATOM 902 O SER A 58 -0.138 6.771 -2.936 1.00 0.00 O ATOM 903 CB SER A 58 -0.103 5.715 -6.152 1.00 0.00 C ATOM 904 OG SER A 58 0.710 6.853 -6.224 1.00 0.00 O ATOM 0 H SER A 58 -1.528 7.725 -4.621 1.00 0.00 H new ATOM 0 HA SER A 58 -1.572 4.801 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.523 4.823 -6.142 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.725 5.657 -7.045 1.00 0.00 H new ATOM 0 HG SER A 58 1.633 6.584 -6.414 1.00 0.00 H new ATOM 910 N ALA A 59 0.576 4.686 -3.387 1.00 0.00 N ATOM 911 CA ALA A 59 1.385 4.584 -2.177 1.00 0.00 C ATOM 912 C ALA A 59 2.820 4.191 -2.509 1.00 0.00 C ATOM 913 O ALA A 59 3.065 3.415 -3.434 1.00 0.00 O ATOM 914 CB ALA A 59 0.769 3.577 -1.215 1.00 0.00 C ATOM 0 H ALA A 59 0.613 3.865 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 59 1.405 5.563 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.382 3.510 -0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.237 3.900 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.720 2.599 -1.694 1.00 0.00 H new ATOM 920 N TYR A 60 3.767 4.731 -1.749 1.00 0.00 N ATOM 921 CA TYR A 60 5.182 4.507 -2.017 1.00 0.00 C ATOM 922 C TYR A 60 5.966 4.360 -0.716 1.00 0.00 C ATOM 923 O TYR A 60 5.551 4.857 0.331 1.00 0.00 O ATOM 924 CB TYR A 60 5.757 5.652 -2.854 1.00 0.00 C ATOM 925 CG TYR A 60 7.220 5.482 -3.203 1.00 0.00 C ATOM 926 CD1 TYR A 60 7.623 4.549 -4.146 1.00 0.00 C ATOM 927 CD2 TYR A 60 8.192 6.259 -2.589 1.00 0.00 C ATOM 928 CE1 TYR A 60 8.957 4.389 -4.469 1.00 0.00 C ATOM 929 CE2 TYR A 60 9.528 6.108 -2.904 1.00 0.00 C ATOM 930 CZ TYR A 60 9.907 5.172 -3.845 1.00 0.00 C ATOM 931 OH TYR A 60 11.237 5.019 -4.164 1.00 0.00 O ATOM 0 H TYR A 60 3.580 5.327 -0.943 1.00 0.00 H new ATOM 0 HA TYR A 60 5.276 3.579 -2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.182 5.740 -3.776 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.630 6.587 -2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.881 3.936 -4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.899 6.993 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.254 3.656 -5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.273 6.719 -2.416 1.00 0.00 H new ATOM 0 HH TYR A 60 11.774 5.646 -3.637 1.00 0.00 H new ATOM 941 N ALA A 61 7.102 3.676 -0.792 1.00 0.00 N ATOM 942 CA ALA A 61 7.969 3.504 0.367 1.00 0.00 C ATOM 943 C ALA A 61 7.236 2.797 1.501 1.00 0.00 C ATOM 944 O ALA A 61 7.075 3.349 2.590 1.00 0.00 O ATOM 945 CB ALA A 61 8.497 4.853 0.836 1.00 0.00 C ATOM 0 H ALA A 61 7.444 3.232 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 61 8.812 2.880 0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.143 4.710 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.066 5.320 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.660 5.496 1.110 1.00 0.00 H new ATOM 951 N VAL A 62 6.793 1.572 1.241 1.00 0.00 N ATOM 952 CA VAL A 62 6.076 0.790 2.239 1.00 0.00 C ATOM 953 C VAL A 62 7.042 0.098 3.195 1.00 0.00 C ATOM 954 O VAL A 62 7.966 -0.594 2.768 1.00 0.00 O ATOM 955 CB VAL A 62 5.169 -0.269 1.584 1.00 0.00 C ATOM 956 CG1 VAL A 62 4.458 -1.094 2.647 1.00 0.00 C ATOM 957 CG2 VAL A 62 4.157 0.393 0.661 1.00 0.00 C ATOM 0 H VAL A 62 6.918 1.099 0.346 1.00 0.00 H new ATOM 0 HA VAL A 62 5.455 1.489 2.799 1.00 0.00 H new ATOM 0 HB VAL A 62 5.794 -0.936 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.822 -1.837 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.196 -1.598 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.846 -0.439 3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.525 -0.370 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.538 1.083 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.682 0.941 -0.121 1.00 0.00 H new ATOM 967 N LYS A 63 6.821 0.290 4.492 1.00 0.00 N ATOM 968 CA LYS A 63 7.794 -0.111 5.500 1.00 0.00 C ATOM 969 C LYS A 63 7.148 -1.002 6.555 1.00 0.00 C ATOM 970 O LYS A 63 6.108 -0.663 7.117 1.00 0.00 O ATOM 971 CB LYS A 63 8.422 1.119 6.159 1.00 0.00 C ATOM 972 CG LYS A 63 9.253 1.982 5.218 1.00 0.00 C ATOM 973 CD LYS A 63 9.878 3.158 5.953 1.00 0.00 C ATOM 974 CE LYS A 63 10.633 4.070 4.997 1.00 0.00 C ATOM 975 NZ LYS A 63 11.253 5.224 5.703 1.00 0.00 N ATOM 0 H LYS A 63 5.977 0.721 4.869 1.00 0.00 H new ATOM 0 HA LYS A 63 8.579 -0.681 5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.629 1.731 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.054 0.791 6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.037 1.377 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.624 2.350 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.100 3.726 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.558 2.790 6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.408 3.498 4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.950 4.438 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.758 5.821 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.512 5.784 6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.924 4.875 6.417 1.00 0.00 H new ATOM 989 N VAL A 64 7.775 -2.144 6.823 1.00 0.00 N ATOM 990 CA VAL A 64 7.280 -3.070 7.834 1.00 0.00 C ATOM 991 C VAL A 64 7.856 -2.746 9.207 1.00 0.00 C ATOM 992 O VAL A 64 9.074 -2.725 9.392 1.00 0.00 O ATOM 993 CB VAL A 64 7.616 -4.530 7.478 1.00 0.00 C ATOM 994 CG1 VAL A 64 7.142 -5.469 8.578 1.00 0.00 C ATOM 995 CG2 VAL A 64 6.988 -4.912 6.146 1.00 0.00 C ATOM 0 H VAL A 64 8.627 -2.449 6.353 1.00 0.00 H new ATOM 0 HA VAL A 64 6.197 -2.954 7.861 1.00 0.00 H new ATOM 0 HB VAL A 64 8.698 -4.622 7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.388 -6.497 8.310 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.636 -5.210 9.515 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.063 -5.373 8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.236 -5.947 5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.905 -4.804 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.372 -4.259 5.362 1.00 0.00 H new ATOM 1005 N VAL A 65 6.975 -2.493 10.170 1.00 0.00 N ATOM 1006 CA VAL A 65 7.395 -2.227 11.541 1.00 0.00 C ATOM 1007 C VAL A 65 7.193 -3.452 12.425 1.00 0.00 C ATOM 1008 O VAL A 65 6.121 -4.057 12.454 1.00 0.00 O ATOM 1009 CB VAL A 65 6.627 -1.037 12.145 1.00 0.00 C ATOM 1010 CG1 VAL A 65 7.038 -0.818 13.594 1.00 0.00 C ATOM 1011 CG2 VAL A 65 6.869 0.224 11.329 1.00 0.00 C ATOM 0 H VAL A 65 5.966 -2.467 10.026 1.00 0.00 H new ATOM 0 HA VAL A 65 8.456 -1.981 11.504 1.00 0.00 H new ATOM 0 HB VAL A 65 5.562 -1.266 12.118 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.486 0.027 14.005 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.816 -1.714 14.174 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.107 -0.610 13.642 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.318 1.054 11.771 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.934 0.456 11.325 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.528 0.066 10.306 1.00 0.00 H new