USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 570 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 28 TYR OH : rot 165:sc= 0.513 USER MOD Set 1.2: A 51 THR OG1 : rot -48:sc= 1.19 USER MOD Set 1.3: A 53 ASN : amide:sc= 0.137 K(o=2.5,f=-7.3!) USER MOD Set 1.4: A 58 SER OG : rot 47:sc= 0.695 USER MOD Set 2.1: A 33 LYS NZ :NH3+ -176:sc= 0.734 (180deg=-0.013) USER MOD Set 2.2: A 60 TYR OH : rot 120:sc= 0.655 USER MOD Set 3.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 41 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0548) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.0991) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.0695 (180deg=-0.101) USER MOD Single : A 3 MET CE :methyl -112:sc= -0.0362 (180deg=-2.02!) USER MOD Single : A 4 ASN : amide:sc=-0.00481 K(o=-0.0048,f=-0.86) USER MOD Single : A 6 THR OG1 : rot 63:sc= 0.988 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -129:sc= 0.966 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= -0.0169 K(o=-0.017,f=-1.1) USER MOD Single : A 26 ASN : amide:sc=-0.00828 X(o=-0.0083,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0.564 K(o=0.56,f=-7.5!) USER MOD Single : A 36 ASN : amide:sc= -1.97! C(o=-2!,f=-4.8!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 168:sc= 1.14 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc=-0.00651 K(o=-0.0065,f=-1.3) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.8 K(o=0.8,f=-2.8!) USER MOD Single : A 70 HIS : no HD1:sc= -0.323 K(o=-0.32,f=-1.2) USER MOD Single : A 71 HIS : no HD1:sc= 0.794 K(o=0.79,f=-2.5!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.260 10.758 11.364 1.00 0.00 N ATOM 2 CA MET A 1 5.810 10.599 11.379 1.00 0.00 C ATOM 3 C MET A 1 5.405 9.248 10.800 1.00 0.00 C ATOM 4 O MET A 1 6.173 8.617 10.073 1.00 0.00 O ATOM 5 CB MET A 1 5.146 11.731 10.598 1.00 0.00 C ATOM 6 CG MET A 1 5.282 13.105 11.240 1.00 0.00 C ATOM 7 SD MET A 1 4.529 14.413 10.253 1.00 0.00 S ATOM 8 CE MET A 1 2.790 14.090 10.534 1.00 0.00 C ATOM 0 H1 MET A 1 7.606 10.878 12.337 1.00 0.00 H new ATOM 0 H2 MET A 1 7.697 9.914 10.942 1.00 0.00 H new ATOM 0 H3 MET A 1 7.512 11.596 10.802 1.00 0.00 H new ATOM 0 HA MET A 1 5.473 10.640 12.415 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.577 11.767 9.598 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.087 11.502 10.480 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.819 13.088 12.227 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.338 13.329 11.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.198 14.915 10.138 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.506 13.166 10.031 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.606 13.992 11.604 1.00 0.00 H new ATOM 20 N ALA A 2 4.194 8.808 11.126 1.00 0.00 N ATOM 21 CA ALA A 2 3.684 7.534 10.634 1.00 0.00 C ATOM 22 C ALA A 2 2.161 7.494 10.685 1.00 0.00 C ATOM 23 O ALA A 2 1.539 8.207 11.472 1.00 0.00 O ATOM 24 CB ALA A 2 4.272 6.384 11.439 1.00 0.00 C ATOM 0 H ALA A 2 3.547 9.316 11.729 1.00 0.00 H new ATOM 0 HA ALA A 2 3.988 7.427 9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.883 5.439 11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.358 6.392 11.346 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.997 6.496 12.488 1.00 0.00 H new ATOM 30 N MET A 3 1.567 6.658 9.842 1.00 0.00 N ATOM 31 CA MET A 3 0.116 6.521 9.797 1.00 0.00 C ATOM 32 C MET A 3 -0.294 5.052 9.856 1.00 0.00 C ATOM 33 O MET A 3 0.475 4.168 9.481 1.00 0.00 O ATOM 34 CB MET A 3 -0.439 7.176 8.534 1.00 0.00 C ATOM 35 CG MET A 3 -0.282 8.690 8.490 1.00 0.00 C ATOM 36 SD MET A 3 -0.900 9.408 6.956 1.00 0.00 S ATOM 37 CE MET A 3 0.424 8.986 5.826 1.00 0.00 C ATOM 0 H MET A 3 2.067 6.065 9.180 1.00 0.00 H new ATOM 0 HA MET A 3 -0.301 7.026 10.668 1.00 0.00 H new ATOM 0 HB2 MET A 3 0.061 6.746 7.666 1.00 0.00 H new ATOM 0 HB3 MET A 3 -1.497 6.930 8.447 1.00 0.00 H new ATOM 0 HG2 MET A 3 -0.814 9.131 9.333 1.00 0.00 H new ATOM 0 HG3 MET A 3 0.771 8.946 8.608 1.00 0.00 H new ATOM 0 HE1 MET A 3 0.942 9.894 5.517 1.00 0.00 H new ATOM 0 HE2 MET A 3 1.128 8.318 6.323 1.00 0.00 H new ATOM 0 HE3 MET A 3 0.009 8.489 4.949 1.00 0.00 H new ATOM 47 N ASN A 4 -1.508 4.800 10.330 1.00 0.00 N ATOM 48 CA ASN A 4 -2.027 3.438 10.422 1.00 0.00 C ATOM 49 C ASN A 4 -3.100 3.193 9.367 1.00 0.00 C ATOM 50 O ASN A 4 -3.861 4.094 9.018 1.00 0.00 O ATOM 51 CB ASN A 4 -2.571 3.142 11.808 1.00 0.00 C ATOM 52 CG ASN A 4 -1.519 3.123 12.881 1.00 0.00 C ATOM 53 OD1 ASN A 4 -0.346 2.830 12.623 1.00 0.00 O ATOM 54 ND2 ASN A 4 -1.946 3.354 14.096 1.00 0.00 N ATOM 0 H ASN A 4 -2.153 5.520 10.657 1.00 0.00 H new ATOM 0 HA ASN A 4 -1.195 2.759 10.236 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.321 3.891 12.061 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.077 2.177 11.791 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.300 3.296 14.883 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.925 3.592 14.256 1.00 0.00 H new ATOM 61 N GLY A 5 -3.155 1.964 8.861 1.00 0.00 N ATOM 62 CA GLY A 5 -4.091 1.638 7.801 1.00 0.00 C ATOM 63 C GLY A 5 -4.350 0.149 7.694 1.00 0.00 C ATOM 64 O GLY A 5 -3.979 -0.620 8.581 1.00 0.00 O ATOM 0 H GLY A 5 -2.567 1.188 9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.033 2.156 7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.702 2.005 6.851 1.00 0.00 H new ATOM 68 N THR A 6 -4.992 -0.262 6.605 1.00 0.00 N ATOM 69 CA THR A 6 -5.241 -1.675 6.351 1.00 0.00 C ATOM 70 C THR A 6 -5.212 -1.979 4.857 1.00 0.00 C ATOM 71 O THR A 6 -5.760 -1.228 4.051 1.00 0.00 O ATOM 72 CB THR A 6 -6.595 -2.123 6.930 1.00 0.00 C ATOM 73 OG1 THR A 6 -6.792 -3.519 6.670 1.00 0.00 O ATOM 74 CG2 THR A 6 -7.732 -1.330 6.304 1.00 0.00 C ATOM 0 H THR A 6 -5.349 0.365 5.884 1.00 0.00 H new ATOM 0 HA THR A 6 -4.444 -2.229 6.847 1.00 0.00 H new ATOM 0 HB THR A 6 -6.589 -1.944 8.005 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.099 -4.038 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.681 -1.661 6.726 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.593 -0.269 6.511 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.738 -1.491 5.226 1.00 0.00 H new ATOM 82 N ILE A 7 -4.568 -3.085 4.497 1.00 0.00 N ATOM 83 CA ILE A 7 -4.570 -3.553 3.116 1.00 0.00 C ATOM 84 C ILE A 7 -5.832 -4.353 2.809 1.00 0.00 C ATOM 85 O ILE A 7 -6.158 -5.314 3.507 1.00 0.00 O ATOM 86 CB ILE A 7 -3.337 -4.422 2.812 1.00 0.00 C ATOM 87 CG1 ILE A 7 -2.054 -3.601 2.972 1.00 0.00 C ATOM 88 CG2 ILE A 7 -3.428 -5.004 1.410 1.00 0.00 C ATOM 89 CD1 ILE A 7 -0.787 -4.410 2.812 1.00 0.00 C ATOM 0 H ILE A 7 -4.039 -3.673 5.141 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.542 -2.666 2.483 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.310 -5.247 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.055 -2.796 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.053 -3.134 3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.548 -5.616 1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.324 -5.620 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.478 -4.194 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.078 -3.760 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.762 -5.199 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.763 -4.856 1.818 1.00 0.00 H new ATOM 101 N THR A 8 -6.540 -3.951 1.757 1.00 0.00 N ATOM 102 CA THR A 8 -7.872 -4.474 1.487 1.00 0.00 C ATOM 103 C THR A 8 -7.812 -5.683 0.560 1.00 0.00 C ATOM 104 O THR A 8 -8.660 -6.573 0.626 1.00 0.00 O ATOM 105 CB THR A 8 -8.783 -3.402 0.860 1.00 0.00 C ATOM 106 OG1 THR A 8 -8.235 -2.980 -0.395 1.00 0.00 O ATOM 107 CG2 THR A 8 -8.907 -2.200 1.785 1.00 0.00 C ATOM 0 H THR A 8 -6.211 -3.264 1.078 1.00 0.00 H new ATOM 0 HA THR A 8 -8.291 -4.777 2.446 1.00 0.00 H new ATOM 0 HB THR A 8 -9.772 -3.833 0.706 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.816 -2.299 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.554 -1.453 1.326 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.335 -2.516 2.736 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.920 -1.769 1.956 1.00 0.00 H new ATOM 115 N THR A 9 -6.804 -5.708 -0.307 1.00 0.00 N ATOM 116 CA THR A 9 -6.613 -6.824 -1.225 1.00 0.00 C ATOM 117 C THR A 9 -5.178 -6.874 -1.738 1.00 0.00 C ATOM 118 O THR A 9 -4.529 -5.840 -1.896 1.00 0.00 O ATOM 119 CB THR A 9 -7.575 -6.738 -2.424 1.00 0.00 C ATOM 120 OG1 THR A 9 -7.413 -7.895 -3.254 1.00 0.00 O ATOM 121 CG2 THR A 9 -7.295 -5.487 -3.244 1.00 0.00 C ATOM 0 H THR A 9 -6.107 -4.968 -0.392 1.00 0.00 H new ATOM 0 HA THR A 9 -6.827 -7.734 -0.665 1.00 0.00 H new ATOM 0 HB THR A 9 -8.597 -6.692 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.282 -7.615 -4.184 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.984 -5.443 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.430 -4.604 -2.619 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.270 -5.516 -3.614 1.00 0.00 H new ATOM 129 N TRP A 10 -4.691 -8.082 -1.996 1.00 0.00 N ATOM 130 CA TRP A 10 -3.356 -8.263 -2.556 1.00 0.00 C ATOM 131 C TRP A 10 -3.350 -9.370 -3.605 1.00 0.00 C ATOM 132 O TRP A 10 -3.768 -10.496 -3.336 1.00 0.00 O ATOM 133 CB TRP A 10 -2.350 -8.583 -1.449 1.00 0.00 C ATOM 134 CG TRP A 10 -2.745 -9.756 -0.602 1.00 0.00 C ATOM 135 CD1 TRP A 10 -2.471 -11.067 -0.849 1.00 0.00 C ATOM 136 CD2 TRP A 10 -3.482 -9.722 0.625 1.00 0.00 C ATOM 137 NE1 TRP A 10 -2.992 -11.856 0.147 1.00 0.00 N ATOM 138 CE2 TRP A 10 -3.618 -11.051 1.066 1.00 0.00 C ATOM 139 CE3 TRP A 10 -4.040 -8.695 1.395 1.00 0.00 C ATOM 140 CZ2 TRP A 10 -4.286 -11.381 2.235 1.00 0.00 C ATOM 141 CZ3 TRP A 10 -4.710 -9.026 2.568 1.00 0.00 C ATOM 142 CH2 TRP A 10 -4.828 -10.331 2.976 1.00 0.00 C ATOM 0 H TRP A 10 -5.199 -8.950 -1.827 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.064 -7.330 -3.039 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.377 -8.781 -1.899 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.233 -7.707 -0.811 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -1.923 -11.433 -1.705 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -2.925 -12.873 0.196 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.952 -7.664 1.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.383 -12.407 2.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.146 -8.241 3.169 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -5.354 -10.550 3.894 1.00 0.00 H new ATOM 153 N PHE A 11 -2.875 -9.043 -4.802 1.00 0.00 N ATOM 154 CA PHE A 11 -2.888 -9.987 -5.913 1.00 0.00 C ATOM 155 C PHE A 11 -1.474 -10.459 -6.241 1.00 0.00 C ATOM 156 O PHE A 11 -0.703 -9.748 -6.887 1.00 0.00 O ATOM 157 CB PHE A 11 -3.534 -9.354 -7.147 1.00 0.00 C ATOM 158 CG PHE A 11 -4.941 -8.880 -6.919 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.015 -9.744 -7.084 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.195 -7.571 -6.539 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.309 -9.310 -6.875 1.00 0.00 C ATOM 162 CE2 PHE A 11 -6.489 -7.134 -6.329 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.547 -8.004 -6.497 1.00 0.00 C ATOM 0 H PHE A 11 -2.476 -8.132 -5.027 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.479 -10.853 -5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.925 -8.511 -7.472 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.532 -10.081 -7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.836 -10.767 -7.379 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.372 -6.885 -6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.135 -9.993 -7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.672 -6.112 -6.033 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.559 -7.664 -6.333 1.00 0.00 H new ATOM 173 N LYS A 12 -1.140 -11.663 -5.792 1.00 0.00 N ATOM 174 CA LYS A 12 0.195 -12.213 -5.993 1.00 0.00 C ATOM 175 C LYS A 12 0.485 -12.408 -7.476 1.00 0.00 C ATOM 176 O LYS A 12 1.617 -12.224 -7.927 1.00 0.00 O ATOM 177 CB LYS A 12 0.349 -13.538 -5.245 1.00 0.00 C ATOM 178 CG LYS A 12 0.389 -13.405 -3.729 1.00 0.00 C ATOM 179 CD LYS A 12 0.554 -14.760 -3.057 1.00 0.00 C ATOM 180 CE LYS A 12 0.573 -14.629 -1.541 1.00 0.00 C ATOM 181 NZ LYS A 12 0.720 -15.950 -0.870 1.00 0.00 N ATOM 0 H LYS A 12 -1.777 -12.278 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 12 0.916 -11.500 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.478 -14.193 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.265 -14.025 -5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.213 -12.752 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.529 -12.933 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.262 -15.418 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.480 -15.225 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.395 -13.978 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.349 -14.153 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.728 -15.816 0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.077 -16.564 -1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.612 -16.394 -1.169 1.00 0.00 H new ATOM 195 N ASP A 13 -0.541 -12.782 -8.231 1.00 0.00 N ATOM 196 CA ASP A 13 -0.383 -13.067 -9.652 1.00 0.00 C ATOM 197 C ASP A 13 -0.059 -11.793 -10.428 1.00 0.00 C ATOM 198 O ASP A 13 0.640 -11.832 -11.441 1.00 0.00 O ATOM 199 CB ASP A 13 -1.646 -13.721 -10.215 1.00 0.00 C ATOM 200 CG ASP A 13 -1.850 -15.169 -9.785 1.00 0.00 C ATOM 201 OD1 ASP A 13 -0.927 -15.747 -9.262 1.00 0.00 O ATOM 202 OD2 ASP A 13 -2.964 -15.632 -9.840 1.00 0.00 O ATOM 0 H ASP A 13 -1.493 -12.895 -7.882 1.00 0.00 H new ATOM 0 HA ASP A 13 0.449 -13.762 -9.765 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.512 -13.137 -9.904 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.608 -13.680 -11.304 1.00 0.00 H new ATOM 207 N LYS A 14 -0.573 -10.666 -9.947 1.00 0.00 N ATOM 208 CA LYS A 14 -0.392 -9.390 -10.629 1.00 0.00 C ATOM 209 C LYS A 14 0.715 -8.573 -9.970 1.00 0.00 C ATOM 210 O LYS A 14 1.259 -7.650 -10.573 1.00 0.00 O ATOM 211 CB LYS A 14 -1.701 -8.597 -10.637 1.00 0.00 C ATOM 212 CG LYS A 14 -2.880 -9.335 -11.255 1.00 0.00 C ATOM 213 CD LYS A 14 -2.635 -9.637 -12.726 1.00 0.00 C ATOM 214 CE LYS A 14 -3.831 -10.336 -13.355 1.00 0.00 C ATOM 215 NZ LYS A 14 -3.592 -10.668 -14.786 1.00 0.00 N ATOM 0 H LYS A 14 -1.119 -10.610 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.100 -9.596 -11.659 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.954 -8.327 -9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.544 -7.666 -11.182 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.053 -10.266 -10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.783 -8.734 -11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.431 -8.709 -13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.750 -10.265 -12.828 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.049 -11.250 -12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.710 -9.696 -13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.431 -11.143 -15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.409 -9.794 -15.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.769 -11.299 -14.863 1.00 0.00 H new ATOM 229 N GLY A 15 1.045 -8.923 -8.731 1.00 0.00 N ATOM 230 CA GLY A 15 2.047 -8.177 -7.991 1.00 0.00 C ATOM 231 C GLY A 15 1.540 -6.824 -7.533 1.00 0.00 C ATOM 232 O GLY A 15 2.325 -5.964 -7.132 1.00 0.00 O ATOM 0 H GLY A 15 0.637 -9.710 -8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.360 -8.757 -7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.929 -8.039 -8.617 1.00 0.00 H new ATOM 236 N PHE A 16 0.227 -6.635 -7.590 1.00 0.00 N ATOM 237 CA PHE A 16 -0.383 -5.379 -7.172 1.00 0.00 C ATOM 238 C PHE A 16 -1.226 -5.576 -5.916 1.00 0.00 C ATOM 239 O PHE A 16 -1.699 -6.677 -5.638 1.00 0.00 O ATOM 240 CB PHE A 16 -1.240 -4.798 -8.299 1.00 0.00 C ATOM 241 CG PHE A 16 -0.442 -4.185 -9.413 1.00 0.00 C ATOM 242 CD1 PHE A 16 0.096 -2.913 -9.282 1.00 0.00 C ATOM 243 CD2 PHE A 16 -0.226 -4.878 -10.595 1.00 0.00 C ATOM 244 CE1 PHE A 16 0.830 -2.346 -10.306 1.00 0.00 C ATOM 245 CE2 PHE A 16 0.509 -4.314 -11.621 1.00 0.00 C ATOM 246 CZ PHE A 16 1.037 -3.049 -11.477 1.00 0.00 C ATOM 0 H PHE A 16 -0.436 -7.336 -7.922 1.00 0.00 H new ATOM 0 HA PHE A 16 0.417 -4.675 -6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.870 -5.588 -8.708 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.906 -4.042 -7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.061 -2.359 -8.368 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.637 -5.870 -10.715 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.242 -1.354 -10.191 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.670 -4.865 -12.536 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.612 -2.608 -12.278 1.00 0.00 H new ATOM 256 N GLY A 17 -1.411 -4.498 -5.159 1.00 0.00 N ATOM 257 CA GLY A 17 -2.343 -4.523 -4.047 1.00 0.00 C ATOM 258 C GLY A 17 -2.957 -3.164 -3.775 1.00 0.00 C ATOM 259 O GLY A 17 -2.507 -2.152 -4.314 1.00 0.00 O ATOM 0 H GLY A 17 -0.932 -3.608 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.136 -5.241 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.827 -4.871 -3.152 1.00 0.00 H new ATOM 263 N PHE A 18 -3.987 -3.139 -2.935 1.00 0.00 N ATOM 264 CA PHE A 18 -4.679 -1.897 -2.611 1.00 0.00 C ATOM 265 C PHE A 18 -4.809 -1.726 -1.100 1.00 0.00 C ATOM 266 O PHE A 18 -5.073 -2.687 -0.376 1.00 0.00 O ATOM 267 CB PHE A 18 -6.060 -1.864 -3.267 1.00 0.00 C ATOM 268 CG PHE A 18 -6.017 -1.800 -4.768 1.00 0.00 C ATOM 269 CD1 PHE A 18 -5.937 -2.960 -5.524 1.00 0.00 C ATOM 270 CD2 PHE A 18 -6.055 -0.580 -5.426 1.00 0.00 C ATOM 271 CE1 PHE A 18 -5.897 -2.901 -6.905 1.00 0.00 C ATOM 272 CE2 PHE A 18 -6.015 -0.519 -6.805 1.00 0.00 C ATOM 273 CZ PHE A 18 -5.937 -1.681 -7.545 1.00 0.00 C ATOM 0 H PHE A 18 -4.361 -3.965 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.087 -1.069 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.616 -2.752 -2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.610 -1.001 -2.891 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.906 -3.919 -5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.117 0.333 -4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.834 -3.812 -7.482 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.045 0.438 -7.304 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.907 -1.635 -8.624 1.00 0.00 H new ATOM 283 N ILE A 19 -4.621 -0.496 -0.631 1.00 0.00 N ATOM 284 CA ILE A 19 -4.556 -0.227 0.800 1.00 0.00 C ATOM 285 C ILE A 19 -5.400 0.989 1.168 1.00 0.00 C ATOM 286 O ILE A 19 -5.415 1.988 0.449 1.00 0.00 O ATOM 287 CB ILE A 19 -3.107 0.003 1.266 1.00 0.00 C ATOM 288 CG1 ILE A 19 -3.055 0.156 2.788 1.00 0.00 C ATOM 289 CG2 ILE A 19 -2.516 1.227 0.583 1.00 0.00 C ATOM 290 CD1 ILE A 19 -1.661 0.060 3.365 1.00 0.00 C ATOM 0 H ILE A 19 -4.511 0.329 -1.221 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.953 -1.107 1.306 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.510 -0.865 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.486 1.119 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.680 -0.613 3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.491 1.375 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.521 1.079 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.111 2.105 0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.706 0.178 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.234 -0.913 3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.036 0.846 2.940 1.00 0.00 H new ATOM 302 N LYS A 20 -6.100 0.898 2.294 1.00 0.00 N ATOM 303 CA LYS A 20 -6.917 2.003 2.779 1.00 0.00 C ATOM 304 C LYS A 20 -6.138 2.861 3.770 1.00 0.00 C ATOM 305 O LYS A 20 -5.620 2.359 4.768 1.00 0.00 O ATOM 306 CB LYS A 20 -8.199 1.479 3.426 1.00 0.00 C ATOM 307 CG LYS A 20 -9.161 2.567 3.888 1.00 0.00 C ATOM 308 CD LYS A 20 -10.406 1.969 4.526 1.00 0.00 C ATOM 309 CE LYS A 20 -11.367 3.056 4.987 1.00 0.00 C ATOM 310 NZ LYS A 20 -12.599 2.486 5.598 1.00 0.00 N ATOM 0 H LYS A 20 -6.117 0.069 2.888 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.186 2.624 1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.714 0.834 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.932 0.859 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.660 3.218 4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.447 3.187 3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.907 1.317 3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.120 1.349 5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.867 3.699 5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.640 3.683 4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.227 3.259 5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.090 1.892 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.342 1.908 6.423 1.00 0.00 H new ATOM 324 N ASP A 21 -6.060 4.158 3.490 1.00 0.00 N ATOM 325 CA ASP A 21 -5.256 5.068 4.298 1.00 0.00 C ATOM 326 C ASP A 21 -5.994 5.460 5.574 1.00 0.00 C ATOM 327 O ASP A 21 -7.215 5.333 5.660 1.00 0.00 O ATOM 328 CB ASP A 21 -4.888 6.318 3.496 1.00 0.00 C ATOM 329 CG ASP A 21 -4.068 6.043 2.243 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.089 5.341 2.339 1.00 0.00 O ATOM 331 OD2 ASP A 21 -4.510 6.403 1.178 1.00 0.00 O ATOM 0 H ASP A 21 -6.544 4.602 2.710 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.339 4.549 4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.804 6.834 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.328 6.996 4.140 1.00 0.00 H new ATOM 336 N GLU A 22 -5.244 5.933 6.564 1.00 0.00 N ATOM 337 CA GLU A 22 -5.837 6.582 7.728 1.00 0.00 C ATOM 338 C GLU A 22 -6.725 7.749 7.306 1.00 0.00 C ATOM 339 O GLU A 22 -7.624 8.156 8.041 1.00 0.00 O ATOM 340 CB GLU A 22 -4.747 7.065 8.686 1.00 0.00 C ATOM 341 CG GLU A 22 -5.234 7.348 10.101 1.00 0.00 C ATOM 342 CD GLU A 22 -4.083 7.460 11.063 1.00 0.00 C ATOM 343 OE1 GLU A 22 -2.969 7.236 10.655 1.00 0.00 O ATOM 344 OE2 GLU A 22 -4.304 7.878 12.175 1.00 0.00 O ATOM 0 H GLU A 22 -4.226 5.879 6.584 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.457 5.849 8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.959 6.313 8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.300 7.972 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.811 8.273 10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.904 6.551 10.423 1.00 0.00 H new ATOM 351 N ASN A 23 -6.463 8.284 6.118 1.00 0.00 N ATOM 352 CA ASN A 23 -7.254 9.389 5.588 1.00 0.00 C ATOM 353 C ASN A 23 -8.500 8.874 4.874 1.00 0.00 C ATOM 354 O ASN A 23 -9.385 9.648 4.511 1.00 0.00 O ATOM 355 CB ASN A 23 -6.436 10.262 4.653 1.00 0.00 C ATOM 356 CG ASN A 23 -5.373 11.065 5.349 1.00 0.00 C ATOM 357 OD1 ASN A 23 -5.477 11.363 6.545 1.00 0.00 O ATOM 358 ND2 ASN A 23 -4.394 11.485 4.591 1.00 0.00 N ATOM 0 H ASN A 23 -5.710 7.971 5.505 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.565 10.001 6.435 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.966 9.630 3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.106 10.942 4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.670 12.088 4.981 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.355 11.210 3.610 1.00 0.00 H new ATOM 365 N GLY A 24 -8.563 7.560 4.679 1.00 0.00 N ATOM 366 CA GLY A 24 -9.745 6.952 4.097 1.00 0.00 C ATOM 367 C GLY A 24 -9.644 6.809 2.592 1.00 0.00 C ATOM 368 O GLY A 24 -10.593 6.376 1.938 1.00 0.00 O ATOM 0 H GLY A 24 -7.816 6.906 4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.901 5.969 4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.619 7.556 4.343 1.00 0.00 H new ATOM 372 N ASP A 25 -8.492 7.177 2.041 1.00 0.00 N ATOM 373 CA ASP A 25 -8.268 7.077 0.603 1.00 0.00 C ATOM 374 C ASP A 25 -7.823 5.670 0.219 1.00 0.00 C ATOM 375 O ASP A 25 -7.184 4.973 1.005 1.00 0.00 O ATOM 376 CB ASP A 25 -7.226 8.104 0.150 1.00 0.00 C ATOM 377 CG ASP A 25 -7.714 9.545 0.169 1.00 0.00 C ATOM 378 OD1 ASP A 25 -8.895 9.751 0.324 1.00 0.00 O ATOM 379 OD2 ASP A 25 -6.891 10.429 0.188 1.00 0.00 O ATOM 0 H ASP A 25 -7.700 7.547 2.567 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.211 7.288 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.349 8.022 0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.904 7.855 -0.861 1.00 0.00 H new ATOM 384 N ASN A 26 -8.169 5.258 -0.997 1.00 0.00 N ATOM 385 CA ASN A 26 -7.724 3.972 -1.523 1.00 0.00 C ATOM 386 C ASN A 26 -6.540 4.151 -2.469 1.00 0.00 C ATOM 387 O ASN A 26 -6.667 4.767 -3.528 1.00 0.00 O ATOM 388 CB ASN A 26 -8.852 3.237 -2.224 1.00 0.00 C ATOM 389 CG ASN A 26 -9.972 2.830 -1.306 1.00 0.00 C ATOM 390 OD1 ASN A 26 -9.793 2.003 -0.405 1.00 0.00 O ATOM 391 ND2 ASN A 26 -11.142 3.345 -1.582 1.00 0.00 N ATOM 0 H ASN A 26 -8.755 5.795 -1.636 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.404 3.367 -0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -9.254 3.874 -3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.449 2.347 -2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -11.962 3.067 -1.042 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -11.235 4.025 -2.337 1.00 0.00 H new ATOM 398 N ARG A 27 -5.391 3.610 -2.079 1.00 0.00 N ATOM 399 CA ARG A 27 -4.173 3.753 -2.866 1.00 0.00 C ATOM 400 C ARG A 27 -3.634 2.388 -3.287 1.00 0.00 C ATOM 401 O ARG A 27 -3.737 1.413 -2.544 1.00 0.00 O ATOM 402 CB ARG A 27 -3.115 4.575 -2.145 1.00 0.00 C ATOM 403 CG ARG A 27 -3.389 6.071 -2.097 1.00 0.00 C ATOM 404 CD ARG A 27 -2.369 6.857 -1.358 1.00 0.00 C ATOM 405 NE ARG A 27 -2.344 8.273 -1.689 1.00 0.00 N ATOM 406 CZ ARG A 27 -3.089 9.214 -1.078 1.00 0.00 C ATOM 407 NH1 ARG A 27 -3.945 8.894 -0.133 1.00 0.00 N ATOM 408 NH2 ARG A 27 -2.954 10.469 -1.471 1.00 0.00 N ATOM 0 H ARG A 27 -5.278 3.068 -1.222 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.433 4.306 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.021 4.205 -1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.154 4.412 -2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.453 6.449 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.362 6.235 -1.634 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.550 6.750 -0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.385 6.432 -1.559 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.718 8.574 -2.436 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.053 7.920 0.148 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.501 9.620 0.319 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.299 10.702 -2.218 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.504 11.204 -1.028 1.00 0.00 H new ATOM 422 N TYR A 28 -3.060 2.329 -4.484 1.00 0.00 N ATOM 423 CA TYR A 28 -2.560 1.072 -5.029 1.00 0.00 C ATOM 424 C TYR A 28 -1.034 1.037 -5.002 1.00 0.00 C ATOM 425 O TYR A 28 -0.376 2.075 -5.062 1.00 0.00 O ATOM 426 CB TYR A 28 -3.060 0.879 -6.462 1.00 0.00 C ATOM 427 CG TYR A 28 -2.371 1.771 -7.470 1.00 0.00 C ATOM 428 CD1 TYR A 28 -1.213 1.358 -8.114 1.00 0.00 C ATOM 429 CD2 TYR A 28 -2.880 3.027 -7.777 1.00 0.00 C ATOM 430 CE1 TYR A 28 -0.579 2.169 -9.036 1.00 0.00 C ATOM 431 CE2 TYR A 28 -2.254 3.844 -8.698 1.00 0.00 C ATOM 432 CZ TYR A 28 -1.104 3.413 -9.324 1.00 0.00 C ATOM 433 OH TYR A 28 -0.477 4.223 -10.243 1.00 0.00 O ATOM 0 H TYR A 28 -2.930 3.136 -5.094 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.936 0.259 -4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.915 -0.162 -6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.132 1.071 -6.493 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.800 0.385 -7.891 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.780 3.370 -7.288 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.321 1.832 -9.528 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.664 4.817 -8.927 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.083 4.945 -10.510 1.00 0.00 H new ATOM 443 N PHE A 29 -0.480 -0.168 -4.912 1.00 0.00 N ATOM 444 CA PHE A 29 0.967 -0.341 -4.864 1.00 0.00 C ATOM 445 C PHE A 29 1.384 -1.636 -5.553 1.00 0.00 C ATOM 446 O PHE A 29 0.580 -2.555 -5.710 1.00 0.00 O ATOM 447 CB PHE A 29 1.461 -0.329 -3.416 1.00 0.00 C ATOM 448 CG PHE A 29 0.857 -1.408 -2.561 1.00 0.00 C ATOM 449 CD1 PHE A 29 1.452 -2.657 -2.472 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.308 -1.174 -1.847 1.00 0.00 C ATOM 451 CE1 PHE A 29 0.896 -3.649 -1.686 1.00 0.00 C ATOM 452 CE2 PHE A 29 -0.865 -2.164 -1.059 1.00 0.00 C ATOM 453 CZ PHE A 29 -0.262 -3.403 -0.981 1.00 0.00 C ATOM 0 H PHE A 29 -1.011 -1.038 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 29 1.424 0.493 -5.397 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.545 -0.438 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.236 0.641 -2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.359 -2.857 -3.022 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.786 -0.207 -1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.370 -4.618 -1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.771 -1.968 -0.505 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.697 -4.179 -0.368 1.00 0.00 H new ATOM 463 N HIS A 30 2.646 -1.701 -5.966 1.00 0.00 N ATOM 464 CA HIS A 30 3.223 -2.943 -6.467 1.00 0.00 C ATOM 465 C HIS A 30 4.270 -3.486 -5.499 1.00 0.00 C ATOM 466 O HIS A 30 4.962 -2.723 -4.826 1.00 0.00 O ATOM 467 CB HIS A 30 3.845 -2.733 -7.851 1.00 0.00 C ATOM 468 CG HIS A 30 4.228 -4.007 -8.540 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.368 -4.712 -8.218 1.00 0.00 N ATOM 470 CD2 HIS A 30 3.621 -4.701 -9.531 1.00 0.00 C ATOM 471 CE1 HIS A 30 5.447 -5.787 -8.983 1.00 0.00 C ATOM 472 NE2 HIS A 30 4.400 -5.803 -9.787 1.00 0.00 N ATOM 0 H HIS A 30 3.288 -0.908 -5.964 1.00 0.00 H new ATOM 0 HA HIS A 30 2.419 -3.674 -6.553 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.138 -2.190 -8.478 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.730 -2.105 -7.750 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.698 -4.438 -10.027 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.234 -6.526 -8.955 1.00 0.00 H new ATOM 0 HE2 HIS A 30 4.201 -6.519 -10.486 1.00 0.00 H new ATOM 479 N VAL A 31 4.379 -4.809 -5.433 1.00 0.00 N ATOM 480 CA VAL A 31 5.326 -5.455 -4.534 1.00 0.00 C ATOM 481 C VAL A 31 6.727 -4.874 -4.702 1.00 0.00 C ATOM 482 O VAL A 31 7.446 -4.666 -3.724 1.00 0.00 O ATOM 483 CB VAL A 31 5.381 -6.976 -4.766 1.00 0.00 C ATOM 484 CG1 VAL A 31 6.529 -7.595 -3.981 1.00 0.00 C ATOM 485 CG2 VAL A 31 4.061 -7.622 -4.375 1.00 0.00 C ATOM 0 H VAL A 31 3.822 -5.455 -5.993 1.00 0.00 H new ATOM 0 HA VAL A 31 4.975 -5.266 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 31 5.553 -7.156 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.552 -8.670 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.471 -7.154 -4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.387 -7.405 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.117 -8.697 -4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.861 -7.432 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.257 -7.201 -4.978 1.00 0.00 H new ATOM 495 N ILE A 32 7.106 -4.613 -5.949 1.00 0.00 N ATOM 496 CA ILE A 32 8.406 -4.021 -6.242 1.00 0.00 C ATOM 497 C ILE A 32 8.473 -2.577 -5.755 1.00 0.00 C ATOM 498 O ILE A 32 9.547 -2.071 -5.424 1.00 0.00 O ATOM 499 CB ILE A 32 8.718 -4.061 -7.749 1.00 0.00 C ATOM 500 CG1 ILE A 32 8.962 -5.502 -8.205 1.00 0.00 C ATOM 501 CG2 ILE A 32 9.924 -3.189 -8.066 1.00 0.00 C ATOM 502 CD1 ILE A 32 9.033 -5.664 -9.706 1.00 0.00 C ATOM 0 H ILE A 32 6.533 -4.802 -6.771 1.00 0.00 H new ATOM 0 HA ILE A 32 9.151 -4.615 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 32 7.858 -3.668 -8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.894 -5.859 -7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.164 -6.136 -7.818 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.131 -3.229 -9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.715 -2.160 -7.775 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.791 -3.553 -7.515 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.208 -6.712 -9.951 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.093 -5.339 -10.152 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.850 -5.058 -10.099 1.00 0.00 H new ATOM 514 N LYS A 33 7.320 -1.919 -5.712 1.00 0.00 N ATOM 515 CA LYS A 33 7.258 -0.510 -5.341 1.00 0.00 C ATOM 516 C LYS A 33 7.203 -0.346 -3.826 1.00 0.00 C ATOM 517 O LYS A 33 7.118 0.769 -3.314 1.00 0.00 O ATOM 518 CB LYS A 33 6.045 0.161 -5.989 1.00 0.00 C ATOM 519 CG LYS A 33 6.093 0.211 -7.511 1.00 0.00 C ATOM 520 CD LYS A 33 4.773 0.701 -8.090 1.00 0.00 C ATOM 521 CE LYS A 33 4.814 0.736 -9.610 1.00 0.00 C ATOM 522 NZ LYS A 33 5.673 1.838 -10.119 1.00 0.00 N ATOM 0 H LYS A 33 6.416 -2.338 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 33 8.164 -0.026 -5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.144 -0.371 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.960 1.178 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.900 0.871 -7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.319 -0.781 -7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.965 0.048 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.553 1.698 -7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.187 -0.217 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.802 0.857 -9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.620 1.869 -11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.343 2.744 -9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.658 1.673 -9.828 1.00 0.00 H new ATOM 536 N VAL A 34 7.254 -1.467 -3.113 1.00 0.00 N ATOM 537 CA VAL A 34 7.195 -1.450 -1.655 1.00 0.00 C ATOM 538 C VAL A 34 8.552 -1.782 -1.046 1.00 0.00 C ATOM 539 O VAL A 34 9.227 -2.714 -1.481 1.00 0.00 O ATOM 540 CB VAL A 34 6.147 -2.446 -1.126 1.00 0.00 C ATOM 541 CG1 VAL A 34 6.156 -2.472 0.395 1.00 0.00 C ATOM 542 CG2 VAL A 34 4.764 -2.096 -1.653 1.00 0.00 C ATOM 0 H VAL A 34 7.336 -2.398 -3.521 1.00 0.00 H new ATOM 0 HA VAL A 34 6.907 -0.441 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 34 6.405 -3.442 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.409 -3.181 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.142 -2.775 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.924 -1.478 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.036 -2.811 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.494 -1.092 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.769 -2.134 -2.742 1.00 0.00 H new ATOM 552 N ALA A 35 8.943 -1.015 -0.035 1.00 0.00 N ATOM 553 CA ALA A 35 10.247 -1.188 0.595 1.00 0.00 C ATOM 554 C ALA A 35 10.310 -2.498 1.373 1.00 0.00 C ATOM 555 O ALA A 35 11.310 -3.213 1.324 1.00 0.00 O ATOM 556 CB ALA A 35 10.550 -0.012 1.511 1.00 0.00 C ATOM 0 H ALA A 35 8.376 -0.268 0.366 1.00 0.00 H new ATOM 0 HA ALA A 35 11.002 -1.226 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.526 -0.154 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.555 0.910 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.786 0.052 2.286 1.00 0.00 H new ATOM 562 N ASN A 36 9.236 -2.806 2.093 1.00 0.00 N ATOM 563 CA ASN A 36 9.126 -4.078 2.797 1.00 0.00 C ATOM 564 C ASN A 36 8.755 -5.202 1.833 1.00 0.00 C ATOM 565 O ASN A 36 8.143 -4.980 0.788 1.00 0.00 O ATOM 566 CB ASN A 36 8.121 -4.002 3.931 1.00 0.00 C ATOM 567 CG ASN A 36 8.592 -3.185 5.103 1.00 0.00 C ATOM 568 OD1 ASN A 36 7.789 -2.682 5.897 1.00 0.00 O ATOM 569 ND2 ASN A 36 9.883 -2.984 5.168 1.00 0.00 N ATOM 0 H ASN A 36 8.429 -2.192 2.204 1.00 0.00 H new ATOM 0 HA ASN A 36 10.103 -4.297 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.191 -3.576 3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.894 -5.012 4.272 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.270 -2.388 5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.502 -3.423 4.487 1.00 0.00 H new ATOM 576 N PRO A 37 9.130 -6.438 2.192 1.00 0.00 N ATOM 577 CA PRO A 37 8.939 -7.607 1.328 1.00 0.00 C ATOM 578 C PRO A 37 7.472 -8.003 1.204 1.00 0.00 C ATOM 579 O PRO A 37 6.621 -7.503 1.939 1.00 0.00 O ATOM 580 CB PRO A 37 9.770 -8.703 2.003 1.00 0.00 C ATOM 581 CG PRO A 37 9.850 -8.283 3.431 1.00 0.00 C ATOM 582 CD PRO A 37 9.943 -6.780 3.401 1.00 0.00 C ATOM 0 HA PRO A 37 9.252 -7.415 0.302 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.296 -9.679 1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.761 -8.782 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.972 -8.611 3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.720 -8.721 3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.537 -6.329 4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.974 -6.437 3.309 1.00 0.00 H new ATOM 590 N ASP A 38 7.185 -8.902 0.270 1.00 0.00 N ATOM 591 CA ASP A 38 5.812 -9.321 0.010 1.00 0.00 C ATOM 592 C ASP A 38 5.274 -10.167 1.158 1.00 0.00 C ATOM 593 O ASP A 38 4.202 -10.764 1.056 1.00 0.00 O ATOM 594 CB ASP A 38 5.728 -10.101 -1.305 1.00 0.00 C ATOM 595 CG ASP A 38 6.407 -11.464 -1.273 1.00 0.00 C ATOM 596 OD1 ASP A 38 6.942 -11.815 -0.248 1.00 0.00 O ATOM 597 OD2 ASP A 38 6.251 -12.205 -2.214 1.00 0.00 O ATOM 0 H ASP A 38 7.883 -9.355 -0.320 1.00 0.00 H new ATOM 0 HA ASP A 38 5.197 -8.425 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.679 -10.238 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.178 -9.503 -2.097 1.00 0.00 H new ATOM 602 N LEU A 39 6.025 -10.216 2.254 1.00 0.00 N ATOM 603 CA LEU A 39 5.571 -10.891 3.464 1.00 0.00 C ATOM 604 C LEU A 39 4.658 -9.985 4.283 1.00 0.00 C ATOM 605 O LEU A 39 4.130 -10.392 5.319 1.00 0.00 O ATOM 606 CB LEU A 39 6.774 -11.341 4.304 1.00 0.00 C ATOM 607 CG LEU A 39 7.704 -12.352 3.623 1.00 0.00 C ATOM 608 CD1 LEU A 39 8.907 -12.635 4.512 1.00 0.00 C ATOM 609 CD2 LEU A 39 6.936 -13.634 3.332 1.00 0.00 C ATOM 0 H LEU A 39 6.951 -9.796 2.329 1.00 0.00 H new ATOM 0 HA LEU A 39 4.999 -11.771 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.357 -10.461 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.406 -11.778 5.232 1.00 0.00 H new ATOM 0 HG LEU A 39 8.065 -11.938 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.562 -13.354 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.454 -11.709 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.568 -13.045 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.597 -14.352 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.564 -14.055 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.096 -13.413 2.674 1.00 0.00 H new ATOM 621 N ILE A 40 4.475 -8.756 3.811 1.00 0.00 N ATOM 622 CA ILE A 40 3.632 -7.790 4.505 1.00 0.00 C ATOM 623 C ILE A 40 2.197 -7.846 3.995 1.00 0.00 C ATOM 624 O ILE A 40 1.397 -6.949 4.259 1.00 0.00 O ATOM 625 CB ILE A 40 4.169 -6.355 4.347 1.00 0.00 C ATOM 626 CG1 ILE A 40 4.049 -5.898 2.891 1.00 0.00 C ATOM 627 CG2 ILE A 40 5.613 -6.274 4.817 1.00 0.00 C ATOM 628 CD1 ILE A 40 4.290 -4.419 2.694 1.00 0.00 C ATOM 0 H ILE A 40 4.899 -8.406 2.952 1.00 0.00 H new ATOM 0 HA ILE A 40 3.649 -8.059 5.561 1.00 0.00 H new ATOM 0 HB ILE A 40 3.569 -5.689 4.967 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.762 -6.457 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.054 -6.147 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.977 -5.254 4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.670 -6.560 5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.228 -6.950 4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.188 -4.171 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.561 -3.851 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.296 -4.166 3.030 1.00 0.00 H new ATOM 640 N LYS A 41 1.875 -8.909 3.265 1.00 0.00 N ATOM 641 CA LYS A 41 0.547 -9.065 2.685 1.00 0.00 C ATOM 642 C LYS A 41 -0.445 -9.574 3.726 1.00 0.00 C ATOM 643 O LYS A 41 -0.514 -10.772 3.999 1.00 0.00 O ATOM 644 CB LYS A 41 0.591 -10.017 1.488 1.00 0.00 C ATOM 645 CG LYS A 41 0.987 -11.446 1.836 1.00 0.00 C ATOM 646 CD LYS A 41 -0.234 -12.297 2.152 1.00 0.00 C ATOM 647 CE LYS A 41 0.135 -13.500 3.006 1.00 0.00 C ATOM 648 NZ LYS A 41 1.200 -14.326 2.376 1.00 0.00 N ATOM 0 H LYS A 41 2.516 -9.675 3.061 1.00 0.00 H new ATOM 0 HA LYS A 41 0.213 -8.086 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.390 -10.030 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.295 -9.626 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.534 -11.887 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.661 -11.440 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.976 -11.692 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.694 -12.635 1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.472 -13.160 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.751 -14.114 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.083 -15.319 2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.130 -14.252 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.132 -13.985 2.685 1.00 0.00 H new ATOM 662 N LYS A 42 -1.213 -8.656 4.302 1.00 0.00 N ATOM 663 CA LYS A 42 -2.105 -8.987 5.408 1.00 0.00 C ATOM 664 C LYS A 42 -3.022 -7.814 5.739 1.00 0.00 C ATOM 665 O LYS A 42 -2.782 -6.687 5.306 1.00 0.00 O ATOM 666 CB LYS A 42 -1.301 -9.394 6.644 1.00 0.00 C ATOM 667 CG LYS A 42 -0.418 -8.290 7.211 1.00 0.00 C ATOM 668 CD LYS A 42 0.327 -8.760 8.451 1.00 0.00 C ATOM 669 CE LYS A 42 1.278 -7.689 8.966 1.00 0.00 C ATOM 670 NZ LYS A 42 2.070 -8.162 10.132 1.00 0.00 N ATOM 0 H LYS A 42 -1.236 -7.676 4.021 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.724 -9.830 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.992 -9.724 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.675 -10.249 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.298 -7.969 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.030 -7.423 7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.389 -9.019 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.887 -9.666 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.955 -7.390 8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.708 -6.804 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.705 -7.403 10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.426 -8.424 10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.634 -8.991 9.855 1.00 0.00 H new ATOM 684 N ASP A 43 -4.069 -8.087 6.510 1.00 0.00 N ATOM 685 CA ASP A 43 -5.025 -7.053 6.893 1.00 0.00 C ATOM 686 C ASP A 43 -4.434 -6.136 7.959 1.00 0.00 C ATOM 687 O ASP A 43 -4.765 -4.951 8.025 1.00 0.00 O ATOM 688 CB ASP A 43 -6.324 -7.685 7.398 1.00 0.00 C ATOM 689 CG ASP A 43 -7.184 -8.313 6.309 1.00 0.00 C ATOM 690 OD1 ASP A 43 -6.926 -8.060 5.156 1.00 0.00 O ATOM 691 OD2 ASP A 43 -7.987 -9.157 6.627 1.00 0.00 O ATOM 0 H ASP A 43 -4.278 -9.014 6.882 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.248 -6.454 6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.079 -8.449 8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.909 -6.922 7.911 1.00 0.00 H new ATOM 696 N ALA A 44 -3.561 -6.691 8.793 1.00 0.00 N ATOM 697 CA ALA A 44 -3.024 -5.961 9.934 1.00 0.00 C ATOM 698 C ALA A 44 -1.919 -5.003 9.503 1.00 0.00 C ATOM 699 O ALA A 44 -1.415 -4.219 10.307 1.00 0.00 O ATOM 700 CB ALA A 44 -2.505 -6.932 10.985 1.00 0.00 C ATOM 0 H ALA A 44 -3.211 -7.644 8.700 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.831 -5.370 10.368 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.107 -6.373 11.832 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.320 -7.572 11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.716 -7.548 10.553 1.00 0.00 H new ATOM 706 N ALA A 45 -1.543 -5.074 8.230 1.00 0.00 N ATOM 707 CA ALA A 45 -0.536 -4.177 7.680 1.00 0.00 C ATOM 708 C ALA A 45 -1.028 -2.733 7.681 1.00 0.00 C ATOM 709 O ALA A 45 -2.232 -2.477 7.660 1.00 0.00 O ATOM 710 CB ALA A 45 -0.160 -4.606 6.270 1.00 0.00 C ATOM 0 H ALA A 45 -1.921 -5.744 7.561 1.00 0.00 H new ATOM 0 HA ALA A 45 0.349 -4.233 8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.593 -3.926 5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.241 -5.619 6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.045 -4.580 5.634 1.00 0.00 H new ATOM 716 N VAL A 46 -0.090 -1.792 7.706 1.00 0.00 N ATOM 717 CA VAL A 46 -0.424 -0.382 7.856 1.00 0.00 C ATOM 718 C VAL A 46 0.051 0.428 6.656 1.00 0.00 C ATOM 719 O VAL A 46 0.754 -0.087 5.785 1.00 0.00 O ATOM 720 CB VAL A 46 0.190 0.211 9.138 1.00 0.00 C ATOM 721 CG1 VAL A 46 -0.324 -0.527 10.365 1.00 0.00 C ATOM 722 CG2 VAL A 46 1.709 0.150 9.080 1.00 0.00 C ATOM 0 H VAL A 46 0.909 -1.982 7.624 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.510 -0.323 7.923 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.111 1.256 9.211 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.120 -0.095 11.262 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.409 -0.435 10.417 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.052 -1.580 10.297 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.125 0.573 9.994 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.028 -0.888 8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.064 0.721 8.222 1.00 0.00 H new ATOM 732 N THR A 47 -0.335 1.698 6.614 1.00 0.00 N ATOM 733 CA THR A 47 -0.089 2.535 5.446 1.00 0.00 C ATOM 734 C THR A 47 1.121 3.436 5.662 1.00 0.00 C ATOM 735 O THR A 47 1.929 3.204 6.561 1.00 0.00 O ATOM 736 CB THR A 47 -1.312 3.405 5.106 1.00 0.00 C ATOM 737 OG1 THR A 47 -1.132 4.005 3.816 1.00 0.00 O ATOM 738 CG2 THR A 47 -1.495 4.499 6.148 1.00 0.00 C ATOM 0 H THR A 47 -0.820 2.171 7.376 1.00 0.00 H new ATOM 0 HA THR A 47 0.107 1.862 4.611 1.00 0.00 H new ATOM 0 HB THR A 47 -2.199 2.771 5.099 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.980 4.392 3.514 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.364 5.104 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.645 4.046 7.128 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.607 5.131 6.172 1.00 0.00 H new ATOM 746 N PHE A 48 1.241 4.468 4.832 1.00 0.00 N ATOM 747 CA PHE A 48 2.532 5.090 4.565 1.00 0.00 C ATOM 748 C PHE A 48 2.355 6.438 3.873 1.00 0.00 C ATOM 749 O PHE A 48 1.245 6.810 3.492 1.00 0.00 O ATOM 750 CB PHE A 48 3.404 4.168 3.709 1.00 0.00 C ATOM 751 CG PHE A 48 4.850 4.574 3.663 1.00 0.00 C ATOM 752 CD1 PHE A 48 5.667 4.411 4.772 1.00 0.00 C ATOM 753 CD2 PHE A 48 5.396 5.119 2.511 1.00 0.00 C ATOM 754 CE1 PHE A 48 6.997 4.784 4.731 1.00 0.00 C ATOM 755 CE2 PHE A 48 6.726 5.491 2.466 1.00 0.00 C ATOM 756 CZ PHE A 48 7.527 5.323 3.577 1.00 0.00 C ATOM 0 H PHE A 48 0.459 4.891 4.333 1.00 0.00 H new ATOM 0 HA PHE A 48 3.029 5.257 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.333 3.152 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.009 4.149 2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.259 3.988 5.678 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.774 5.254 1.638 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.622 4.654 5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.139 5.913 1.562 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.567 5.613 3.543 1.00 0.00 H new ATOM 766 N GLU A 49 3.455 7.167 3.718 1.00 0.00 N ATOM 767 CA GLU A 49 3.426 8.461 3.048 1.00 0.00 C ATOM 768 C GLU A 49 2.820 8.338 1.654 1.00 0.00 C ATOM 769 O GLU A 49 3.204 7.483 0.856 1.00 0.00 O ATOM 770 CB GLU A 49 4.834 9.054 2.961 1.00 0.00 C ATOM 771 CG GLU A 49 4.898 10.429 2.313 1.00 0.00 C ATOM 772 CD GLU A 49 6.307 10.956 2.286 1.00 0.00 C ATOM 773 OE1 GLU A 49 7.179 10.290 2.790 1.00 0.00 O ATOM 774 OE2 GLU A 49 6.530 11.968 1.664 1.00 0.00 O ATOM 0 H GLU A 49 4.378 6.883 4.047 1.00 0.00 H new ATOM 0 HA GLU A 49 2.800 9.131 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.250 9.120 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.469 8.370 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.509 10.373 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.259 11.122 2.861 1.00 0.00 H new ATOM 781 N PRO A 50 1.847 9.212 1.353 1.00 0.00 N ATOM 782 CA PRO A 50 1.055 9.121 0.122 1.00 0.00 C ATOM 783 C PRO A 50 1.825 9.607 -1.100 1.00 0.00 C ATOM 784 O PRO A 50 2.734 10.432 -0.988 1.00 0.00 O ATOM 785 CB PRO A 50 -0.139 10.037 0.402 1.00 0.00 C ATOM 786 CG PRO A 50 0.352 10.996 1.431 1.00 0.00 C ATOM 787 CD PRO A 50 1.304 10.220 2.298 1.00 0.00 C ATOM 0 HA PRO A 50 0.777 8.093 -0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.460 10.556 -0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.996 9.470 0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.852 11.846 0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.475 11.395 2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.089 10.855 2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.796 9.753 3.142 1.00 0.00 H new ATOM 795 N THR A 51 1.457 9.092 -2.270 1.00 0.00 N ATOM 796 CA THR A 51 2.028 9.563 -3.526 1.00 0.00 C ATOM 797 C THR A 51 0.949 9.738 -4.588 1.00 0.00 C ATOM 798 O THR A 51 -0.115 9.122 -4.515 1.00 0.00 O ATOM 799 CB THR A 51 3.105 8.598 -4.055 1.00 0.00 C ATOM 800 OG1 THR A 51 2.511 7.323 -4.336 1.00 0.00 O ATOM 801 CG2 THR A 51 4.213 8.421 -3.029 1.00 0.00 C ATOM 0 H THR A 51 0.766 8.349 -2.373 1.00 0.00 H new ATOM 0 HA THR A 51 2.491 10.528 -3.319 1.00 0.00 H new ATOM 0 HB THR A 51 3.531 9.017 -4.966 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.956 7.046 -3.577 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.965 7.736 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.675 9.386 -2.822 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.795 8.014 -2.109 1.00 0.00 H new ATOM 809 N THR A 52 1.230 10.579 -5.578 1.00 0.00 N ATOM 810 CA THR A 52 0.245 10.916 -6.597 1.00 0.00 C ATOM 811 C THR A 52 0.849 10.839 -7.994 1.00 0.00 C ATOM 812 O THR A 52 1.920 11.389 -8.249 1.00 0.00 O ATOM 813 CB THR A 52 -0.336 12.325 -6.378 1.00 0.00 C ATOM 814 OG1 THR A 52 -0.945 12.397 -5.081 1.00 0.00 O ATOM 815 CG2 THR A 52 -1.375 12.646 -7.441 1.00 0.00 C ATOM 0 H THR A 52 2.133 11.039 -5.695 1.00 0.00 H new ATOM 0 HA THR A 52 -0.558 10.184 -6.510 1.00 0.00 H new ATOM 0 HB THR A 52 0.474 13.051 -6.448 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.313 13.295 -4.942 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.774 13.646 -7.270 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.912 12.604 -8.427 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.185 11.918 -7.390 1.00 0.00 H new ATOM 823 N ASN A 53 0.156 10.153 -8.897 1.00 0.00 N ATOM 824 CA ASN A 53 0.557 10.112 -10.298 1.00 0.00 C ATOM 825 C ASN A 53 -0.641 10.345 -11.214 1.00 0.00 C ATOM 826 O ASN A 53 -1.758 10.559 -10.748 1.00 0.00 O ATOM 827 CB ASN A 53 1.238 8.799 -10.644 1.00 0.00 C ATOM 828 CG ASN A 53 0.372 7.591 -10.417 1.00 0.00 C ATOM 829 OD1 ASN A 53 -0.784 7.540 -10.851 1.00 0.00 O ATOM 830 ND2 ASN A 53 0.897 6.653 -9.670 1.00 0.00 N ATOM 0 H ASN A 53 -0.686 9.618 -8.683 1.00 0.00 H new ATOM 0 HA ASN A 53 1.276 10.916 -10.454 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.545 8.824 -11.690 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.145 8.702 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.346 5.832 -9.421 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.857 6.744 -9.337 1.00 0.00 H new ATOM 837 N ASN A 54 -0.398 10.299 -12.520 1.00 0.00 N ATOM 838 CA ASN A 54 -1.428 10.625 -13.501 1.00 0.00 C ATOM 839 C ASN A 54 -2.463 9.509 -13.593 1.00 0.00 C ATOM 840 O ASN A 54 -3.560 9.706 -14.117 1.00 0.00 O ATOM 841 CB ASN A 54 -0.828 10.903 -14.866 1.00 0.00 C ATOM 842 CG ASN A 54 -0.079 12.204 -14.945 1.00 0.00 C ATOM 843 OD1 ASN A 54 -0.290 13.115 -14.136 1.00 0.00 O ATOM 844 ND2 ASN A 54 0.734 12.327 -15.963 1.00 0.00 N ATOM 0 H ASN A 54 0.502 10.039 -12.924 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.925 11.534 -13.162 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.152 10.089 -15.128 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.625 10.908 -15.609 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.228 13.206 -16.118 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.873 11.544 -16.602 1.00 0.00 H new ATOM 851 N LYS A 55 -2.108 8.335 -13.081 1.00 0.00 N ATOM 852 CA LYS A 55 -2.986 7.172 -13.147 1.00 0.00 C ATOM 853 C LYS A 55 -3.846 7.068 -11.893 1.00 0.00 C ATOM 854 O LYS A 55 -4.747 6.232 -11.814 1.00 0.00 O ATOM 855 CB LYS A 55 -2.170 5.893 -13.337 1.00 0.00 C ATOM 856 CG LYS A 55 -1.394 5.829 -14.645 1.00 0.00 C ATOM 857 CD LYS A 55 -0.560 4.560 -14.733 1.00 0.00 C ATOM 858 CE LYS A 55 0.253 4.518 -16.018 1.00 0.00 C ATOM 859 NZ LYS A 55 1.078 3.283 -16.116 1.00 0.00 N ATOM 0 H LYS A 55 -1.217 8.164 -12.615 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.646 7.296 -14.006 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.469 5.798 -12.508 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.843 5.037 -13.286 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.088 5.869 -15.484 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.744 6.700 -14.727 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.110 4.503 -13.875 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.214 3.689 -14.686 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.419 4.574 -16.874 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.902 5.392 -16.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.616 3.295 -17.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.738 3.242 -15.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.457 2.449 -16.097 1.00 0.00 H new ATOM 873 N GLY A 56 -3.565 7.923 -10.914 1.00 0.00 N ATOM 874 CA GLY A 56 -4.343 7.930 -9.689 1.00 0.00 C ATOM 875 C GLY A 56 -3.472 8.011 -8.450 1.00 0.00 C ATOM 876 O GLY A 56 -2.258 8.191 -8.547 1.00 0.00 O ATOM 0 H GLY A 56 -2.812 8.611 -10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.029 8.777 -9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.952 7.027 -9.643 1.00 0.00 H new ATOM 880 N LEU A 57 -4.092 7.878 -7.283 1.00 0.00 N ATOM 881 CA LEU A 57 -3.362 7.911 -6.020 1.00 0.00 C ATOM 882 C LEU A 57 -2.697 6.566 -5.743 1.00 0.00 C ATOM 883 O LEU A 57 -3.287 5.512 -5.971 1.00 0.00 O ATOM 884 CB LEU A 57 -4.304 8.291 -4.871 1.00 0.00 C ATOM 885 CG LEU A 57 -4.974 9.665 -5.002 1.00 0.00 C ATOM 886 CD1 LEU A 57 -5.933 9.892 -3.843 1.00 0.00 C ATOM 887 CD2 LEU A 57 -3.908 10.749 -5.042 1.00 0.00 C ATOM 0 H LEU A 57 -5.099 7.746 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.580 8.667 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.082 7.531 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.741 8.267 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.547 9.703 -5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.403 10.870 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.701 9.118 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.383 9.851 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.385 11.725 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.322 10.717 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.252 10.583 -5.896 1.00 0.00 H new ATOM 899 N SER A 58 -1.465 6.614 -5.245 1.00 0.00 N ATOM 900 CA SER A 58 -0.635 5.419 -5.144 1.00 0.00 C ATOM 901 C SER A 58 0.231 5.464 -3.889 1.00 0.00 C ATOM 902 O SER A 58 0.282 6.477 -3.192 1.00 0.00 O ATOM 903 CB SER A 58 0.229 5.274 -6.382 1.00 0.00 C ATOM 904 OG SER A 58 1.147 6.326 -6.507 1.00 0.00 O ATOM 0 H SER A 58 -1.020 7.467 -4.906 1.00 0.00 H new ATOM 0 HA SER A 58 -1.290 4.551 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.767 4.327 -6.340 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.407 5.241 -7.266 1.00 0.00 H new ATOM 0 HG SER A 58 1.594 6.474 -5.648 1.00 0.00 H new ATOM 910 N ALA A 59 0.911 4.357 -3.608 1.00 0.00 N ATOM 911 CA ALA A 59 1.811 4.284 -2.463 1.00 0.00 C ATOM 912 C ALA A 59 3.156 3.686 -2.858 1.00 0.00 C ATOM 913 O ALA A 59 3.216 2.687 -3.576 1.00 0.00 O ATOM 914 CB ALA A 59 1.178 3.468 -1.345 1.00 0.00 C ATOM 0 H ALA A 59 0.856 3.499 -4.157 1.00 0.00 H new ATOM 0 HA ALA A 59 1.985 5.299 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.861 3.422 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.245 3.938 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.974 2.458 -1.702 1.00 0.00 H new ATOM 920 N TYR A 60 4.233 4.303 -2.389 1.00 0.00 N ATOM 921 CA TYR A 60 5.578 3.801 -2.649 1.00 0.00 C ATOM 922 C TYR A 60 6.350 3.606 -1.348 1.00 0.00 C ATOM 923 O TYR A 60 6.063 4.254 -0.342 1.00 0.00 O ATOM 924 CB TYR A 60 6.338 4.753 -3.576 1.00 0.00 C ATOM 925 CG TYR A 60 5.913 4.668 -5.024 1.00 0.00 C ATOM 926 CD1 TYR A 60 4.799 5.356 -5.483 1.00 0.00 C ATOM 927 CD2 TYR A 60 6.630 3.901 -5.931 1.00 0.00 C ATOM 928 CE1 TYR A 60 4.406 5.280 -6.805 1.00 0.00 C ATOM 929 CE2 TYR A 60 6.248 3.819 -7.257 1.00 0.00 C ATOM 930 CZ TYR A 60 5.136 4.510 -7.689 1.00 0.00 C ATOM 931 OH TYR A 60 4.751 4.434 -9.009 1.00 0.00 O ATOM 0 H TYR A 60 4.202 5.153 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 60 5.485 2.833 -3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.197 5.775 -3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.404 4.537 -3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.229 5.962 -4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.502 3.359 -5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.534 5.819 -7.145 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.817 3.217 -7.950 1.00 0.00 H new ATOM 0 HH TYR A 60 5.474 4.767 -9.580 1.00 0.00 H new ATOM 941 N ALA A 61 7.329 2.710 -1.377 1.00 0.00 N ATOM 942 CA ALA A 61 8.213 2.507 -0.235 1.00 0.00 C ATOM 943 C ALA A 61 7.415 2.223 1.032 1.00 0.00 C ATOM 944 O ALA A 61 7.690 2.786 2.091 1.00 0.00 O ATOM 945 CB ALA A 61 9.107 3.723 -0.036 1.00 0.00 C ATOM 0 H ALA A 61 7.531 2.112 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 61 8.839 1.639 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.761 3.557 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.711 3.881 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.490 4.603 0.144 1.00 0.00 H new ATOM 951 N VAL A 62 6.423 1.344 0.917 1.00 0.00 N ATOM 952 CA VAL A 62 5.456 1.140 1.989 1.00 0.00 C ATOM 953 C VAL A 62 6.079 0.378 3.153 1.00 0.00 C ATOM 954 O VAL A 62 6.618 -0.715 2.977 1.00 0.00 O ATOM 955 CB VAL A 62 4.215 0.375 1.491 1.00 0.00 C ATOM 956 CG1 VAL A 62 3.260 0.103 2.643 1.00 0.00 C ATOM 957 CG2 VAL A 62 3.513 1.158 0.392 1.00 0.00 C ATOM 0 H VAL A 62 6.269 0.763 0.093 1.00 0.00 H new ATOM 0 HA VAL A 62 5.149 2.129 2.329 1.00 0.00 H new ATOM 0 HB VAL A 62 4.541 -0.580 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.389 -0.438 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.765 -0.496 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.941 1.048 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.639 0.603 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.200 2.127 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.197 1.305 -0.444 1.00 0.00 H new ATOM 967 N LYS A 63 5.998 0.960 4.344 1.00 0.00 N ATOM 968 CA LYS A 63 6.612 0.368 5.528 1.00 0.00 C ATOM 969 C LYS A 63 5.550 -0.024 6.552 1.00 0.00 C ATOM 970 O LYS A 63 4.663 0.767 6.875 1.00 0.00 O ATOM 971 CB LYS A 63 7.617 1.337 6.153 1.00 0.00 C ATOM 972 CG LYS A 63 8.828 1.636 5.280 1.00 0.00 C ATOM 973 CD LYS A 63 9.819 2.540 6.000 1.00 0.00 C ATOM 974 CE LYS A 63 10.997 2.895 5.104 1.00 0.00 C ATOM 975 NZ LYS A 63 11.994 3.746 5.807 1.00 0.00 N ATOM 0 H LYS A 63 5.513 1.841 4.516 1.00 0.00 H new ATOM 0 HA LYS A 63 7.141 -0.533 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.108 2.274 6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.961 0.923 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.319 0.703 5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.503 2.112 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.316 3.452 6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.181 2.042 6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.479 1.980 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.635 3.417 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.780 3.965 5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.541 4.631 6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.359 3.238 6.638 1.00 0.00 H new ATOM 989 N VAL A 64 5.649 -1.246 7.061 1.00 0.00 N ATOM 990 CA VAL A 64 4.672 -1.760 8.013 1.00 0.00 C ATOM 991 C VAL A 64 5.269 -1.861 9.413 1.00 0.00 C ATOM 992 O VAL A 64 6.376 -2.365 9.592 1.00 0.00 O ATOM 993 CB VAL A 64 4.142 -3.144 7.590 1.00 0.00 C ATOM 994 CG1 VAL A 64 3.184 -3.690 8.638 1.00 0.00 C ATOM 995 CG2 VAL A 64 3.456 -3.060 6.234 1.00 0.00 C ATOM 0 H VAL A 64 6.397 -1.900 6.830 1.00 0.00 H new ATOM 0 HA VAL A 64 3.842 -1.053 8.024 1.00 0.00 H new ATOM 0 HB VAL A 64 4.988 -3.826 7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.819 -4.668 8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.704 -3.786 9.591 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.341 -3.008 8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.088 -4.046 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.620 -2.363 6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.168 -2.710 5.487 1.00 0.00 H new ATOM 1005 N VAL A 65 4.525 -1.377 10.403 1.00 0.00 N ATOM 1006 CA VAL A 65 5.046 -1.252 11.759 1.00 0.00 C ATOM 1007 C VAL A 65 4.798 -2.523 12.563 1.00 0.00 C ATOM 1008 O VAL A 65 3.815 -3.235 12.358 1.00 0.00 O ATOM 1009 CB VAL A 65 4.417 -0.056 12.499 1.00 0.00 C ATOM 1010 CG1 VAL A 65 4.615 1.226 11.704 1.00 0.00 C ATOM 1011 CG2 VAL A 65 2.938 -0.304 12.749 1.00 0.00 C ATOM 0 H VAL A 65 3.560 -1.065 10.291 1.00 0.00 H new ATOM 0 HA VAL A 65 6.120 -1.086 11.669 1.00 0.00 H new ATOM 0 HB VAL A 65 4.916 0.055 13.462 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.165 2.061 12.241 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.681 1.412 11.573 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.141 1.125 10.727 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.509 0.550 13.273 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.426 -0.440 11.797 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.817 -1.200 13.357 1.00 0.00 H new ATOM 1021 N PRO A 66 5.709 -2.817 13.501 1.00 0.00 N ATOM 1022 CA PRO A 66 5.561 -3.948 14.423 1.00 0.00 C ATOM 1023 C PRO A 66 4.422 -3.744 15.414 1.00 0.00 C ATOM 1024 O PRO A 66 4.422 -2.784 16.186 1.00 0.00 O ATOM 1025 CB PRO A 66 6.919 -4.032 15.126 1.00 0.00 C ATOM 1026 CG PRO A 66 7.448 -2.639 15.080 1.00 0.00 C ATOM 1027 CD PRO A 66 6.974 -2.075 13.766 1.00 0.00 C ATOM 0 HA PRO A 66 5.301 -4.869 13.902 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.814 -4.383 16.152 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.587 -4.728 14.618 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.076 -2.049 15.918 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.536 -2.630 15.142 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.803 -1.000 13.830 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.706 -2.235 12.974 1.00 0.00 H new ATOM 1035 N LEU A 67 3.451 -4.650 15.388 1.00 0.00 N ATOM 1036 CA LEU A 67 2.275 -4.538 16.245 1.00 0.00 C ATOM 1037 C LEU A 67 2.423 -5.407 17.490 1.00 0.00 C ATOM 1038 O LEU A 67 1.735 -5.202 18.487 1.00 0.00 O ATOM 1039 CB LEU A 67 1.013 -4.927 15.466 1.00 0.00 C ATOM 1040 CG LEU A 67 0.698 -4.048 14.249 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -0.541 -4.569 13.534 1.00 0.00 C ATOM 1042 CD2 LEU A 67 0.495 -2.609 14.701 1.00 0.00 C ATOM 0 H LEU A 67 3.454 -5.471 14.783 1.00 0.00 H new ATOM 0 HA LEU A 67 2.183 -3.501 16.567 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.116 -5.959 15.131 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.162 -4.896 16.146 1.00 0.00 H new ATOM 0 HG LEU A 67 1.534 -4.082 13.550 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.756 -3.938 12.672 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.366 -5.592 13.200 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.390 -4.551 14.217 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.271 -1.984 13.836 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.335 -2.563 15.407 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.403 -2.248 15.184 1.00 0.00 H new ATOM 1054 N GLU A 68 3.330 -6.378 17.422 1.00 0.00 N ATOM 1055 CA GLU A 68 3.572 -7.276 18.547 1.00 0.00 C ATOM 1056 C GLU A 68 4.356 -6.567 19.647 1.00 0.00 C ATOM 1057 O GLU A 68 5.388 -5.946 19.390 1.00 0.00 O ATOM 1058 CB GLU A 68 4.322 -8.527 18.085 1.00 0.00 C ATOM 1059 CG GLU A 68 4.580 -9.547 19.185 1.00 0.00 C ATOM 1060 CD GLU A 68 5.322 -10.743 18.657 1.00 0.00 C ATOM 1061 OE1 GLU A 68 5.627 -10.762 17.489 1.00 0.00 O ATOM 1062 OE2 GLU A 68 5.683 -11.587 19.443 1.00 0.00 O ATOM 0 H GLU A 68 3.908 -6.563 16.602 1.00 0.00 H new ATOM 0 HA GLU A 68 2.606 -7.578 18.952 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.751 -9.005 17.289 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.277 -8.225 17.655 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.156 -9.083 19.986 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.632 -9.866 19.618 1.00 0.00 H new ATOM 1069 N HIS A 69 3.859 -6.665 20.877 1.00 0.00 N ATOM 1070 CA HIS A 69 4.545 -6.089 22.028 1.00 0.00 C ATOM 1071 C HIS A 69 5.897 -6.761 22.246 1.00 0.00 C ATOM 1072 O HIS A 69 6.022 -7.981 22.134 1.00 0.00 O ATOM 1073 CB HIS A 69 3.684 -6.214 23.290 1.00 0.00 C ATOM 1074 CG HIS A 69 4.203 -5.423 24.451 1.00 0.00 C ATOM 1075 ND1 HIS A 69 5.189 -5.895 25.291 1.00 0.00 N ATOM 1076 CD2 HIS A 69 3.872 -4.193 24.911 1.00 0.00 C ATOM 1077 CE1 HIS A 69 5.443 -4.988 26.219 1.00 0.00 C ATOM 1078 NE2 HIS A 69 4.657 -3.947 26.011 1.00 0.00 N ATOM 0 H HIS A 69 2.984 -7.138 21.101 1.00 0.00 H new ATOM 0 HA HIS A 69 4.713 -5.032 21.824 1.00 0.00 H new ATOM 0 HB2 HIS A 69 2.670 -5.886 23.062 1.00 0.00 H new ATOM 0 HB3 HIS A 69 3.622 -7.264 23.575 1.00 0.00 H new ATOM 0 HD1 HIS A 69 5.650 -6.801 25.209 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.130 -3.530 24.492 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.170 -5.082 27.012 1.00 0.00 H new ATOM 1085 N HIS A 70 6.910 -5.956 22.556 1.00 0.00 N ATOM 1086 CA HIS A 70 8.256 -6.471 22.776 1.00 0.00 C ATOM 1087 C HIS A 70 8.273 -7.470 23.928 1.00 0.00 C ATOM 1088 O HIS A 70 7.308 -7.577 24.686 1.00 0.00 O ATOM 1089 CB HIS A 70 9.236 -5.326 23.054 1.00 0.00 C ATOM 1090 CG HIS A 70 9.036 -4.676 24.389 1.00 0.00 C ATOM 1091 ND1 HIS A 70 9.509 -5.225 25.562 1.00 0.00 N ATOM 1092 CD2 HIS A 70 8.417 -3.524 24.735 1.00 0.00 C ATOM 1093 CE1 HIS A 70 9.188 -4.438 26.574 1.00 0.00 C ATOM 1094 NE2 HIS A 70 8.525 -3.399 26.098 1.00 0.00 N ATOM 0 H HIS A 70 6.823 -4.945 22.660 1.00 0.00 H new ATOM 0 HA HIS A 70 8.571 -6.985 21.868 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.255 -5.709 22.995 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.132 -4.573 22.273 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.929 -2.832 24.064 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.427 -4.614 27.612 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.153 -2.628 26.653 1.00 0.00 H new ATOM 1101 N HIS A 71 9.377 -8.201 24.055 1.00 0.00 N ATOM 1102 CA HIS A 71 9.510 -9.208 25.101 1.00 0.00 C ATOM 1103 C HIS A 71 10.763 -8.959 25.938 1.00 0.00 C ATOM 1104 O HIS A 71 11.680 -8.258 25.508 1.00 0.00 O ATOM 1105 CB HIS A 71 9.551 -10.616 24.499 1.00 0.00 C ATOM 1106 CG HIS A 71 8.347 -10.953 23.675 1.00 0.00 C ATOM 1107 ND1 HIS A 71 7.130 -11.276 24.236 1.00 0.00 N ATOM 1108 CD2 HIS A 71 8.173 -11.018 22.335 1.00 0.00 C ATOM 1109 CE1 HIS A 71 6.258 -11.524 23.273 1.00 0.00 C ATOM 1110 NE2 HIS A 71 6.866 -11.374 22.112 1.00 0.00 N ATOM 0 H HIS A 71 10.191 -8.114 23.447 1.00 0.00 H new ATOM 0 HA HIS A 71 8.638 -9.132 25.750 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.443 -10.711 23.879 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.644 -11.344 25.305 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.922 -10.826 21.581 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.224 -11.802 23.413 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.435 -11.502 21.197 1.00 0.00 H new ATOM 1117 N HIS A 72 10.794 -9.538 27.134 1.00 0.00 N ATOM 1118 CA HIS A 72 11.916 -9.349 28.046 1.00 0.00 C ATOM 1119 C HIS A 72 11.947 -10.447 29.105 1.00 0.00 C ATOM 1120 O HIS A 72 11.031 -11.265 29.192 1.00 0.00 O ATOM 1121 CB HIS A 72 11.845 -7.973 28.716 1.00 0.00 C ATOM 1122 CG HIS A 72 10.624 -7.778 29.561 1.00 0.00 C ATOM 1123 ND1 HIS A 72 9.410 -7.391 29.033 1.00 0.00 N ATOM 1124 CD2 HIS A 72 10.430 -7.913 30.894 1.00 0.00 C ATOM 1125 CE1 HIS A 72 8.520 -7.299 30.008 1.00 0.00 C ATOM 1126 NE2 HIS A 72 9.115 -7.610 31.144 1.00 0.00 N ATOM 0 H HIS A 72 10.055 -10.142 27.494 1.00 0.00 H new ATOM 0 HA HIS A 72 12.834 -9.405 27.462 1.00 0.00 H new ATOM 0 HB2 HIS A 72 12.731 -7.834 29.336 1.00 0.00 H new ATOM 0 HB3 HIS A 72 11.870 -7.202 27.946 1.00 0.00 H new ATOM 0 HD2 HIS A 72 11.171 -8.204 31.624 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.484 -7.017 29.894 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.669 -7.623 32.061 1.00 0.00 H new ATOM 1133 N HIS A 73 13.007 -10.459 29.907 1.00 0.00 N ATOM 1134 CA HIS A 73 13.140 -11.435 30.984 1.00 0.00 C ATOM 1135 C HIS A 73 13.414 -10.742 32.313 1.00 0.00 C ATOM 1136 O HIS A 73 14.071 -9.701 32.359 1.00 0.00 O ATOM 1137 CB HIS A 73 14.257 -12.438 30.673 1.00 0.00 C ATOM 1138 CG HIS A 73 14.017 -13.240 29.432 1.00 0.00 C ATOM 1139 ND1 HIS A 73 13.179 -14.335 29.405 1.00 0.00 N ATOM 1140 CD2 HIS A 73 14.504 -13.108 28.176 1.00 0.00 C ATOM 1141 CE1 HIS A 73 13.162 -14.842 28.184 1.00 0.00 C ATOM 1142 NE2 HIS A 73 13.957 -14.116 27.421 1.00 0.00 N ATOM 0 H HIS A 73 13.786 -9.805 29.832 1.00 0.00 H new ATOM 0 HA HIS A 73 12.197 -11.976 31.063 1.00 0.00 H new ATOM 0 HB2 HIS A 73 15.199 -11.899 30.570 1.00 0.00 H new ATOM 0 HB3 HIS A 73 14.369 -13.117 31.518 1.00 0.00 H new ATOM 0 HD2 HIS A 73 15.194 -12.351 27.832 1.00 0.00 H new ATOM 0 HE1 HIS A 73 12.594 -15.704 27.865 1.00 0.00 H new ATOM 0 HE2 HIS A 73 14.136 -14.278 26.430 1.00 0.00 H new ATOM 1149 N HIS A 74 12.905 -11.323 33.394 1.00 0.00 N ATOM 1150 CA HIS A 74 13.070 -10.746 34.724 1.00 0.00 C ATOM 1151 C HIS A 74 12.752 -11.772 35.807 1.00 0.00 C ATOM 1152 O HIS A 74 12.289 -12.865 35.482 1.00 0.00 O ATOM 1153 CB HIS A 74 12.179 -9.510 34.892 1.00 0.00 C ATOM 1154 CG HIS A 74 12.359 -8.814 36.206 1.00 0.00 C ATOM 1155 ND1 HIS A 74 13.491 -8.090 36.516 1.00 0.00 N ATOM 1156 CD2 HIS A 74 11.551 -8.731 37.289 1.00 0.00 C ATOM 1157 CE1 HIS A 74 13.371 -7.591 37.734 1.00 0.00 C ATOM 1158 NE2 HIS A 74 12.204 -7.966 38.224 1.00 0.00 N ATOM 1159 OXT HIS A 74 12.955 -11.510 36.961 1.00 0.00 O ATOM 0 H HIS A 74 12.374 -12.194 33.376 1.00 0.00 H new ATOM 0 HA HIS A 74 14.112 -10.444 34.830 1.00 0.00 H new ATOM 0 HB2 HIS A 74 12.391 -8.807 34.086 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.136 -9.808 34.788 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.576 -9.182 37.397 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.103 -6.980 38.242 1.00 0.00 H new ATOM 0 HE2 HIS A 74 11.845 -7.726 39.148 1.00 0.00 H new TER 1166 HIS A 74