USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 THR OG1 : rot 180:sc= 0.169 USER MOD Set 1.2: A 61 GLN : amide:sc= 0.134 X(o=0.3,f=-0.043) USER MOD Set 2.1: A 56 ASN : amide:sc= 0.607 K(o=-4.1,f=-11) USER MOD Set 2.2: A 58 ASN : amide:sc= -4.67! C(o=-4.1!,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= -0.0536 (180deg=-1.15!) USER MOD Single : A 6 LYS NZ :NH3+ -119:sc= 1.26 (180deg=-0.588) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.208 (180deg=-0.644) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.89!) USER MOD Single : A 11 ASN : amide:sc= -1.25 K(o=-1.3,f=-7.7!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -2:sc= 1.16 USER MOD Single : A 17 CYS SG : rot 140:sc= -4.6! USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 23 SER OG : rot 66:sc= 0.774 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -4:sc= 0.202 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.6!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -131:sc= -4.79! (180deg=-5.71!) USER MOD Single : A 67 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 69 THR OG1 : rot -110:sc= -0.458 USER MOD Single : A 70 HIS : no HD1:sc= -0.0743 X(o=-0.074,f=-0.4) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 67:sc= 0.672 USER MOD Single : A 77 THR OG1 : rot -107:sc= 0.867 USER MOD Single : A 78 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.025) USER MOD Single : A 81 LYS NZ :NH3+ 158:sc= -0.0292 (180deg=-0.349) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.763 -1.514 0.063 1.00 0.00 N ATOM 2 CA MET A 1 14.769 -1.729 -1.412 1.00 0.00 C ATOM 3 C MET A 1 13.339 -1.631 -1.947 1.00 0.00 C ATOM 4 O MET A 1 12.401 -1.418 -1.204 1.00 0.00 O ATOM 5 CB MET A 1 15.336 -3.116 -1.723 1.00 0.00 C ATOM 6 CG MET A 1 14.461 -4.185 -1.066 1.00 0.00 C ATOM 7 SD MET A 1 15.318 -5.779 -1.115 1.00 0.00 S ATOM 8 CE MET A 1 13.844 -6.827 -1.163 1.00 0.00 C ATOM 0 H1 MET A 1 15.468 -2.137 0.507 1.00 0.00 H new ATOM 0 H2 MET A 1 14.998 -0.522 0.270 1.00 0.00 H new ATOM 0 H3 MET A 1 13.820 -1.733 0.442 1.00 0.00 H new ATOM 0 HA MET A 1 15.388 -0.968 -1.888 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.372 -3.272 -2.801 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.359 -3.193 -1.356 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.243 -3.909 -0.034 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.505 -4.258 -1.585 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.143 -7.875 -1.197 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.243 -6.650 -0.271 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.257 -6.588 -2.050 1.00 0.00 H new ATOM 20 N GLU A 2 13.165 -1.783 -3.231 1.00 0.00 N ATOM 21 CA GLU A 2 11.796 -1.696 -3.812 1.00 0.00 C ATOM 22 C GLU A 2 10.983 -2.925 -3.396 1.00 0.00 C ATOM 23 O GLU A 2 11.467 -4.039 -3.419 1.00 0.00 O ATOM 24 CB GLU A 2 11.889 -1.617 -5.344 1.00 0.00 C ATOM 25 CG GLU A 2 12.286 -2.978 -5.937 1.00 0.00 C ATOM 26 CD GLU A 2 13.513 -3.528 -5.206 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.507 -2.824 -5.144 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.436 -4.644 -4.719 1.00 0.00 O ATOM 0 H GLU A 2 13.911 -1.964 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 2 11.299 -0.799 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.930 -1.302 -5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.622 -0.863 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.456 -3.679 -5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.503 -2.872 -7.000 1.00 0.00 H new ATOM 35 N TRP A 3 9.748 -2.729 -3.017 1.00 0.00 N ATOM 36 CA TRP A 3 8.892 -3.880 -2.598 1.00 0.00 C ATOM 37 C TRP A 3 8.024 -4.323 -3.777 1.00 0.00 C ATOM 38 O TRP A 3 8.087 -3.758 -4.851 1.00 0.00 O ATOM 39 CB TRP A 3 7.990 -3.446 -1.440 1.00 0.00 C ATOM 40 CG TRP A 3 8.834 -2.976 -0.300 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.609 -1.868 -0.311 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.002 -3.579 1.017 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.243 -1.752 0.913 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.900 -2.782 1.765 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.468 -4.728 1.627 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.256 -3.114 3.074 1.00 0.00 C ATOM 47 CZ3 TRP A 3 8.824 -5.065 2.944 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.716 -4.259 3.665 1.00 0.00 C ATOM 0 H TRP A 3 9.292 -1.817 -2.979 1.00 0.00 H new ATOM 0 HA TRP A 3 9.525 -4.708 -2.279 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.322 -2.648 -1.765 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.362 -4.278 -1.122 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.716 -1.185 -1.141 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.885 -0.998 1.156 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.780 -5.355 1.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.944 -2.490 3.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.408 -5.950 3.403 1.00 0.00 H new ATOM 0 HH2 TRP A 3 9.986 -4.523 4.677 1.00 0.00 H new ATOM 59 N TRP A 4 7.211 -5.329 -3.582 1.00 0.00 N ATOM 60 CA TRP A 4 6.329 -5.821 -4.686 1.00 0.00 C ATOM 61 C TRP A 4 4.948 -6.147 -4.114 1.00 0.00 C ATOM 62 O TRP A 4 4.811 -6.980 -3.241 1.00 0.00 O ATOM 63 CB TRP A 4 6.932 -7.087 -5.298 1.00 0.00 C ATOM 64 CG TRP A 4 8.358 -6.835 -5.673 1.00 0.00 C ATOM 65 CD1 TRP A 4 9.371 -6.648 -4.797 1.00 0.00 C ATOM 66 CD2 TRP A 4 8.944 -6.742 -7.004 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.542 -6.445 -5.505 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.330 -6.495 -6.868 1.00 0.00 C ATOM 69 CE3 TRP A 4 8.413 -6.848 -8.302 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.161 -6.356 -7.981 1.00 0.00 C ATOM 71 CZ3 TRP A 4 9.246 -6.710 -9.425 1.00 0.00 C ATOM 72 CH2 TRP A 4 10.616 -6.464 -9.264 1.00 0.00 C ATOM 0 H TRP A 4 7.119 -5.835 -2.701 1.00 0.00 H new ATOM 0 HA TRP A 4 6.242 -5.053 -5.454 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.873 -7.910 -4.586 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.362 -7.385 -6.178 1.00 0.00 H new ATOM 0 HD1 TRP A 4 9.281 -6.656 -3.721 1.00 0.00 H new ATOM 0 HE1 TRP A 4 11.451 -6.279 -5.073 1.00 0.00 H new ATOM 0 HE3 TRP A 4 7.358 -7.037 -8.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.216 -6.167 -7.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.828 -6.794 -10.417 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.251 -6.358 -10.131 1.00 0.00 H new ATOM 83 N VAL A 5 3.924 -5.496 -4.594 1.00 0.00 N ATOM 84 CA VAL A 5 2.560 -5.777 -4.064 1.00 0.00 C ATOM 85 C VAL A 5 2.102 -7.163 -4.525 1.00 0.00 C ATOM 86 O VAL A 5 2.189 -7.503 -5.688 1.00 0.00 O ATOM 87 CB VAL A 5 1.580 -4.721 -4.577 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.966 -3.351 -4.021 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.623 -4.676 -6.104 1.00 0.00 C ATOM 0 H VAL A 5 3.972 -4.786 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 5 2.587 -5.748 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 5 0.573 -4.978 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.267 -2.599 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.932 -3.378 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.975 -3.097 -4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.923 -3.922 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.631 -4.423 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.345 -5.651 -6.505 1.00 0.00 H new ATOM 99 N LYS A 6 1.610 -7.967 -3.618 1.00 0.00 N ATOM 100 CA LYS A 6 1.135 -9.334 -3.993 1.00 0.00 C ATOM 101 C LYS A 6 -0.383 -9.302 -4.181 1.00 0.00 C ATOM 102 O LYS A 6 -0.937 -10.044 -4.969 1.00 0.00 O ATOM 103 CB LYS A 6 1.487 -10.319 -2.874 1.00 0.00 C ATOM 104 CG LYS A 6 1.286 -11.751 -3.372 1.00 0.00 C ATOM 105 CD LYS A 6 1.735 -12.737 -2.292 1.00 0.00 C ATOM 106 CE LYS A 6 1.404 -14.164 -2.731 1.00 0.00 C ATOM 107 NZ LYS A 6 1.824 -15.121 -1.669 1.00 0.00 N ATOM 0 H LYS A 6 1.516 -7.735 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 6 1.615 -9.649 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.520 -10.174 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.859 -10.135 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.237 -11.918 -3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.857 -11.912 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.807 -12.638 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.237 -12.511 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.335 -14.259 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.914 -14.396 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.538 -15.773 -2.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.229 -14.595 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.998 -15.664 -1.344 1.00 0.00 H new ATOM 121 N LYS A 7 -1.057 -8.444 -3.464 1.00 0.00 N ATOM 122 CA LYS A 7 -2.540 -8.350 -3.594 1.00 0.00 C ATOM 123 C LYS A 7 -2.986 -6.935 -3.222 1.00 0.00 C ATOM 124 O LYS A 7 -2.231 -6.167 -2.660 1.00 0.00 O ATOM 125 CB LYS A 7 -3.202 -9.359 -2.652 1.00 0.00 C ATOM 126 CG LYS A 7 -2.871 -10.782 -3.109 1.00 0.00 C ATOM 127 CD LYS A 7 -3.801 -11.773 -2.405 1.00 0.00 C ATOM 128 CE LYS A 7 -3.537 -13.184 -2.934 1.00 0.00 C ATOM 129 NZ LYS A 7 -2.141 -13.587 -2.601 1.00 0.00 N ATOM 0 H LYS A 7 -0.642 -7.801 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.833 -8.570 -4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.852 -9.203 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.282 -9.211 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.986 -10.864 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.831 -11.017 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.637 -11.740 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.841 -11.497 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.244 -13.887 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.688 -13.213 -4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.063 -14.624 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.485 -13.173 -3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.899 -13.246 -1.649 1.00 0.00 H new ATOM 143 N VAL A 8 -4.203 -6.580 -3.533 1.00 0.00 N ATOM 144 CA VAL A 8 -4.683 -5.211 -3.196 1.00 0.00 C ATOM 145 C VAL A 8 -6.213 -5.170 -3.253 1.00 0.00 C ATOM 146 O VAL A 8 -6.840 -5.935 -3.958 1.00 0.00 O ATOM 147 CB VAL A 8 -4.104 -4.209 -4.202 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.376 -4.701 -5.624 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.756 -2.835 -4.002 1.00 0.00 C ATOM 0 H VAL A 8 -4.883 -7.177 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.356 -4.949 -2.190 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.029 -4.122 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.965 -3.989 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.906 -5.674 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.451 -4.791 -5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.341 -2.127 -4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.832 -2.917 -4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.559 -2.483 -2.989 1.00 0.00 H new ATOM 159 N GLN A 9 -6.814 -4.275 -2.511 1.00 0.00 N ATOM 160 CA GLN A 9 -8.305 -4.159 -2.506 1.00 0.00 C ATOM 161 C GLN A 9 -8.692 -2.679 -2.541 1.00 0.00 C ATOM 162 O GLN A 9 -8.222 -1.887 -1.750 1.00 0.00 O ATOM 163 CB GLN A 9 -8.860 -4.801 -1.231 1.00 0.00 C ATOM 164 CG GLN A 9 -8.186 -6.156 -1.006 1.00 0.00 C ATOM 165 CD GLN A 9 -8.968 -6.948 0.043 1.00 0.00 C ATOM 166 OE1 GLN A 9 -9.713 -6.382 0.818 1.00 0.00 O ATOM 167 NE2 GLN A 9 -8.828 -8.244 0.102 1.00 0.00 N ATOM 0 H GLN A 9 -6.332 -3.613 -1.903 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.718 -4.668 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.683 -4.149 -0.376 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.939 -4.929 -1.316 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.145 -6.713 -1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.157 -6.012 -0.676 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.203 -8.720 -0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.344 -8.782 0.799 1.00 0.00 H new ATOM 176 N ASP A 10 -9.540 -2.298 -3.457 1.00 0.00 N ATOM 177 CA ASP A 10 -9.949 -0.869 -3.545 1.00 0.00 C ATOM 178 C ASP A 10 -10.514 -0.412 -2.198 1.00 0.00 C ATOM 179 O ASP A 10 -10.704 -1.200 -1.293 1.00 0.00 O ATOM 180 CB ASP A 10 -11.017 -0.709 -4.629 1.00 0.00 C ATOM 181 CG ASP A 10 -12.136 -1.725 -4.398 1.00 0.00 C ATOM 182 OD1 ASP A 10 -11.829 -2.901 -4.289 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.282 -1.311 -4.334 1.00 0.00 O ATOM 0 H ASP A 10 -9.967 -2.915 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.081 -0.260 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.421 0.303 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.575 -0.857 -5.614 1.00 0.00 H new ATOM 188 N ASN A 11 -10.784 0.857 -2.059 1.00 0.00 N ATOM 189 CA ASN A 11 -11.335 1.367 -0.773 1.00 0.00 C ATOM 190 C ASN A 11 -12.817 1.006 -0.675 1.00 0.00 C ATOM 191 O ASN A 11 -13.674 1.866 -0.631 1.00 0.00 O ATOM 192 CB ASN A 11 -11.176 2.888 -0.716 1.00 0.00 C ATOM 193 CG ASN A 11 -11.907 3.523 -1.900 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.142 2.875 -2.902 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.281 4.771 -1.828 1.00 0.00 N ATOM 0 H ASN A 11 -10.646 1.563 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.794 0.914 0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.579 3.271 0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.120 3.155 -0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.770 5.203 -2.612 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.084 5.315 -0.988 1.00 0.00 H new ATOM 202 N ALA A 12 -13.126 -0.260 -0.638 1.00 0.00 N ATOM 203 CA ALA A 12 -14.552 -0.676 -0.543 1.00 0.00 C ATOM 204 C ALA A 12 -15.082 -0.365 0.859 1.00 0.00 C ATOM 205 O ALA A 12 -16.262 -0.469 1.123 1.00 0.00 O ATOM 206 CB ALA A 12 -14.661 -2.177 -0.811 1.00 0.00 C ATOM 0 H ALA A 12 -12.452 -1.025 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.141 -0.132 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.705 -2.484 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.283 -2.397 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.073 -2.722 -0.073 1.00 0.00 H new ATOM 212 N SER A 13 -14.216 0.016 1.759 1.00 0.00 N ATOM 213 CA SER A 13 -14.670 0.335 3.143 1.00 0.00 C ATOM 214 C SER A 13 -15.226 1.760 3.181 1.00 0.00 C ATOM 215 O SER A 13 -16.284 2.009 3.722 1.00 0.00 O ATOM 216 CB SER A 13 -13.486 0.224 4.105 1.00 0.00 C ATOM 217 OG SER A 13 -13.185 -1.148 4.324 1.00 0.00 O ATOM 0 H SER A 13 -13.215 0.120 1.596 1.00 0.00 H new ATOM 0 HA SER A 13 -15.449 -0.367 3.442 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.618 0.737 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.724 0.711 5.051 1.00 0.00 H new ATOM 0 HG SER A 13 -12.425 -1.222 4.939 1.00 0.00 H new ATOM 223 N ALA A 14 -14.518 2.695 2.606 1.00 0.00 N ATOM 224 CA ALA A 14 -14.997 4.108 2.601 1.00 0.00 C ATOM 225 C ALA A 14 -13.928 4.994 1.952 1.00 0.00 C ATOM 226 O ALA A 14 -14.192 5.714 1.009 1.00 0.00 O ATOM 227 CB ALA A 14 -15.247 4.571 4.044 1.00 0.00 C ATOM 0 H ALA A 14 -13.625 2.540 2.138 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.927 4.181 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.597 5.603 4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.002 3.934 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.320 4.505 4.613 1.00 0.00 H new ATOM 233 N SER A 15 -12.725 4.944 2.453 1.00 0.00 N ATOM 234 CA SER A 15 -11.636 5.780 1.871 1.00 0.00 C ATOM 235 C SER A 15 -10.283 5.190 2.267 1.00 0.00 C ATOM 236 O SER A 15 -9.302 5.897 2.392 1.00 0.00 O ATOM 237 CB SER A 15 -11.747 7.206 2.406 1.00 0.00 C ATOM 238 OG SER A 15 -12.854 7.854 1.792 1.00 0.00 O ATOM 0 H SER A 15 -12.448 4.360 3.242 1.00 0.00 H new ATOM 0 HA SER A 15 -11.725 5.794 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.874 7.192 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.829 7.756 2.200 1.00 0.00 H new ATOM 0 HG SER A 15 -13.274 7.245 1.149 1.00 0.00 H new ATOM 244 N LEU A 16 -10.224 3.897 2.466 1.00 0.00 N ATOM 245 CA LEU A 16 -8.938 3.237 2.858 1.00 0.00 C ATOM 246 C LEU A 16 -8.718 2.000 1.989 1.00 0.00 C ATOM 247 O LEU A 16 -9.498 1.068 2.009 1.00 0.00 O ATOM 248 CB LEU A 16 -9.010 2.807 4.326 1.00 0.00 C ATOM 249 CG LEU A 16 -9.168 4.037 5.233 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.660 3.590 6.613 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.824 4.764 5.390 1.00 0.00 C ATOM 0 H LEU A 16 -11.018 3.264 2.373 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.115 3.939 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.850 2.128 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.107 2.260 4.597 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.889 4.717 4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.773 4.461 7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.621 3.087 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.936 2.904 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.954 5.633 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.094 4.087 5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.469 5.088 4.412 1.00 0.00 H new ATOM 263 N CYS A 17 -7.654 1.978 1.230 1.00 0.00 N ATOM 264 CA CYS A 17 -7.368 0.798 0.363 1.00 0.00 C ATOM 265 C CYS A 17 -6.402 -0.126 1.102 1.00 0.00 C ATOM 266 O CYS A 17 -5.610 0.318 1.903 1.00 0.00 O ATOM 267 CB CYS A 17 -6.729 1.274 -0.945 1.00 0.00 C ATOM 268 SG CYS A 17 -7.567 2.776 -1.509 1.00 0.00 S ATOM 0 H CYS A 17 -6.968 2.731 1.173 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.291 0.264 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.668 1.471 -0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.804 0.495 -1.704 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.690 3.612 -1.980 1.00 0.00 H new ATOM 274 N ARG A 18 -6.461 -1.407 0.844 1.00 0.00 N ATOM 275 CA ARG A 18 -5.538 -2.364 1.536 1.00 0.00 C ATOM 276 C ARG A 18 -4.498 -2.862 0.535 1.00 0.00 C ATOM 277 O ARG A 18 -4.781 -3.026 -0.634 1.00 0.00 O ATOM 278 CB ARG A 18 -6.345 -3.555 2.068 1.00 0.00 C ATOM 279 CG ARG A 18 -5.469 -4.424 2.993 1.00 0.00 C ATOM 280 CD ARG A 18 -5.505 -3.877 4.427 1.00 0.00 C ATOM 281 NE ARG A 18 -6.914 -3.842 4.910 1.00 0.00 N ATOM 282 CZ ARG A 18 -7.186 -3.365 6.094 1.00 0.00 C ATOM 283 NH1 ARG A 18 -6.223 -2.920 6.855 1.00 0.00 N ATOM 284 NH2 ARG A 18 -8.419 -3.333 6.517 1.00 0.00 N ATOM 0 H ARG A 18 -7.109 -1.835 0.183 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.041 -1.863 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.218 -3.197 2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.713 -4.155 1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.825 -5.454 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.442 -4.437 2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.900 -4.504 5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.074 -2.876 4.457 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.666 -4.191 4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.258 -2.945 6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.435 -2.547 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.171 -3.681 5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.631 -2.960 7.442 1.00 0.00 H new ATOM 298 N VAL A 19 -3.290 -3.100 0.981 1.00 0.00 N ATOM 299 CA VAL A 19 -2.231 -3.583 0.043 1.00 0.00 C ATOM 300 C VAL A 19 -1.302 -4.561 0.757 1.00 0.00 C ATOM 301 O VAL A 19 -0.862 -4.322 1.864 1.00 0.00 O ATOM 302 CB VAL A 19 -1.407 -2.393 -0.456 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.340 -1.325 -1.027 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.603 -1.795 0.703 1.00 0.00 C ATOM 0 H VAL A 19 -2.992 -2.981 1.949 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.710 -4.085 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.723 -2.735 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.751 -0.479 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.908 -1.745 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.027 -0.989 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.019 -0.949 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.285 -1.458 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.068 -2.552 1.109 1.00 0.00 H new ATOM 314 N VAL A 20 -0.981 -5.653 0.116 1.00 0.00 N ATOM 315 CA VAL A 20 -0.055 -6.650 0.728 1.00 0.00 C ATOM 316 C VAL A 20 1.328 -6.463 0.104 1.00 0.00 C ATOM 317 O VAL A 20 1.517 -6.682 -1.076 1.00 0.00 O ATOM 318 CB VAL A 20 -0.557 -8.066 0.442 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.231 -9.068 1.288 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.043 -8.160 0.797 1.00 0.00 C ATOM 0 H VAL A 20 -1.323 -5.899 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.008 -6.505 1.807 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.418 -8.294 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.127 -10.077 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.290 -9.001 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.092 -8.840 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.403 -9.169 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.180 -7.932 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.606 -7.446 0.196 1.00 0.00 H new ATOM 330 N LEU A 21 2.295 -6.042 0.877 1.00 0.00 N ATOM 331 CA LEU A 21 3.663 -5.821 0.311 1.00 0.00 C ATOM 332 C LEU A 21 4.531 -7.058 0.547 1.00 0.00 C ATOM 333 O LEU A 21 4.714 -7.503 1.663 1.00 0.00 O ATOM 334 CB LEU A 21 4.305 -4.618 1.006 1.00 0.00 C ATOM 335 CG LEU A 21 3.282 -3.486 1.118 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.962 -2.243 1.694 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.717 -3.166 -0.270 1.00 0.00 C ATOM 0 H LEU A 21 2.199 -5.842 1.873 1.00 0.00 H new ATOM 0 HA LEU A 21 3.584 -5.636 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.658 -4.903 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.175 -4.281 0.443 1.00 0.00 H new ATOM 0 HG LEU A 21 2.469 -3.793 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.235 -1.435 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.362 -2.472 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.775 -1.935 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.988 -2.359 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.527 -2.858 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.233 -4.053 -0.679 1.00 0.00 H new ATOM 349 N GLN A 22 5.068 -7.616 -0.509 1.00 0.00 N ATOM 350 CA GLN A 22 5.932 -8.827 -0.379 1.00 0.00 C ATOM 351 C GLN A 22 7.403 -8.412 -0.440 1.00 0.00 C ATOM 352 O GLN A 22 7.753 -7.422 -1.053 1.00 0.00 O ATOM 353 CB GLN A 22 5.627 -9.791 -1.529 1.00 0.00 C ATOM 354 CG GLN A 22 6.605 -10.967 -1.488 1.00 0.00 C ATOM 355 CD GLN A 22 6.114 -12.071 -2.427 1.00 0.00 C ATOM 356 OE1 GLN A 22 5.410 -11.805 -3.381 1.00 0.00 O ATOM 357 NE2 GLN A 22 6.459 -13.308 -2.194 1.00 0.00 N ATOM 0 H GLN A 22 4.943 -7.280 -1.464 1.00 0.00 H new ATOM 0 HA GLN A 22 5.733 -9.318 0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.602 -10.154 -1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.708 -9.271 -2.484 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.600 -10.637 -1.786 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.688 -11.350 -0.471 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.050 -13.530 -1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.138 -14.052 -2.813 1.00 0.00 H new ATOM 366 N SER A 23 8.267 -9.163 0.193 1.00 0.00 N ATOM 367 CA SER A 23 9.723 -8.818 0.179 1.00 0.00 C ATOM 368 C SER A 23 10.551 -10.102 0.118 1.00 0.00 C ATOM 369 O SER A 23 10.791 -10.747 1.119 1.00 0.00 O ATOM 370 CB SER A 23 10.074 -8.047 1.452 1.00 0.00 C ATOM 371 OG SER A 23 10.166 -8.956 2.541 1.00 0.00 O ATOM 0 H SER A 23 8.028 -10.003 0.721 1.00 0.00 H new ATOM 0 HA SER A 23 9.943 -8.202 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.019 -7.520 1.323 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.314 -7.293 1.656 1.00 0.00 H new ATOM 0 HG SER A 23 10.924 -9.561 2.399 1.00 0.00 H new ATOM 377 N GLY A 24 10.994 -10.478 -1.052 1.00 0.00 N ATOM 378 CA GLY A 24 11.810 -11.718 -1.179 1.00 0.00 C ATOM 379 C GLY A 24 10.915 -12.944 -0.984 1.00 0.00 C ATOM 380 O GLY A 24 10.808 -13.791 -1.849 1.00 0.00 O ATOM 0 H GLY A 24 10.825 -9.979 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.285 -11.754 -2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.609 -11.717 -0.438 1.00 0.00 H new ATOM 384 N ALA A 25 10.273 -13.047 0.147 1.00 0.00 N ATOM 385 CA ALA A 25 9.386 -14.219 0.398 1.00 0.00 C ATOM 386 C ALA A 25 8.395 -13.880 1.513 1.00 0.00 C ATOM 387 O ALA A 25 7.265 -14.327 1.509 1.00 0.00 O ATOM 388 CB ALA A 25 10.236 -15.420 0.818 1.00 0.00 C ATOM 0 H ALA A 25 10.324 -12.370 0.909 1.00 0.00 H new ATOM 0 HA ALA A 25 8.838 -14.462 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.589 -16.277 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.942 -15.662 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.784 -15.177 1.728 1.00 0.00 H new ATOM 394 N LEU A 26 8.806 -13.091 2.468 1.00 0.00 N ATOM 395 CA LEU A 26 7.885 -12.724 3.580 1.00 0.00 C ATOM 396 C LEU A 26 6.719 -11.907 3.021 1.00 0.00 C ATOM 397 O LEU A 26 6.717 -11.521 1.869 1.00 0.00 O ATOM 398 CB LEU A 26 8.642 -11.894 4.621 1.00 0.00 C ATOM 399 CG LEU A 26 10.010 -12.526 4.889 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.699 -11.779 6.033 1.00 0.00 C ATOM 401 CD2 LEU A 26 9.830 -13.998 5.277 1.00 0.00 C ATOM 0 H LEU A 26 9.740 -12.685 2.526 1.00 0.00 H new ATOM 0 HA LEU A 26 7.503 -13.629 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.767 -10.872 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.068 -11.841 5.546 1.00 0.00 H new ATOM 0 HG LEU A 26 10.621 -12.461 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.674 -12.228 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.829 -10.732 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.086 -11.844 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.805 -14.446 5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.218 -14.065 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.338 -14.531 4.463 1.00 0.00 H new ATOM 413 N GLU A 27 5.726 -11.638 3.829 1.00 0.00 N ATOM 414 CA GLU A 27 4.553 -10.843 3.350 1.00 0.00 C ATOM 415 C GLU A 27 4.090 -9.901 4.462 1.00 0.00 C ATOM 416 O GLU A 27 4.217 -10.199 5.634 1.00 0.00 O ATOM 417 CB GLU A 27 3.412 -11.791 2.976 1.00 0.00 C ATOM 418 CG GLU A 27 3.965 -12.958 2.156 1.00 0.00 C ATOM 419 CD GLU A 27 2.809 -13.821 1.648 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.759 -13.795 2.270 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.991 -14.491 0.646 1.00 0.00 O ATOM 0 H GLU A 27 5.676 -11.935 4.803 1.00 0.00 H new ATOM 0 HA GLU A 27 4.841 -10.260 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.925 -12.164 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.654 -11.257 2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.548 -12.581 1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.639 -13.558 2.767 1.00 0.00 H new ATOM 428 N MET A 28 3.555 -8.762 4.105 1.00 0.00 N ATOM 429 CA MET A 28 3.081 -7.789 5.136 1.00 0.00 C ATOM 430 C MET A 28 1.781 -7.143 4.659 1.00 0.00 C ATOM 431 O MET A 28 1.551 -7.000 3.475 1.00 0.00 O ATOM 432 CB MET A 28 4.144 -6.706 5.333 1.00 0.00 C ATOM 433 CG MET A 28 5.511 -7.363 5.539 1.00 0.00 C ATOM 434 SD MET A 28 6.678 -6.138 6.181 1.00 0.00 S ATOM 435 CE MET A 28 8.148 -7.195 6.162 1.00 0.00 C ATOM 0 H MET A 28 3.425 -8.462 3.139 1.00 0.00 H new ATOM 0 HA MET A 28 2.907 -8.307 6.079 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.172 -6.047 4.465 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.893 -6.087 6.194 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.424 -8.198 6.235 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.877 -7.770 4.596 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.006 -6.631 6.527 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.982 -8.060 6.804 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.341 -7.531 5.143 1.00 0.00 H new ATOM 445 N ILE A 29 0.933 -6.744 5.576 1.00 0.00 N ATOM 446 CA ILE A 29 -0.363 -6.091 5.199 1.00 0.00 C ATOM 447 C ILE A 29 -0.360 -4.668 5.751 1.00 0.00 C ATOM 448 O ILE A 29 0.154 -4.417 6.823 1.00 0.00 O ATOM 449 CB ILE A 29 -1.533 -6.875 5.807 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.657 -8.230 5.102 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.834 -6.084 5.624 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.668 -9.109 5.845 1.00 0.00 C ATOM 0 H ILE A 29 1.084 -6.843 6.580 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.474 -6.076 4.115 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.351 -7.031 6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.976 -8.086 4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.686 -8.724 5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.664 -6.643 6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.747 -5.119 6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.018 -5.927 4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.753 -10.071 5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.331 -9.265 6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.641 -8.617 5.854 1.00 0.00 H new ATOM 464 N ALA A 30 -0.912 -3.727 5.031 1.00 0.00 N ATOM 465 CA ALA A 30 -0.912 -2.322 5.534 1.00 0.00 C ATOM 466 C ALA A 30 -2.165 -1.582 5.069 1.00 0.00 C ATOM 467 O ALA A 30 -2.638 -1.766 3.964 1.00 0.00 O ATOM 468 CB ALA A 30 0.331 -1.608 4.999 1.00 0.00 C ATOM 0 H ALA A 30 -1.359 -3.868 4.125 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.903 -2.333 6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.343 -0.579 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.225 -2.125 5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.311 -1.610 3.909 1.00 0.00 H new ATOM 474 N GLU A 31 -2.693 -0.729 5.910 1.00 0.00 N ATOM 475 CA GLU A 31 -3.904 0.054 5.531 1.00 0.00 C ATOM 476 C GLU A 31 -3.448 1.307 4.782 1.00 0.00 C ATOM 477 O GLU A 31 -2.633 2.067 5.266 1.00 0.00 O ATOM 478 CB GLU A 31 -4.675 0.447 6.793 1.00 0.00 C ATOM 479 CG GLU A 31 -5.918 1.256 6.407 1.00 0.00 C ATOM 480 CD GLU A 31 -6.897 1.286 7.584 1.00 0.00 C ATOM 481 OE1 GLU A 31 -6.518 1.785 8.630 1.00 0.00 O ATOM 482 OE2 GLU A 31 -8.006 0.807 7.417 1.00 0.00 O ATOM 0 H GLU A 31 -2.334 -0.542 6.846 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.559 -0.541 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.967 -0.446 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.037 1.035 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.633 2.271 6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.397 0.812 5.534 1.00 0.00 H new ATOM 489 N ILE A 32 -3.947 1.507 3.589 1.00 0.00 N ATOM 490 CA ILE A 32 -3.531 2.688 2.762 1.00 0.00 C ATOM 491 C ILE A 32 -4.707 3.663 2.614 1.00 0.00 C ATOM 492 O ILE A 32 -5.855 3.272 2.565 1.00 0.00 O ATOM 493 CB ILE A 32 -3.078 2.170 1.375 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.592 1.774 1.416 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.272 3.244 0.296 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.308 0.871 2.621 1.00 0.00 C ATOM 0 H ILE A 32 -4.633 0.897 3.145 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.710 3.219 3.244 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.689 1.302 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.322 1.257 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.973 2.669 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.946 2.854 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.326 3.517 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.682 4.125 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.252 0.601 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.557 1.401 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.912 -0.033 2.549 1.00 0.00 H new ATOM 508 N GLU A 33 -4.404 4.936 2.528 1.00 0.00 N ATOM 509 CA GLU A 33 -5.464 5.979 2.363 1.00 0.00 C ATOM 510 C GLU A 33 -5.229 6.715 1.042 1.00 0.00 C ATOM 511 O GLU A 33 -4.319 7.512 0.922 1.00 0.00 O ATOM 512 CB GLU A 33 -5.365 6.978 3.518 1.00 0.00 C ATOM 513 CG GLU A 33 -6.561 7.933 3.480 1.00 0.00 C ATOM 514 CD GLU A 33 -6.618 8.730 4.785 1.00 0.00 C ATOM 515 OE1 GLU A 33 -6.270 8.172 5.812 1.00 0.00 O ATOM 516 OE2 GLU A 33 -7.010 9.884 4.734 1.00 0.00 O ATOM 0 H GLU A 33 -3.452 5.301 2.566 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.450 5.514 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.342 6.447 4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.435 7.542 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.472 8.611 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.485 7.371 3.344 1.00 0.00 H new ATOM 523 N ALA A 34 -6.032 6.455 0.042 1.00 0.00 N ATOM 524 CA ALA A 34 -5.835 7.143 -1.269 1.00 0.00 C ATOM 525 C ALA A 34 -7.170 7.248 -2.007 1.00 0.00 C ATOM 526 O ALA A 34 -8.220 6.970 -1.464 1.00 0.00 O ATOM 527 CB ALA A 34 -4.854 6.338 -2.124 1.00 0.00 C ATOM 0 H ALA A 34 -6.812 5.799 0.076 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.439 8.143 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.709 6.839 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.898 6.262 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.255 5.339 -2.295 1.00 0.00 H new ATOM 533 N CYS A 35 -7.129 7.647 -3.251 1.00 0.00 N ATOM 534 CA CYS A 35 -8.382 7.774 -4.052 1.00 0.00 C ATOM 535 C CYS A 35 -8.072 7.430 -5.509 1.00 0.00 C ATOM 536 O CYS A 35 -8.959 7.257 -6.321 1.00 0.00 O ATOM 537 CB CYS A 35 -8.901 9.210 -3.964 1.00 0.00 C ATOM 538 SG CYS A 35 -9.199 9.640 -2.231 1.00 0.00 S ATOM 0 H CYS A 35 -6.274 7.892 -3.750 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.141 7.095 -3.664 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.176 9.897 -4.401 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -9.822 9.311 -4.538 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.990 8.597 -1.483 1.00 0.00 H new ATOM 544 N ARG A 36 -6.813 7.327 -5.844 1.00 0.00 N ATOM 545 CA ARG A 36 -6.438 6.989 -7.244 1.00 0.00 C ATOM 546 C ARG A 36 -6.752 5.516 -7.507 1.00 0.00 C ATOM 547 O ARG A 36 -7.161 5.141 -8.589 1.00 0.00 O ATOM 548 CB ARG A 36 -4.939 7.234 -7.444 1.00 0.00 C ATOM 549 CG ARG A 36 -4.618 8.703 -7.156 1.00 0.00 C ATOM 550 CD ARG A 36 -3.107 8.873 -6.981 1.00 0.00 C ATOM 551 NE ARG A 36 -2.805 10.287 -6.617 1.00 0.00 N ATOM 552 CZ ARG A 36 -1.678 10.585 -6.030 1.00 0.00 C ATOM 553 NH1 ARG A 36 -0.816 9.642 -5.759 1.00 0.00 N ATOM 554 NH2 ARG A 36 -1.413 11.822 -5.715 1.00 0.00 N ATOM 0 H ARG A 36 -6.029 7.463 -5.206 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.003 7.614 -7.936 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.363 6.588 -6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.652 6.981 -8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.973 9.330 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.138 9.030 -6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.742 8.200 -6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.591 8.605 -7.903 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.480 11.022 -6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.024 8.674 -6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.065 9.873 -5.300 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.087 12.558 -5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.532 12.054 -5.256 1.00 0.00 H new ATOM 568 N LEU A 37 -6.572 4.678 -6.520 1.00 0.00 N ATOM 569 CA LEU A 37 -6.863 3.229 -6.699 1.00 0.00 C ATOM 570 C LEU A 37 -6.278 2.743 -8.028 1.00 0.00 C ATOM 571 O LEU A 37 -6.762 1.803 -8.626 1.00 0.00 O ATOM 572 CB LEU A 37 -8.378 3.022 -6.685 1.00 0.00 C ATOM 573 CG LEU A 37 -9.003 3.905 -5.601 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.493 3.584 -5.477 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.313 3.637 -4.260 1.00 0.00 C ATOM 0 H LEU A 37 -6.234 4.939 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.410 2.658 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.799 3.271 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.611 1.974 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.877 4.953 -5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.938 4.213 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.987 3.775 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.618 2.535 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.759 4.266 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.438 2.588 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.251 3.866 -4.345 1.00 0.00 H new ATOM 587 N ARG A 38 -5.236 3.381 -8.492 1.00 0.00 N ATOM 588 CA ARG A 38 -4.609 2.966 -9.782 1.00 0.00 C ATOM 589 C ARG A 38 -3.555 1.890 -9.504 1.00 0.00 C ATOM 590 O ARG A 38 -2.776 1.527 -10.362 1.00 0.00 O ATOM 591 CB ARG A 38 -3.947 4.188 -10.434 1.00 0.00 C ATOM 592 CG ARG A 38 -3.765 3.948 -11.940 1.00 0.00 C ATOM 593 CD ARG A 38 -2.713 4.911 -12.491 1.00 0.00 C ATOM 594 NE ARG A 38 -2.796 4.941 -13.979 1.00 0.00 N ATOM 595 CZ ARG A 38 -2.182 5.879 -14.647 1.00 0.00 C ATOM 596 NH1 ARG A 38 -1.494 6.789 -14.015 1.00 0.00 N ATOM 597 NH2 ARG A 38 -2.256 5.906 -15.951 1.00 0.00 N ATOM 0 H ARG A 38 -4.790 4.175 -8.032 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.367 2.564 -10.454 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.560 5.074 -10.270 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.980 4.379 -9.969 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.458 2.918 -12.120 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.713 4.094 -12.459 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.873 5.911 -12.087 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.717 4.596 -12.178 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.332 4.229 -14.475 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.435 6.768 -12.997 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.015 7.521 -14.539 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.793 5.194 -16.446 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.776 6.639 -16.474 1.00 0.00 H new ATOM 611 N LEU A 39 -3.527 1.379 -8.306 1.00 0.00 N ATOM 612 CA LEU A 39 -2.528 0.329 -7.965 1.00 0.00 C ATOM 613 C LEU A 39 -2.808 -0.925 -8.793 1.00 0.00 C ATOM 614 O LEU A 39 -3.856 -1.064 -9.393 1.00 0.00 O ATOM 615 CB LEU A 39 -2.630 -0.012 -6.475 1.00 0.00 C ATOM 616 CG LEU A 39 -2.717 1.276 -5.651 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.798 0.924 -4.162 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.474 2.136 -5.906 1.00 0.00 C ATOM 0 H LEU A 39 -4.154 1.644 -7.546 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.526 0.697 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.509 -0.630 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.762 -0.594 -6.166 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.607 1.833 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.860 1.840 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.684 0.315 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.908 0.366 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.538 3.052 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.582 1.581 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.417 2.388 -6.965 1.00 0.00 H new ATOM 630 N ARG A 40 -1.880 -1.843 -8.830 1.00 0.00 N ATOM 631 CA ARG A 40 -2.095 -3.091 -9.619 1.00 0.00 C ATOM 632 C ARG A 40 -1.209 -4.204 -9.058 1.00 0.00 C ATOM 633 O ARG A 40 -0.266 -3.956 -8.338 1.00 0.00 O ATOM 634 CB ARG A 40 -1.733 -2.841 -11.084 1.00 0.00 C ATOM 635 CG ARG A 40 -2.077 -4.080 -11.915 1.00 0.00 C ATOM 636 CD ARG A 40 -2.059 -3.718 -13.401 1.00 0.00 C ATOM 637 NE ARG A 40 -3.089 -2.676 -13.671 1.00 0.00 N ATOM 638 CZ ARG A 40 -4.356 -2.988 -13.651 1.00 0.00 C ATOM 639 NH1 ARG A 40 -4.721 -4.214 -13.396 1.00 0.00 N ATOM 640 NH2 ARG A 40 -5.256 -2.073 -13.885 1.00 0.00 N ATOM 0 H ARG A 40 -0.983 -1.783 -8.348 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.142 -3.388 -9.551 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.277 -1.975 -11.461 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.671 -2.614 -11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.360 -4.876 -11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.060 -4.458 -11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.073 -3.352 -13.685 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.256 -4.604 -14.005 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.804 -1.718 -13.872 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.016 -4.928 -13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.711 -4.459 -13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.969 -1.114 -14.083 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.246 -2.316 -13.870 1.00 0.00 H new ATOM 654 N GLU A 41 -1.509 -5.429 -9.385 1.00 0.00 N ATOM 655 CA GLU A 41 -0.691 -6.563 -8.872 1.00 0.00 C ATOM 656 C GLU A 41 0.681 -6.560 -9.551 1.00 0.00 C ATOM 657 O GLU A 41 0.794 -6.352 -10.743 1.00 0.00 O ATOM 658 CB GLU A 41 -1.405 -7.882 -9.177 1.00 0.00 C ATOM 659 CG GLU A 41 -2.641 -8.012 -8.285 1.00 0.00 C ATOM 660 CD GLU A 41 -3.317 -9.360 -8.544 1.00 0.00 C ATOM 661 OE1 GLU A 41 -2.856 -10.073 -9.421 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.282 -9.656 -7.860 1.00 0.00 O ATOM 0 H GLU A 41 -2.288 -5.695 -9.987 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.561 -6.456 -7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.696 -7.916 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.730 -8.721 -9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.356 -7.932 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.337 -7.199 -8.489 1.00 0.00 H new ATOM 669 N GLY A 42 1.724 -6.796 -8.801 1.00 0.00 N ATOM 670 CA GLY A 42 3.089 -6.814 -9.402 1.00 0.00 C ATOM 671 C GLY A 42 3.613 -5.384 -9.546 1.00 0.00 C ATOM 672 O GLY A 42 4.521 -5.122 -10.310 1.00 0.00 O ATOM 0 H GLY A 42 1.690 -6.977 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.764 -7.397 -8.775 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.060 -7.300 -10.377 1.00 0.00 H new ATOM 676 N ASP A 43 3.052 -4.455 -8.821 1.00 0.00 N ATOM 677 CA ASP A 43 3.527 -3.046 -8.924 1.00 0.00 C ATOM 678 C ASP A 43 4.820 -2.880 -8.121 1.00 0.00 C ATOM 679 O ASP A 43 4.953 -3.390 -7.022 1.00 0.00 O ATOM 680 CB ASP A 43 2.455 -2.099 -8.372 1.00 0.00 C ATOM 681 CG ASP A 43 2.729 -0.674 -8.857 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.881 -0.370 -9.122 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.783 0.089 -8.955 1.00 0.00 O ATOM 0 H ASP A 43 2.288 -4.610 -8.164 1.00 0.00 H new ATOM 0 HA ASP A 43 3.717 -2.806 -9.970 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.467 -2.422 -8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.455 -2.129 -7.282 1.00 0.00 H new ATOM 688 N LYS A 44 5.775 -2.167 -8.664 1.00 0.00 N ATOM 689 CA LYS A 44 7.068 -1.953 -7.947 1.00 0.00 C ATOM 690 C LYS A 44 6.989 -0.656 -7.138 1.00 0.00 C ATOM 691 O LYS A 44 6.825 0.418 -7.687 1.00 0.00 O ATOM 692 CB LYS A 44 8.204 -1.843 -8.968 1.00 0.00 C ATOM 693 CG LYS A 44 8.195 -3.070 -9.882 1.00 0.00 C ATOM 694 CD LYS A 44 9.198 -2.866 -11.019 1.00 0.00 C ATOM 695 CE LYS A 44 9.291 -4.143 -11.856 1.00 0.00 C ATOM 696 NZ LYS A 44 9.971 -3.842 -13.148 1.00 0.00 N ATOM 0 H LYS A 44 5.713 -1.721 -9.579 1.00 0.00 H new ATOM 0 HA LYS A 44 7.258 -2.793 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.087 -0.935 -9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.162 -1.767 -8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.452 -3.963 -9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.196 -3.227 -10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.888 -2.030 -11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.177 -2.613 -10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.844 -4.908 -11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.294 -4.542 -12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.034 -4.710 -13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.426 -3.126 -13.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.928 -3.480 -12.961 1.00 0.00 H new ATOM 710 N LEU A 45 7.103 -0.752 -5.835 1.00 0.00 N ATOM 711 CA LEU A 45 7.033 0.467 -4.965 1.00 0.00 C ATOM 712 C LEU A 45 8.420 0.774 -4.396 1.00 0.00 C ATOM 713 O LEU A 45 9.009 -0.034 -3.706 1.00 0.00 O ATOM 714 CB LEU A 45 6.065 0.210 -3.805 1.00 0.00 C ATOM 715 CG LEU A 45 4.780 -0.441 -4.326 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.847 -0.735 -3.149 1.00 0.00 C ATOM 717 CD2 LEU A 45 4.082 0.512 -5.301 1.00 0.00 C ATOM 0 H LEU A 45 7.243 -1.629 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 45 6.685 1.312 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.536 -0.437 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.829 1.148 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 45 5.026 -1.370 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.932 -1.198 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.342 -1.412 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.602 0.196 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.168 0.048 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.835 1.441 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.746 0.726 -6.139 1.00 0.00 H new ATOM 729 N THR A 46 8.943 1.945 -4.671 1.00 0.00 N ATOM 730 CA THR A 46 10.292 2.326 -4.140 1.00 0.00 C ATOM 731 C THR A 46 10.106 3.301 -2.966 1.00 0.00 C ATOM 732 O THR A 46 9.134 4.029 -2.917 1.00 0.00 O ATOM 733 CB THR A 46 11.097 3.016 -5.250 1.00 0.00 C ATOM 734 OG1 THR A 46 12.042 3.903 -4.667 1.00 0.00 O ATOM 735 CG2 THR A 46 10.151 3.806 -6.155 1.00 0.00 C ATOM 0 H THR A 46 8.491 2.658 -5.244 1.00 0.00 H new ATOM 0 HA THR A 46 10.824 1.436 -3.804 1.00 0.00 H new ATOM 0 HB THR A 46 11.618 2.262 -5.840 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.558 4.343 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.725 4.295 -6.942 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.425 3.128 -6.603 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.628 4.559 -5.566 1.00 0.00 H new ATOM 743 N PRO A 47 11.023 3.324 -2.025 1.00 0.00 N ATOM 744 CA PRO A 47 10.930 4.237 -0.844 1.00 0.00 C ATOM 745 C PRO A 47 11.224 5.695 -1.219 1.00 0.00 C ATOM 746 O PRO A 47 12.172 5.986 -1.922 1.00 0.00 O ATOM 747 CB PRO A 47 12.002 3.691 0.111 1.00 0.00 C ATOM 748 CG PRO A 47 13.021 3.068 -0.785 1.00 0.00 C ATOM 749 CD PRO A 47 12.242 2.492 -1.971 1.00 0.00 C ATOM 0 HA PRO A 47 9.930 4.253 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.438 4.487 0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.582 2.960 0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.751 3.806 -1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.573 2.286 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.814 2.559 -2.896 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.002 1.439 -1.820 1.00 0.00 H new ATOM 757 N LEU A 48 10.421 6.616 -0.755 1.00 0.00 N ATOM 758 CA LEU A 48 10.658 8.051 -1.084 1.00 0.00 C ATOM 759 C LEU A 48 11.705 8.621 -0.123 1.00 0.00 C ATOM 760 O LEU A 48 12.800 8.968 -0.518 1.00 0.00 O ATOM 761 CB LEU A 48 9.343 8.831 -0.944 1.00 0.00 C ATOM 762 CG LEU A 48 9.601 10.343 -1.031 1.00 0.00 C ATOM 763 CD1 LEU A 48 10.463 10.661 -2.258 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.260 11.074 -1.148 1.00 0.00 C ATOM 0 H LEU A 48 9.611 6.436 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 48 11.020 8.140 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.649 8.529 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.871 8.591 0.009 1.00 0.00 H new ATOM 0 HG LEU A 48 10.127 10.670 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.640 11.735 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.417 10.140 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.946 10.334 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.435 12.148 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.740 10.739 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.649 10.856 -0.272 1.00 0.00 H new ATOM 776 N ALA A 49 11.377 8.718 1.137 1.00 0.00 N ATOM 777 CA ALA A 49 12.355 9.265 2.119 1.00 0.00 C ATOM 778 C ALA A 49 11.770 9.172 3.532 1.00 0.00 C ATOM 779 O ALA A 49 12.344 8.560 4.411 1.00 0.00 O ATOM 780 CB ALA A 49 12.649 10.729 1.785 1.00 0.00 C ATOM 0 H ALA A 49 10.476 8.443 1.528 1.00 0.00 H new ATOM 0 HA ALA A 49 13.278 8.688 2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.364 11.129 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.067 10.796 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.725 11.306 1.833 1.00 0.00 H new ATOM 786 N ASP A 50 10.636 9.778 3.758 1.00 0.00 N ATOM 787 CA ASP A 50 10.019 9.728 5.115 1.00 0.00 C ATOM 788 C ASP A 50 9.241 8.421 5.282 1.00 0.00 C ATOM 789 O ASP A 50 9.361 7.743 6.282 1.00 0.00 O ATOM 790 CB ASP A 50 9.066 10.913 5.283 1.00 0.00 C ATOM 791 CG ASP A 50 9.842 12.221 5.113 1.00 0.00 C ATOM 792 OD1 ASP A 50 10.580 12.571 6.019 1.00 0.00 O ATOM 793 OD2 ASP A 50 9.686 12.849 4.078 1.00 0.00 O ATOM 0 H ASP A 50 10.110 10.306 3.062 1.00 0.00 H new ATOM 0 HA ASP A 50 10.803 9.778 5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.264 10.855 4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.598 10.881 6.267 1.00 0.00 H new ATOM 798 N ALA A 51 8.445 8.062 4.312 1.00 0.00 N ATOM 799 CA ALA A 51 7.660 6.798 4.419 1.00 0.00 C ATOM 800 C ALA A 51 6.845 6.593 3.141 1.00 0.00 C ATOM 801 O ALA A 51 6.698 5.487 2.658 1.00 0.00 O ATOM 802 CB ALA A 51 6.712 6.886 5.621 1.00 0.00 C ATOM 0 H ALA A 51 8.304 8.589 3.450 1.00 0.00 H new ATOM 0 HA ALA A 51 8.341 5.958 4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.138 5.963 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.292 7.032 6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.031 7.726 5.486 1.00 0.00 H new ATOM 808 N ARG A 52 6.311 7.648 2.589 1.00 0.00 N ATOM 809 CA ARG A 52 5.506 7.508 1.343 1.00 0.00 C ATOM 810 C ARG A 52 6.298 6.698 0.317 1.00 0.00 C ATOM 811 O ARG A 52 7.513 6.721 0.306 1.00 0.00 O ATOM 812 CB ARG A 52 5.201 8.894 0.773 1.00 0.00 C ATOM 813 CG ARG A 52 4.582 9.773 1.861 1.00 0.00 C ATOM 814 CD ARG A 52 4.257 11.151 1.280 1.00 0.00 C ATOM 815 NE ARG A 52 3.982 12.107 2.390 1.00 0.00 N ATOM 816 CZ ARG A 52 3.606 13.327 2.121 1.00 0.00 C ATOM 817 NH1 ARG A 52 3.472 13.711 0.882 1.00 0.00 N ATOM 818 NH2 ARG A 52 3.367 14.165 3.093 1.00 0.00 N ATOM 0 H ARG A 52 6.397 8.599 2.946 1.00 0.00 H new ATOM 0 HA ARG A 52 4.571 6.996 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.116 9.353 0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.517 8.808 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.676 9.307 2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.272 9.873 2.699 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.091 11.509 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.392 11.084 0.621 1.00 0.00 H new ATOM 0 HE ARG A 52 4.088 11.808 3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.661 13.057 0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.178 14.665 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.474 13.866 4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.073 15.119 2.883 1.00 0.00 H new ATOM 832 N TYR A 53 5.617 5.983 -0.545 1.00 0.00 N ATOM 833 CA TYR A 53 6.319 5.161 -1.583 1.00 0.00 C ATOM 834 C TYR A 53 5.878 5.622 -2.973 1.00 0.00 C ATOM 835 O TYR A 53 4.768 6.078 -3.157 1.00 0.00 O ATOM 836 CB TYR A 53 5.949 3.690 -1.398 1.00 0.00 C ATOM 837 CG TYR A 53 6.512 3.188 -0.090 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.787 3.356 1.094 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.761 2.555 -0.064 1.00 0.00 C ATOM 840 CE1 TYR A 53 6.310 2.892 2.308 1.00 0.00 C ATOM 841 CE2 TYR A 53 8.284 2.090 1.150 1.00 0.00 C ATOM 842 CZ TYR A 53 7.559 2.258 2.334 1.00 0.00 C ATOM 843 OH TYR A 53 8.074 1.801 3.530 1.00 0.00 O ATOM 0 H TYR A 53 4.599 5.933 -0.575 1.00 0.00 H new ATOM 0 HA TYR A 53 7.397 5.283 -1.480 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.865 3.573 -1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.341 3.099 -2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.824 3.844 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.320 2.425 -0.979 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.751 3.023 3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.247 1.602 1.171 1.00 0.00 H new ATOM 0 HH TYR A 53 8.947 1.385 3.373 1.00 0.00 H new ATOM 853 N CYS A 54 6.745 5.506 -3.950 1.00 0.00 N ATOM 854 CA CYS A 54 6.397 5.933 -5.343 1.00 0.00 C ATOM 855 C CYS A 54 6.353 4.704 -6.251 1.00 0.00 C ATOM 856 O CYS A 54 7.288 3.931 -6.306 1.00 0.00 O ATOM 857 CB CYS A 54 7.462 6.907 -5.856 1.00 0.00 C ATOM 858 SG CYS A 54 7.827 8.130 -4.573 1.00 0.00 S ATOM 0 H CYS A 54 7.687 5.131 -3.841 1.00 0.00 H new ATOM 0 HA CYS A 54 5.424 6.424 -5.344 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.368 6.364 -6.124 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.110 7.405 -6.759 1.00 0.00 H new ATOM 0 HG CYS A 54 8.733 8.956 -5.006 1.00 0.00 H new ATOM 864 N LEU A 55 5.274 4.514 -6.966 1.00 0.00 N ATOM 865 CA LEU A 55 5.176 3.328 -7.872 1.00 0.00 C ATOM 866 C LEU A 55 5.634 3.723 -9.275 1.00 0.00 C ATOM 867 O LEU A 55 5.441 4.839 -9.710 1.00 0.00 O ATOM 868 CB LEU A 55 3.723 2.822 -7.917 1.00 0.00 C ATOM 869 CG LEU A 55 2.747 3.963 -8.318 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.426 3.894 -9.819 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.436 3.827 -7.524 1.00 0.00 C ATOM 0 H LEU A 55 4.458 5.126 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 55 5.815 2.530 -7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.642 2.002 -8.630 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.442 2.425 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 55 3.223 4.918 -8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.741 4.700 -10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.347 3.998 -10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.962 2.935 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.754 4.629 -7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.976 2.864 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.648 3.892 -6.457 1.00 0.00 H new ATOM 883 N ASN A 56 6.248 2.814 -9.983 1.00 0.00 N ATOM 884 CA ASN A 56 6.725 3.137 -11.358 1.00 0.00 C ATOM 885 C ASN A 56 7.695 4.321 -11.298 1.00 0.00 C ATOM 886 O ASN A 56 8.060 4.888 -12.308 1.00 0.00 O ATOM 887 CB ASN A 56 5.530 3.495 -12.247 1.00 0.00 C ATOM 888 CG ASN A 56 5.947 3.433 -13.718 1.00 0.00 C ATOM 889 OD1 ASN A 56 6.005 4.444 -14.389 1.00 0.00 O ATOM 890 ND2 ASN A 56 6.244 2.279 -14.252 1.00 0.00 N ATOM 0 H ASN A 56 6.440 1.863 -9.669 1.00 0.00 H new ATOM 0 HA ASN A 56 7.237 2.270 -11.776 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.707 2.804 -12.063 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.169 4.494 -12.003 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.524 2.227 -15.231 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.196 1.429 -13.690 1.00 0.00 H new ATOM 897 N ASN A 57 8.117 4.689 -10.118 1.00 0.00 N ATOM 898 CA ASN A 57 9.072 5.828 -9.971 1.00 0.00 C ATOM 899 C ASN A 57 8.411 7.138 -10.421 1.00 0.00 C ATOM 900 O ASN A 57 9.024 7.953 -11.080 1.00 0.00 O ATOM 901 CB ASN A 57 10.327 5.563 -10.818 1.00 0.00 C ATOM 902 CG ASN A 57 11.497 6.398 -10.289 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.620 6.608 -9.098 1.00 0.00 O ATOM 904 ND2 ASN A 57 12.368 6.886 -11.130 1.00 0.00 N ATOM 0 H ASN A 57 7.839 4.246 -9.242 1.00 0.00 H new ATOM 0 HA ASN A 57 9.354 5.919 -8.922 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.581 4.503 -10.786 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.132 5.813 -11.861 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.151 7.443 -10.788 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.266 6.710 -12.130 1.00 0.00 H new ATOM 911 N ASN A 58 7.168 7.347 -10.059 1.00 0.00 N ATOM 912 CA ASN A 58 6.450 8.603 -10.444 1.00 0.00 C ATOM 913 C ASN A 58 5.962 9.306 -9.166 1.00 0.00 C ATOM 914 O ASN A 58 4.880 9.027 -8.687 1.00 0.00 O ATOM 915 CB ASN A 58 5.244 8.241 -11.318 1.00 0.00 C ATOM 916 CG ASN A 58 5.657 7.190 -12.350 1.00 0.00 C ATOM 917 OD1 ASN A 58 6.825 6.895 -12.499 1.00 0.00 O ATOM 918 ND2 ASN A 58 4.739 6.610 -13.074 1.00 0.00 N ATOM 0 H ASN A 58 6.614 6.693 -9.506 1.00 0.00 H new ATOM 0 HA ASN A 58 7.117 9.264 -10.997 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.434 7.858 -10.697 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.866 9.131 -11.821 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.003 5.908 -13.766 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.758 6.858 -12.948 1.00 0.00 H new ATOM 925 N PRO A 59 6.750 10.199 -8.606 1.00 0.00 N ATOM 926 CA PRO A 59 6.377 10.933 -7.354 1.00 0.00 C ATOM 927 C PRO A 59 4.944 11.486 -7.390 1.00 0.00 C ATOM 928 O PRO A 59 4.456 12.030 -6.420 1.00 0.00 O ATOM 929 CB PRO A 59 7.403 12.068 -7.286 1.00 0.00 C ATOM 930 CG PRO A 59 8.610 11.523 -7.977 1.00 0.00 C ATOM 931 CD PRO A 59 8.082 10.614 -9.091 1.00 0.00 C ATOM 0 HA PRO A 59 6.392 10.279 -6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.034 12.967 -7.781 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.625 12.341 -6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.222 12.327 -8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.239 10.965 -7.283 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.014 11.144 -10.041 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.735 9.756 -9.250 1.00 0.00 H new ATOM 939 N THR A 60 4.270 11.347 -8.497 1.00 0.00 N ATOM 940 CA THR A 60 2.870 11.853 -8.598 1.00 0.00 C ATOM 941 C THR A 60 1.914 10.778 -8.072 1.00 0.00 C ATOM 942 O THR A 60 0.965 11.060 -7.367 1.00 0.00 O ATOM 943 CB THR A 60 2.548 12.146 -10.068 1.00 0.00 C ATOM 944 OG1 THR A 60 1.151 11.995 -10.283 1.00 0.00 O ATOM 945 CG2 THR A 60 3.315 11.170 -10.967 1.00 0.00 C ATOM 0 H THR A 60 4.629 10.902 -9.342 1.00 0.00 H new ATOM 0 HA THR A 60 2.758 12.764 -8.011 1.00 0.00 H new ATOM 0 HB THR A 60 2.845 13.166 -10.309 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.942 12.183 -11.222 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.085 11.380 -12.012 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.386 11.287 -10.801 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.021 10.148 -10.729 1.00 0.00 H new ATOM 953 N GLN A 61 2.168 9.543 -8.414 1.00 0.00 N ATOM 954 CA GLN A 61 1.302 8.417 -7.953 1.00 0.00 C ATOM 955 C GLN A 61 1.928 7.780 -6.712 1.00 0.00 C ATOM 956 O GLN A 61 2.369 6.649 -6.745 1.00 0.00 O ATOM 957 CB GLN A 61 1.193 7.362 -9.058 1.00 0.00 C ATOM 958 CG GLN A 61 0.726 8.019 -10.357 1.00 0.00 C ATOM 959 CD GLN A 61 -0.723 8.483 -10.203 1.00 0.00 C ATOM 960 OE1 GLN A 61 -1.643 7.706 -10.364 1.00 0.00 O ATOM 961 NE2 GLN A 61 -0.968 9.728 -9.895 1.00 0.00 N ATOM 0 H GLN A 61 2.952 9.262 -9.003 1.00 0.00 H new ATOM 0 HA GLN A 61 0.308 8.797 -7.717 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.159 6.880 -9.210 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.491 6.582 -8.761 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.367 8.867 -10.599 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.807 7.313 -11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.196 10.381 -9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.931 10.047 -9.790 1.00 0.00 H new ATOM 970 N THR A 62 2.002 8.499 -5.621 1.00 0.00 N ATOM 971 CA THR A 62 2.640 7.929 -4.394 1.00 0.00 C ATOM 972 C THR A 62 1.577 7.315 -3.485 1.00 0.00 C ATOM 973 O THR A 62 0.408 7.275 -3.814 1.00 0.00 O ATOM 974 CB THR A 62 3.368 9.042 -3.637 1.00 0.00 C ATOM 975 OG1 THR A 62 2.446 9.719 -2.794 1.00 0.00 O ATOM 976 CG2 THR A 62 3.966 10.029 -4.637 1.00 0.00 C ATOM 0 H THR A 62 1.650 9.452 -5.526 1.00 0.00 H new ATOM 0 HA THR A 62 3.349 7.155 -4.689 1.00 0.00 H new ATOM 0 HB THR A 62 4.166 8.612 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.910 10.431 -2.307 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.485 10.822 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.671 9.508 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.169 10.462 -5.242 1.00 0.00 H new ATOM 984 N LEU A 63 1.990 6.797 -2.357 1.00 0.00 N ATOM 985 CA LEU A 63 1.026 6.134 -1.428 1.00 0.00 C ATOM 986 C LEU A 63 1.395 6.468 0.025 1.00 0.00 C ATOM 987 O LEU A 63 2.551 6.665 0.345 1.00 0.00 O ATOM 988 CB LEU A 63 1.124 4.615 -1.672 1.00 0.00 C ATOM 989 CG LEU A 63 -0.224 3.915 -1.433 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.283 4.401 -2.451 1.00 0.00 C ATOM 991 CD2 LEU A 63 -0.014 2.399 -1.583 1.00 0.00 C ATOM 0 H LEU A 63 2.959 6.805 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 63 0.008 6.482 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.454 4.431 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.879 4.188 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.585 4.153 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.229 3.892 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.422 5.477 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.945 4.176 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.959 1.883 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.348 2.179 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.718 2.059 -0.851 1.00 0.00 H new ATOM 1003 N LYS A 64 0.419 6.533 0.903 1.00 0.00 N ATOM 1004 CA LYS A 64 0.698 6.854 2.341 1.00 0.00 C ATOM 1005 C LYS A 64 0.361 5.643 3.212 1.00 0.00 C ATOM 1006 O LYS A 64 -0.683 5.039 3.073 1.00 0.00 O ATOM 1007 CB LYS A 64 -0.170 8.038 2.772 1.00 0.00 C ATOM 1008 CG LYS A 64 0.257 9.296 2.011 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.323 10.532 2.701 1.00 0.00 C ATOM 1010 CE LYS A 64 -0.205 11.741 1.771 1.00 0.00 C ATOM 1011 NZ LYS A 64 1.228 11.971 1.434 1.00 0.00 N ATOM 0 H LYS A 64 -0.565 6.376 0.683 1.00 0.00 H new ATOM 0 HA LYS A 64 1.752 7.105 2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.220 7.822 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.073 8.200 3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.344 9.362 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.091 9.245 0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.368 10.360 2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.209 10.724 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.781 11.571 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.623 12.625 2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.462 12.974 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.828 11.383 2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.396 11.717 0.440 1.00 0.00 H new ATOM 1025 N ILE A 65 1.237 5.285 4.116 1.00 0.00 N ATOM 1026 CA ILE A 65 0.964 4.114 5.004 1.00 0.00 C ATOM 1027 C ILE A 65 0.286 4.597 6.285 1.00 0.00 C ATOM 1028 O ILE A 65 0.638 5.621 6.837 1.00 0.00 O ATOM 1029 CB ILE A 65 2.276 3.415 5.369 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.306 4.450 5.831 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.820 2.669 4.151 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.575 3.737 6.309 1.00 0.00 C ATOM 0 H ILE A 65 2.129 5.752 4.278 1.00 0.00 H new ATOM 0 HA ILE A 65 0.315 3.414 4.478 1.00 0.00 H new ATOM 0 HB ILE A 65 2.088 2.707 6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.545 5.130 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.891 5.055 6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.754 2.173 4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.093 1.925 3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.001 3.377 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.306 4.476 6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.330 3.076 7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.994 3.151 5.491 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.683 3.859 6.766 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.395 4.250 8.023 1.00 0.00 C ATOM 1046 C ARG A 66 -1.039 3.247 9.120 1.00 0.00 C ATOM 1047 O ARG A 66 -1.029 3.570 10.291 1.00 0.00 O ATOM 1048 CB ARG A 66 -2.905 4.224 7.779 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.635 4.659 9.050 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.113 4.884 8.737 1.00 0.00 C ATOM 1051 NE ARG A 66 -5.790 5.474 9.927 1.00 0.00 N ATOM 1052 CZ ARG A 66 -5.674 6.750 10.177 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -4.969 7.509 9.384 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -6.265 7.266 11.219 1.00 0.00 N ATOM 0 H ARG A 66 -1.015 2.994 6.338 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.096 5.254 8.326 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.162 4.888 6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.220 3.221 7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.528 3.897 9.822 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.192 5.575 9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.217 5.549 7.880 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.586 3.940 8.467 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.343 4.881 10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.508 7.105 8.568 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.879 8.506 9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.817 6.673 11.838 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.175 8.263 11.415 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.741 2.031 8.745 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.379 1.002 9.761 1.00 0.00 C ATOM 1070 C ASN A 67 0.067 -0.283 9.054 1.00 0.00 C ATOM 1071 O ASN A 67 -0.745 -1.068 8.604 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.598 0.700 10.639 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.271 -0.454 11.590 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -0.708 -0.246 12.646 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -1.603 -1.671 11.257 1.00 0.00 N ATOM 0 H ASN A 67 -0.733 1.707 7.778 1.00 0.00 H new ATOM 0 HA ASN A 67 0.435 1.378 10.381 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.877 1.586 11.209 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.453 0.440 10.015 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.390 -2.447 11.883 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.076 -1.846 10.370 1.00 0.00 H new ATOM 1082 N ALA A 68 1.353 -0.505 8.955 1.00 0.00 N ATOM 1083 CA ALA A 68 1.846 -1.743 8.286 1.00 0.00 C ATOM 1084 C ALA A 68 1.783 -2.915 9.267 1.00 0.00 C ATOM 1085 O ALA A 68 1.834 -2.734 10.468 1.00 0.00 O ATOM 1086 CB ALA A 68 3.293 -1.546 7.833 1.00 0.00 C ATOM 0 H ALA A 68 2.080 0.117 9.308 1.00 0.00 H new ATOM 0 HA ALA A 68 1.219 -1.954 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.648 -2.454 7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.345 -0.713 7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.919 -1.331 8.699 1.00 0.00 H new ATOM 1092 N THR A 69 1.673 -4.118 8.766 1.00 0.00 N ATOM 1093 CA THR A 69 1.611 -5.310 9.667 1.00 0.00 C ATOM 1094 C THR A 69 2.361 -6.473 9.017 1.00 0.00 C ATOM 1095 O THR A 69 2.295 -6.674 7.821 1.00 0.00 O ATOM 1096 CB THR A 69 0.149 -5.706 9.890 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.544 -4.624 10.495 1.00 0.00 O ATOM 1098 CG2 THR A 69 0.085 -6.931 10.802 1.00 0.00 C ATOM 0 H THR A 69 1.623 -4.328 7.769 1.00 0.00 H new ATOM 0 HA THR A 69 2.071 -5.068 10.625 1.00 0.00 H new ATOM 0 HB THR A 69 -0.315 -5.945 8.933 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.767 -4.855 11.421 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.956 -7.213 10.961 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.618 -7.760 10.336 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.547 -6.695 11.761 1.00 0.00 H new ATOM 1106 N HIS A 70 3.078 -7.237 9.795 1.00 0.00 N ATOM 1107 CA HIS A 70 3.838 -8.384 9.221 1.00 0.00 C ATOM 1108 C HIS A 70 2.869 -9.499 8.819 1.00 0.00 C ATOM 1109 O HIS A 70 3.055 -10.648 9.170 1.00 0.00 O ATOM 1110 CB HIS A 70 4.820 -8.917 10.266 1.00 0.00 C ATOM 1111 CG HIS A 70 5.821 -7.847 10.604 1.00 0.00 C ATOM 1112 ND1 HIS A 70 6.087 -6.785 9.751 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.631 -7.661 11.697 1.00 0.00 C ATOM 1114 CE1 HIS A 70 7.020 -6.014 10.340 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.384 -6.505 11.526 1.00 0.00 N ATOM 0 H HIS A 70 3.171 -7.117 10.804 1.00 0.00 H new ATOM 0 HA HIS A 70 4.386 -8.048 8.340 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.282 -9.223 11.163 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.331 -9.800 9.883 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.676 -8.313 12.557 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.424 -5.111 9.907 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.070 -6.114 12.171 1.00 0.00 H new ATOM 1124 N TYR A 71 1.840 -9.174 8.085 1.00 0.00 N ATOM 1125 CA TYR A 71 0.870 -10.222 7.665 1.00 0.00 C ATOM 1126 C TYR A 71 0.421 -11.020 8.892 1.00 0.00 C ATOM 1127 O TYR A 71 0.560 -12.225 8.946 1.00 0.00 O ATOM 1128 CB TYR A 71 1.539 -11.159 6.654 1.00 0.00 C ATOM 1129 CG TYR A 71 0.607 -12.303 6.323 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.558 -12.063 5.587 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.907 -13.605 6.751 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.423 -13.119 5.278 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.042 -14.661 6.442 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.123 -14.418 5.706 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.976 -15.460 5.401 1.00 0.00 O ATOM 0 H TYR A 71 1.630 -8.230 7.759 1.00 0.00 H new ATOM 0 HA TYR A 71 0.001 -9.754 7.202 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.792 -10.610 5.747 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.472 -11.545 7.064 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.790 -11.061 5.257 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.806 -13.793 7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.322 -12.932 4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.274 -15.663 6.772 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.619 -16.294 5.772 1.00 0.00 H new ATOM 1145 N SER A 72 -0.116 -10.354 9.878 1.00 0.00 N ATOM 1146 CA SER A 72 -0.574 -11.070 11.102 1.00 0.00 C ATOM 1147 C SER A 72 -1.974 -11.639 10.865 1.00 0.00 C ATOM 1148 O SER A 72 -2.852 -10.965 10.364 1.00 0.00 O ATOM 1149 CB SER A 72 -0.614 -10.094 12.278 1.00 0.00 C ATOM 1150 OG SER A 72 0.703 -9.637 12.555 1.00 0.00 O ATOM 0 H SER A 72 -0.257 -9.344 9.888 1.00 0.00 H new ATOM 0 HA SER A 72 0.116 -11.883 11.327 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.262 -9.250 12.043 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.034 -10.583 13.157 1.00 0.00 H new ATOM 0 HG SER A 72 0.680 -9.010 13.308 1.00 0.00 H new ATOM 1156 N SER A 73 -2.190 -12.876 11.221 1.00 0.00 N ATOM 1157 CA SER A 73 -3.533 -13.487 11.014 1.00 0.00 C ATOM 1158 C SER A 73 -4.609 -12.560 11.586 1.00 0.00 C ATOM 1159 O SER A 73 -5.786 -12.740 11.350 1.00 0.00 O ATOM 1160 CB SER A 73 -3.595 -14.838 11.727 1.00 0.00 C ATOM 1161 OG SER A 73 -3.399 -14.642 13.122 1.00 0.00 O ATOM 0 H SER A 73 -1.495 -13.489 11.646 1.00 0.00 H new ATOM 0 HA SER A 73 -3.705 -13.631 9.947 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.559 -15.314 11.547 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.831 -15.507 11.331 1.00 0.00 H new ATOM 0 HG SER A 73 -4.156 -14.140 13.491 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.213 -11.569 12.339 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.214 -10.635 12.925 1.00 0.00 C ATOM 1169 C GLU A 74 -5.672 -9.638 11.858 1.00 0.00 C ATOM 1170 O GLU A 74 -6.851 -9.448 11.638 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.578 -9.875 14.093 1.00 0.00 C ATOM 1172 CG GLU A 74 -4.451 -10.807 15.300 1.00 0.00 C ATOM 1173 CD GLU A 74 -3.613 -12.027 14.917 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.472 -11.841 14.529 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -4.128 -13.129 15.017 1.00 0.00 O ATOM 0 H GLU A 74 -3.241 -11.367 12.573 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.073 -11.202 13.283 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.596 -9.500 13.805 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.187 -9.009 14.352 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.985 -10.280 16.133 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.439 -11.122 15.635 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.748 -8.998 11.195 1.00 0.00 N ATOM 1183 CA ARG A 75 -5.131 -8.013 10.145 1.00 0.00 C ATOM 1184 C ARG A 75 -5.701 -8.751 8.930 1.00 0.00 C ATOM 1185 O ARG A 75 -6.566 -8.251 8.239 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.892 -7.207 9.728 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.609 -6.118 10.768 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.532 -6.743 12.164 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.864 -5.792 13.096 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.886 -6.013 14.382 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -3.495 -7.068 14.851 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.301 -5.181 15.198 1.00 0.00 N ATOM 0 H ARG A 75 -3.744 -9.115 11.335 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.889 -7.336 10.539 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.030 -7.868 9.636 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.053 -6.755 8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.672 -5.613 10.533 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.394 -5.363 10.740 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.533 -6.980 12.524 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.978 -7.681 12.125 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.389 -4.967 12.729 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.953 -7.718 14.213 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.513 -7.242 15.856 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.826 -4.356 14.831 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.319 -5.355 16.203 1.00 0.00 H new ATOM 1206 N TRP A 76 -5.225 -9.936 8.664 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.742 -10.698 7.493 1.00 0.00 C ATOM 1208 C TRP A 76 -7.161 -11.191 7.791 1.00 0.00 C ATOM 1209 O TRP A 76 -8.067 -11.015 7.000 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.824 -11.894 7.217 1.00 0.00 C ATOM 1211 CG TRP A 76 -5.418 -12.752 6.144 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.830 -14.029 6.313 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.673 -12.421 4.747 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -6.322 -14.504 5.111 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -6.246 -13.550 4.115 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.464 -11.264 3.975 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -6.600 -13.532 2.766 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -5.820 -11.242 2.616 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.386 -12.374 2.013 1.00 0.00 C ATOM 0 H TRP A 76 -4.502 -10.409 9.206 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.763 -10.051 6.616 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.838 -11.544 6.911 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.687 -12.477 8.128 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -5.783 -14.587 7.236 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -6.695 -15.444 4.976 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.027 -10.387 4.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -7.036 -14.407 2.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.657 -10.348 2.033 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -6.656 -12.351 0.968 1.00 0.00 H new ATOM 1230 N THR A 77 -7.362 -11.809 8.922 1.00 0.00 N ATOM 1231 CA THR A 77 -8.722 -12.310 9.263 1.00 0.00 C ATOM 1232 C THR A 77 -9.631 -11.128 9.604 1.00 0.00 C ATOM 1233 O THR A 77 -10.836 -11.201 9.468 1.00 0.00 O ATOM 1234 CB THR A 77 -8.630 -13.249 10.468 1.00 0.00 C ATOM 1235 OG1 THR A 77 -8.131 -12.533 11.588 1.00 0.00 O ATOM 1236 CG2 THR A 77 -7.689 -14.411 10.140 1.00 0.00 C ATOM 0 H THR A 77 -6.644 -11.988 9.624 1.00 0.00 H new ATOM 0 HA THR A 77 -9.135 -12.850 8.411 1.00 0.00 H new ATOM 0 HB THR A 77 -9.620 -13.641 10.701 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.210 -12.812 11.771 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.624 -15.080 10.998 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.075 -14.960 9.281 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.698 -14.022 9.907 1.00 0.00 H new ATOM 1244 N ASN A 78 -9.064 -10.036 10.043 1.00 0.00 N ATOM 1245 CA ASN A 78 -9.894 -8.846 10.390 1.00 0.00 C ATOM 1246 C ASN A 78 -10.115 -8.000 9.136 1.00 0.00 C ATOM 1247 O ASN A 78 -11.092 -7.287 9.020 1.00 0.00 O ATOM 1248 CB ASN A 78 -9.169 -8.010 11.447 1.00 0.00 C ATOM 1249 CG ASN A 78 -10.053 -6.832 11.861 1.00 0.00 C ATOM 1250 OD1 ASN A 78 -10.749 -6.901 12.855 1.00 0.00 O ATOM 1251 ND2 ASN A 78 -10.057 -5.747 11.136 1.00 0.00 N ATOM 0 H ASN A 78 -8.060 -9.917 10.176 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.856 -9.174 10.783 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.935 -8.626 12.315 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.221 -7.645 11.050 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.644 -4.957 11.404 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.473 -5.689 10.302 1.00 0.00 H new ATOM 1258 N ALA A 79 -9.215 -8.074 8.194 1.00 0.00 N ATOM 1259 CA ALA A 79 -9.375 -7.274 6.947 1.00 0.00 C ATOM 1260 C ALA A 79 -10.382 -7.964 6.025 1.00 0.00 C ATOM 1261 O ALA A 79 -11.404 -7.408 5.679 1.00 0.00 O ATOM 1262 CB ALA A 79 -8.026 -7.161 6.235 1.00 0.00 C ATOM 0 H ALA A 79 -8.376 -8.653 8.234 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.736 -6.277 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.144 -6.576 5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.308 -6.669 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.663 -8.157 5.982 1.00 0.00 H new ATOM 1268 N ASP A 80 -10.100 -9.174 5.625 1.00 0.00 N ATOM 1269 CA ASP A 80 -11.041 -9.899 4.725 1.00 0.00 C ATOM 1270 C ASP A 80 -12.451 -9.853 5.320 1.00 0.00 C ATOM 1271 O ASP A 80 -13.435 -9.977 4.619 1.00 0.00 O ATOM 1272 CB ASP A 80 -10.595 -11.356 4.586 1.00 0.00 C ATOM 1273 CG ASP A 80 -11.502 -12.074 3.586 1.00 0.00 C ATOM 1274 OD1 ASP A 80 -12.637 -12.351 3.938 1.00 0.00 O ATOM 1275 OD2 ASP A 80 -11.046 -12.337 2.485 1.00 0.00 O ATOM 0 H ASP A 80 -9.259 -9.691 5.882 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.043 -9.425 3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.559 -11.400 4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.637 -11.854 5.554 1.00 0.00 H new ATOM 1280 N LYS A 81 -12.556 -9.674 6.608 1.00 0.00 N ATOM 1281 CA LYS A 81 -13.901 -9.619 7.246 1.00 0.00 C ATOM 1282 C LYS A 81 -13.765 -9.108 8.682 1.00 0.00 C ATOM 1283 O LYS A 81 -14.648 -8.388 9.121 1.00 0.00 O ATOM 1284 CB LYS A 81 -14.517 -11.020 7.261 1.00 0.00 C ATOM 1285 CG LYS A 81 -13.584 -11.979 8.003 1.00 0.00 C ATOM 1286 CD LYS A 81 -14.136 -13.403 7.909 1.00 0.00 C ATOM 1287 CE LYS A 81 -13.395 -14.304 8.898 1.00 0.00 C ATOM 1288 NZ LYS A 81 -13.828 -13.980 10.286 1.00 0.00 N ATOM 0 H LYS A 81 -11.768 -9.563 7.246 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.543 -8.945 6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.492 -10.995 7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.678 -11.369 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.584 -11.936 7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.494 -11.681 9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.204 -13.406 8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.018 -13.784 6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.601 -15.351 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.319 -14.163 8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.637 -14.792 10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.303 -13.150 10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.847 -13.772 10.292 1.00 0.00 H new TER 1302 LYS A 81