USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 848 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 95 CYS SG : rot 30:sc= 0.0808 USER MOD Set 1.2: A 96 HIS : no HD1:sc= -0.0905 K(o=-0.0096,f=-6.7!) USER MOD Set 2.1: A 79 SER OG : rot -66:sc= -1.11 USER MOD Set 2.2: A 82 GLN : amide:sc= -2.24! K(o=-3.4!,f=-1.6) USER MOD Set 3.1: A 42 CYS SG : rot -92:sc= -0.565 USER MOD Set 3.2: A 44 SER OG : rot -97:sc= 1.49 USER MOD Set 3.3: A 58 HIS : no HD1:sc= 1.66 K(o=2.6,f=-4.3!) USER MOD Set 4.1: A 28 THR OG1 : rot 73:sc= 0.38! USER MOD Set 4.2: A 100 ASN : amide:sc= 0.349 K(o=0.73,f=-2.6!) USER MOD Single : A 1 GLN : amide:sc= -1.55! K(o=-1.6!,f=-0.053) USER MOD Single : A 1 GLN N :NH3+ -132:sc= 0.0658 (180deg=-0.0891) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0619 USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 0.385 (180deg=0.286) USER MOD Single : A 11 THR OG1 : rot -75:sc= 1.2 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0029) USER MOD Single : A 24 ASN : amide:sc= -1.6 K(o=-1.6,f=-4!) USER MOD Single : A 34 SER OG : rot 112:sc= 1.24 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0907 USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= -0.0395 (180deg=-0.196) USER MOD Single : A 41 TYR OH : rot -127:sc= 1.24 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0518 X(o=-0.052,f=-0.025) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= -0.032 (180deg=-0.175) USER MOD Single : A 55 ASN : amide:sc= -0.0146 K(o=-0.015,f=-3.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0507) USER MOD Single : A 66 SER OG : rot -60:sc= 0.0312 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.176 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00402 USER MOD Single : A 73 SER OG : rot 55:sc= 0.0113 USER MOD Single : A 75 THR OG1 : rot 94:sc= 0.346 USER MOD Single : A 76 GLN : amide:sc= -1.35 K(o=-1.4,f=-2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.344 K(o=-0.34,f=-1.3) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -123:sc= 1.27 USER MOD Single : A 88 SER OG : rot 26:sc= 1.24 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 56:sc= 0.512 USER MOD Single : A 102 CYS SG : rot -48:sc= -0.614 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.00192 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0265) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.251 -8.934 -12.277 1.00 0.00 N ATOM 2 CA GLN A 1 3.429 -7.504 -12.616 1.00 0.00 C ATOM 3 C GLN A 1 4.613 -6.923 -11.857 1.00 0.00 C ATOM 4 O GLN A 1 5.115 -7.534 -10.913 1.00 0.00 O ATOM 5 CB GLN A 1 2.168 -6.702 -12.287 1.00 0.00 C ATOM 6 CG GLN A 1 0.914 -7.211 -12.980 1.00 0.00 C ATOM 7 CD GLN A 1 -0.274 -6.283 -12.807 1.00 0.00 C ATOM 8 OE1 GLN A 1 -1.421 -6.728 -12.733 1.00 0.00 O ATOM 9 NE2 GLN A 1 -0.013 -4.986 -12.770 1.00 0.00 N ATOM 0 H1 GLN A 1 3.137 -9.486 -13.151 1.00 0.00 H new ATOM 0 H2 GLN A 1 4.086 -9.275 -11.759 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.405 -9.047 -11.683 1.00 0.00 H new ATOM 0 HA GLN A 1 3.618 -7.436 -13.687 1.00 0.00 H new ATOM 0 HB2 GLN A 1 2.008 -6.721 -11.209 1.00 0.00 H new ATOM 0 HB3 GLN A 1 2.328 -5.661 -12.567 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.118 -7.337 -14.043 1.00 0.00 H new ATOM 0 HG3 GLN A 1 0.661 -8.195 -12.585 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.951 -4.658 -12.834 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -0.775 -4.315 -12.677 1.00 0.00 H new ATOM 20 N ALA A 2 5.039 -5.736 -12.267 1.00 0.00 N ATOM 21 CA ALA A 2 6.169 -5.053 -11.652 1.00 0.00 C ATOM 22 C ALA A 2 6.046 -3.560 -11.908 1.00 0.00 C ATOM 23 O ALA A 2 6.881 -2.951 -12.579 1.00 0.00 O ATOM 24 CB ALA A 2 7.483 -5.590 -12.201 1.00 0.00 C ATOM 0 H ALA A 2 4.611 -5.219 -13.035 1.00 0.00 H new ATOM 0 HA ALA A 2 6.162 -5.234 -10.577 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.315 -5.067 -11.729 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.557 -6.657 -11.989 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.519 -5.431 -13.279 1.00 0.00 H new ATOM 30 N GLU A 3 4.981 -2.986 -11.380 1.00 0.00 N ATOM 31 CA GLU A 3 4.634 -1.604 -11.669 1.00 0.00 C ATOM 32 C GLU A 3 5.255 -0.666 -10.643 1.00 0.00 C ATOM 33 O GLU A 3 6.018 -1.102 -9.781 1.00 0.00 O ATOM 34 CB GLU A 3 3.112 -1.431 -11.663 1.00 0.00 C ATOM 35 CG GLU A 3 2.347 -2.594 -12.279 1.00 0.00 C ATOM 36 CD GLU A 3 2.850 -2.977 -13.655 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.650 -2.199 -14.604 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.437 -4.070 -13.789 1.00 0.00 O ATOM 0 H GLU A 3 4.337 -3.457 -10.745 1.00 0.00 H new ATOM 0 HA GLU A 3 5.025 -1.355 -12.656 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.778 -1.295 -10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.860 -0.519 -12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.420 -3.458 -11.619 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.291 -2.332 -12.345 1.00 0.00 H new ATOM 45 N GLU A 4 4.933 0.618 -10.745 1.00 0.00 N ATOM 46 CA GLU A 4 5.367 1.597 -9.753 1.00 0.00 C ATOM 47 C GLU A 4 4.886 1.195 -8.362 1.00 0.00 C ATOM 48 O GLU A 4 5.672 1.100 -7.423 1.00 0.00 O ATOM 49 CB GLU A 4 4.830 2.990 -10.097 1.00 0.00 C ATOM 50 CG GLU A 4 5.429 3.594 -11.358 1.00 0.00 C ATOM 51 CD GLU A 4 6.920 3.834 -11.238 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.341 4.560 -10.315 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.680 3.307 -12.076 1.00 0.00 O ATOM 0 H GLU A 4 4.373 1.006 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 4 6.457 1.625 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.748 2.931 -10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.024 3.659 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.238 2.929 -12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.929 4.538 -11.577 1.00 0.00 H new ATOM 60 N TRP A 5 3.587 0.945 -8.249 1.00 0.00 N ATOM 61 CA TRP A 5 2.974 0.612 -6.966 1.00 0.00 C ATOM 62 C TRP A 5 3.364 -0.787 -6.493 1.00 0.00 C ATOM 63 O TRP A 5 3.553 -1.014 -5.299 1.00 0.00 O ATOM 64 CB TRP A 5 1.445 0.750 -7.039 1.00 0.00 C ATOM 65 CG TRP A 5 0.835 0.303 -8.337 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.689 1.053 -9.471 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.259 -0.980 -8.631 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.077 0.313 -10.451 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.202 -0.935 -9.961 1.00 0.00 C ATOM 70 CE3 TRP A 5 0.093 -2.163 -7.905 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.817 -2.024 -10.574 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.520 -3.241 -8.514 1.00 0.00 C ATOM 73 CH2 TRP A 5 -0.967 -3.165 -9.837 1.00 0.00 C ATOM 0 H TRP A 5 2.935 0.966 -9.033 1.00 0.00 H new ATOM 0 HA TRP A 5 3.354 1.323 -6.233 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.003 0.172 -6.227 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.180 1.793 -6.869 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.009 2.079 -9.579 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -0.136 0.640 -11.393 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.438 -2.233 -6.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.163 -1.969 -11.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.656 -4.158 -7.959 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.441 -4.026 -10.285 1.00 0.00 H new ATOM 84 N TYR A 6 3.497 -1.713 -7.430 1.00 0.00 N ATOM 85 CA TYR A 6 3.790 -3.101 -7.091 1.00 0.00 C ATOM 86 C TYR A 6 5.294 -3.336 -7.026 1.00 0.00 C ATOM 87 O TYR A 6 5.955 -3.485 -8.053 1.00 0.00 O ATOM 88 CB TYR A 6 3.157 -4.044 -8.114 1.00 0.00 C ATOM 89 CG TYR A 6 3.141 -5.491 -7.676 1.00 0.00 C ATOM 90 CD1 TYR A 6 2.078 -5.997 -6.938 1.00 0.00 C ATOM 91 CD2 TYR A 6 4.180 -6.353 -8.005 1.00 0.00 C ATOM 92 CE1 TYR A 6 2.051 -7.318 -6.540 1.00 0.00 C ATOM 93 CE2 TYR A 6 4.160 -7.677 -7.609 1.00 0.00 C ATOM 94 CZ TYR A 6 3.094 -8.154 -6.877 1.00 0.00 C ATOM 95 OH TYR A 6 3.064 -9.472 -6.489 1.00 0.00 O ATOM 0 H TYR A 6 3.407 -1.531 -8.430 1.00 0.00 H new ATOM 0 HA TYR A 6 3.365 -3.307 -6.109 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.134 -3.721 -8.309 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.702 -3.964 -9.055 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.259 -5.345 -6.671 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.016 -5.983 -8.579 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.217 -7.695 -5.967 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.976 -8.334 -7.872 1.00 0.00 H new ATOM 0 HH TYR A 6 3.873 -9.925 -6.807 1.00 0.00 H new ATOM 105 N PHE A 7 5.827 -3.369 -5.813 1.00 0.00 N ATOM 106 CA PHE A 7 7.257 -3.588 -5.610 1.00 0.00 C ATOM 107 C PHE A 7 7.597 -5.074 -5.611 1.00 0.00 C ATOM 108 O PHE A 7 8.672 -5.475 -6.062 1.00 0.00 O ATOM 109 CB PHE A 7 7.718 -2.942 -4.301 1.00 0.00 C ATOM 110 CG PHE A 7 8.091 -1.492 -4.444 1.00 0.00 C ATOM 111 CD1 PHE A 7 7.119 -0.522 -4.627 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.420 -1.104 -4.400 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.466 0.809 -4.762 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.774 0.225 -4.535 1.00 0.00 C ATOM 115 CZ PHE A 7 8.796 1.184 -4.716 1.00 0.00 C ATOM 0 H PHE A 7 5.293 -3.247 -4.953 1.00 0.00 H new ATOM 0 HA PHE A 7 7.785 -3.120 -6.441 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.923 -3.033 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.576 -3.493 -3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.079 -0.809 -4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 7 10.189 -1.849 -4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.699 1.556 -4.903 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.814 0.514 -4.499 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.070 2.223 -4.821 1.00 0.00 H new ATOM 125 N GLY A 8 6.681 -5.887 -5.110 1.00 0.00 N ATOM 126 CA GLY A 8 6.920 -7.314 -5.033 1.00 0.00 C ATOM 127 C GLY A 8 6.742 -7.825 -3.624 1.00 0.00 C ATOM 128 O GLY A 8 6.215 -7.114 -2.774 1.00 0.00 O ATOM 0 H GLY A 8 5.774 -5.585 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.235 -7.836 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.930 -7.535 -5.377 1.00 0.00 H new ATOM 132 N LYS A 9 7.185 -9.042 -3.359 1.00 0.00 N ATOM 133 CA LYS A 9 7.028 -9.626 -2.032 1.00 0.00 C ATOM 134 C LYS A 9 8.224 -9.294 -1.135 1.00 0.00 C ATOM 135 O LYS A 9 8.924 -10.174 -0.632 1.00 0.00 O ATOM 136 CB LYS A 9 6.796 -11.142 -2.130 1.00 0.00 C ATOM 137 CG LYS A 9 7.927 -11.928 -2.768 1.00 0.00 C ATOM 138 CD LYS A 9 7.525 -13.378 -2.972 1.00 0.00 C ATOM 139 CE LYS A 9 8.738 -14.289 -3.037 1.00 0.00 C ATOM 140 NZ LYS A 9 9.470 -14.306 -1.746 1.00 0.00 N ATOM 0 H LYS A 9 7.653 -9.643 -4.037 1.00 0.00 H new ATOM 0 HA LYS A 9 6.146 -9.185 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.624 -11.533 -1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.885 -11.318 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.192 -11.481 -3.726 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.814 -11.877 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.875 -13.694 -2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.949 -13.471 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.422 -15.301 -3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.405 -13.954 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.243 -15.000 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.864 -13.362 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.817 -14.568 -0.980 1.00 0.00 H new ATOM 154 N ILE A 10 8.445 -8.000 -0.942 1.00 0.00 N ATOM 155 CA ILE A 10 9.518 -7.527 -0.082 1.00 0.00 C ATOM 156 C ILE A 10 9.139 -7.683 1.387 1.00 0.00 C ATOM 157 O ILE A 10 7.962 -7.605 1.754 1.00 0.00 O ATOM 158 CB ILE A 10 9.864 -6.047 -0.370 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.639 -5.151 -0.170 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.410 -5.896 -1.783 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.911 -3.682 -0.405 1.00 0.00 C ATOM 0 H ILE A 10 7.892 -7.258 -1.372 1.00 0.00 H new ATOM 0 HA ILE A 10 10.396 -8.136 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 10 10.632 -5.733 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.848 -5.477 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.266 -5.284 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.649 -4.849 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.312 -6.499 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.661 -6.232 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.996 -3.112 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.679 -3.339 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.255 -3.535 -1.429 1.00 0.00 H new ATOM 173 N THR A 11 10.140 -7.906 2.225 1.00 0.00 N ATOM 174 CA THR A 11 9.909 -8.118 3.645 1.00 0.00 C ATOM 175 C THR A 11 9.756 -6.788 4.373 1.00 0.00 C ATOM 176 O THR A 11 10.061 -5.735 3.808 1.00 0.00 O ATOM 177 CB THR A 11 11.049 -8.934 4.282 1.00 0.00 C ATOM 178 OG1 THR A 11 12.308 -8.294 4.036 1.00 0.00 O ATOM 179 CG2 THR A 11 11.078 -10.350 3.727 1.00 0.00 C ATOM 0 H THR A 11 11.120 -7.945 1.946 1.00 0.00 H new ATOM 0 HA THR A 11 8.983 -8.684 3.744 1.00 0.00 H new ATOM 0 HB THR A 11 10.872 -8.985 5.356 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.577 -8.448 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.892 -10.907 4.192 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.131 -10.845 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.232 -10.315 2.649 1.00 0.00 H new ATOM 187 N ARG A 12 9.296 -6.821 5.619 1.00 0.00 N ATOM 188 CA ARG A 12 9.063 -5.587 6.357 1.00 0.00 C ATOM 189 C ARG A 12 10.366 -4.811 6.532 1.00 0.00 C ATOM 190 O ARG A 12 10.388 -3.589 6.405 1.00 0.00 O ATOM 191 CB ARG A 12 8.413 -5.859 7.720 1.00 0.00 C ATOM 192 CG ARG A 12 9.324 -6.541 8.732 1.00 0.00 C ATOM 193 CD ARG A 12 8.689 -6.568 10.111 1.00 0.00 C ATOM 194 NE ARG A 12 8.293 -5.234 10.551 1.00 0.00 N ATOM 195 CZ ARG A 12 7.558 -4.990 11.632 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.270 -5.969 12.479 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.154 -3.755 11.893 1.00 0.00 N ATOM 0 H ARG A 12 9.080 -7.676 6.132 1.00 0.00 H new ATOM 0 HA ARG A 12 8.370 -4.981 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.070 -4.913 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.530 -6.480 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.536 -7.559 8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.278 -6.016 8.778 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.816 -7.220 10.096 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.392 -6.993 10.827 1.00 0.00 H new ATOM 0 HE ARG A 12 8.600 -4.437 9.993 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.613 -6.913 12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.706 -5.778 13.307 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.407 -2.992 11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.590 -3.567 12.722 1.00 0.00 H new ATOM 211 N ARG A 13 11.456 -5.539 6.774 1.00 0.00 N ATOM 212 CA ARG A 13 12.772 -4.937 6.971 1.00 0.00 C ATOM 213 C ARG A 13 13.131 -4.030 5.798 1.00 0.00 C ATOM 214 O ARG A 13 13.665 -2.933 5.978 1.00 0.00 O ATOM 215 CB ARG A 13 13.826 -6.036 7.117 1.00 0.00 C ATOM 216 CG ARG A 13 15.199 -5.531 7.520 1.00 0.00 C ATOM 217 CD ARG A 13 16.296 -6.097 6.629 1.00 0.00 C ATOM 218 NE ARG A 13 16.283 -7.563 6.566 1.00 0.00 N ATOM 219 CZ ARG A 13 17.384 -8.311 6.472 1.00 0.00 C ATOM 220 NH1 ARG A 13 18.582 -7.745 6.516 1.00 0.00 N ATOM 221 NH2 ARG A 13 17.289 -9.629 6.336 1.00 0.00 N ATOM 0 H ARG A 13 11.451 -6.557 6.839 1.00 0.00 H new ATOM 0 HA ARG A 13 12.746 -4.335 7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 13 13.483 -6.756 7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.911 -6.570 6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.215 -4.442 7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.396 -5.804 8.557 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.183 -5.694 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.265 -5.763 6.999 1.00 0.00 H new ATOM 0 HE ARG A 13 15.381 -8.037 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.665 -6.734 6.622 1.00 0.00 H new ATOM 0 HH12 ARG A 13 19.421 -8.321 6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.372 -10.073 6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.134 -10.197 6.265 1.00 0.00 H new ATOM 235 N GLU A 14 12.815 -4.495 4.597 1.00 0.00 N ATOM 236 CA GLU A 14 13.122 -3.766 3.378 1.00 0.00 C ATOM 237 C GLU A 14 12.115 -2.643 3.160 1.00 0.00 C ATOM 238 O GLU A 14 12.488 -1.497 2.908 1.00 0.00 O ATOM 239 CB GLU A 14 13.108 -4.728 2.187 1.00 0.00 C ATOM 240 CG GLU A 14 14.032 -5.922 2.371 1.00 0.00 C ATOM 241 CD GLU A 14 13.788 -7.019 1.355 1.00 0.00 C ATOM 242 OE1 GLU A 14 12.770 -7.738 1.487 1.00 0.00 O ATOM 243 OE2 GLU A 14 14.618 -7.179 0.433 1.00 0.00 O ATOM 0 H GLU A 14 12.341 -5.385 4.442 1.00 0.00 H new ATOM 0 HA GLU A 14 14.114 -3.323 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.090 -5.085 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.399 -4.186 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.067 -5.589 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.899 -6.327 3.374 1.00 0.00 H new ATOM 250 N SER A 15 10.838 -2.981 3.298 1.00 0.00 N ATOM 251 CA SER A 15 9.754 -2.040 3.050 1.00 0.00 C ATOM 252 C SER A 15 9.828 -0.837 3.996 1.00 0.00 C ATOM 253 O SER A 15 9.746 0.311 3.559 1.00 0.00 O ATOM 254 CB SER A 15 8.407 -2.750 3.206 1.00 0.00 C ATOM 255 OG SER A 15 7.328 -1.892 2.879 1.00 0.00 O ATOM 0 H SER A 15 10.527 -3.910 3.583 1.00 0.00 H new ATOM 0 HA SER A 15 9.854 -1.668 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.382 -3.630 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.296 -3.101 4.232 1.00 0.00 H new ATOM 0 HG SER A 15 6.482 -2.375 2.987 1.00 0.00 H new ATOM 261 N GLU A 16 9.993 -1.105 5.283 1.00 0.00 N ATOM 262 CA GLU A 16 9.997 -0.048 6.285 1.00 0.00 C ATOM 263 C GLU A 16 11.260 0.802 6.179 1.00 0.00 C ATOM 264 O GLU A 16 11.224 2.002 6.431 1.00 0.00 O ATOM 265 CB GLU A 16 9.862 -0.648 7.685 1.00 0.00 C ATOM 266 CG GLU A 16 8.553 -1.390 7.891 1.00 0.00 C ATOM 267 CD GLU A 16 8.503 -2.138 9.206 1.00 0.00 C ATOM 268 OE1 GLU A 16 9.269 -3.107 9.367 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.698 -1.765 10.085 1.00 0.00 O ATOM 0 H GLU A 16 10.126 -2.044 5.658 1.00 0.00 H new ATOM 0 HA GLU A 16 9.142 0.603 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.692 -1.332 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.942 0.149 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.728 -0.679 7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.407 -2.094 7.072 1.00 0.00 H new ATOM 276 N ARG A 17 12.368 0.186 5.780 1.00 0.00 N ATOM 277 CA ARG A 17 13.619 0.919 5.599 1.00 0.00 C ATOM 278 C ARG A 17 13.450 2.016 4.547 1.00 0.00 C ATOM 279 O ARG A 17 14.090 3.064 4.616 1.00 0.00 O ATOM 280 CB ARG A 17 14.752 -0.033 5.196 1.00 0.00 C ATOM 281 CG ARG A 17 16.096 0.653 4.985 1.00 0.00 C ATOM 282 CD ARG A 17 16.577 1.364 6.245 1.00 0.00 C ATOM 283 NE ARG A 17 16.795 0.436 7.356 1.00 0.00 N ATOM 284 CZ ARG A 17 17.422 0.759 8.488 1.00 0.00 C ATOM 285 NH1 ARG A 17 17.880 1.993 8.671 1.00 0.00 N ATOM 286 NH2 ARG A 17 17.587 -0.150 9.442 1.00 0.00 N ATOM 0 H ARG A 17 12.427 -0.812 5.577 1.00 0.00 H new ATOM 0 HA ARG A 17 13.881 1.384 6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.863 -0.796 5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.470 -0.547 4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.837 -0.086 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.012 1.374 4.172 1.00 0.00 H new ATOM 0 HD2 ARG A 17 17.505 1.894 6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.843 2.114 6.539 1.00 0.00 H new ATOM 0 HE ARG A 17 16.446 -0.517 7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.753 2.697 7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.359 2.236 9.538 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.234 -1.098 9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.067 0.100 10.307 1.00 0.00 H new ATOM 300 N LEU A 18 12.572 1.772 3.584 1.00 0.00 N ATOM 301 CA LEU A 18 12.298 2.746 2.537 1.00 0.00 C ATOM 302 C LEU A 18 11.340 3.830 3.031 1.00 0.00 C ATOM 303 O LEU A 18 11.525 5.015 2.743 1.00 0.00 O ATOM 304 CB LEU A 18 11.705 2.046 1.312 1.00 0.00 C ATOM 305 CG LEU A 18 12.600 0.984 0.669 1.00 0.00 C ATOM 306 CD1 LEU A 18 11.868 0.288 -0.466 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.892 1.608 0.162 1.00 0.00 C ATOM 0 H LEU A 18 12.037 0.907 3.506 1.00 0.00 H new ATOM 0 HA LEU A 18 13.239 3.221 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.764 1.578 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.468 2.801 0.562 1.00 0.00 H new ATOM 0 HG LEU A 18 12.850 0.242 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.519 -0.464 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.970 -0.193 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.589 1.021 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.515 0.837 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.660 2.371 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.428 2.063 0.995 1.00 0.00 H new ATOM 319 N LEU A 19 10.336 3.427 3.795 1.00 0.00 N ATOM 320 CA LEU A 19 9.286 4.348 4.217 1.00 0.00 C ATOM 321 C LEU A 19 9.703 5.179 5.429 1.00 0.00 C ATOM 322 O LEU A 19 9.161 6.259 5.656 1.00 0.00 O ATOM 323 CB LEU A 19 7.998 3.580 4.521 1.00 0.00 C ATOM 324 CG LEU A 19 7.459 2.718 3.373 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.169 2.030 3.793 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.233 3.559 2.125 1.00 0.00 C ATOM 0 H LEU A 19 10.224 2.472 4.136 1.00 0.00 H new ATOM 0 HA LEU A 19 9.109 5.039 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.173 2.937 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.228 4.296 4.808 1.00 0.00 H new ATOM 0 HG LEU A 19 8.201 1.956 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.796 1.421 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.361 1.394 4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.424 2.782 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.851 2.926 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.510 4.346 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.176 4.008 1.813 1.00 0.00 H new ATOM 338 N LEU A 20 10.661 4.687 6.206 1.00 0.00 N ATOM 339 CA LEU A 20 11.177 5.451 7.335 1.00 0.00 C ATOM 340 C LEU A 20 12.280 6.411 6.896 1.00 0.00 C ATOM 341 O LEU A 20 13.313 6.544 7.554 1.00 0.00 O ATOM 342 CB LEU A 20 11.683 4.531 8.457 1.00 0.00 C ATOM 343 CG LEU A 20 10.619 4.053 9.457 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.862 5.235 10.051 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.654 3.071 8.812 1.00 0.00 C ATOM 0 H LEU A 20 11.092 3.772 6.077 1.00 0.00 H new ATOM 0 HA LEU A 20 10.348 6.038 7.730 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.147 3.656 8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.463 5.056 9.008 1.00 0.00 H new ATOM 0 HG LEU A 20 11.136 3.534 10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.114 4.871 10.756 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.561 5.891 10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.369 5.789 9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.914 2.752 9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.150 3.553 7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.205 2.202 8.452 1.00 0.00 H new ATOM 357 N ASN A 21 12.055 7.065 5.766 1.00 0.00 N ATOM 358 CA ASN A 21 12.901 8.168 5.333 1.00 0.00 C ATOM 359 C ASN A 21 12.159 9.470 5.573 1.00 0.00 C ATOM 360 O ASN A 21 11.006 9.612 5.164 1.00 0.00 O ATOM 361 CB ASN A 21 13.282 8.039 3.854 1.00 0.00 C ATOM 362 CG ASN A 21 14.433 7.079 3.622 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.602 7.470 3.660 1.00 0.00 O ATOM 364 ND2 ASN A 21 14.116 5.824 3.361 1.00 0.00 N ATOM 0 H ASN A 21 11.289 6.849 5.129 1.00 0.00 H new ATOM 0 HA ASN A 21 13.827 8.150 5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.414 7.700 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.551 9.022 3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.850 5.139 3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.137 5.539 3.339 1.00 0.00 H new ATOM 371 N PRO A 22 12.810 10.430 6.249 1.00 0.00 N ATOM 372 CA PRO A 22 12.164 11.660 6.739 1.00 0.00 C ATOM 373 C PRO A 22 11.445 12.471 5.663 1.00 0.00 C ATOM 374 O PRO A 22 10.548 13.252 5.977 1.00 0.00 O ATOM 375 CB PRO A 22 13.324 12.474 7.331 1.00 0.00 C ATOM 376 CG PRO A 22 14.568 11.838 6.812 1.00 0.00 C ATOM 377 CD PRO A 22 14.236 10.392 6.603 1.00 0.00 C ATOM 0 HA PRO A 22 11.375 11.413 7.450 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.263 13.519 7.029 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.300 12.455 8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.885 12.304 5.879 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.389 11.952 7.520 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.838 9.950 5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.413 9.803 7.503 1.00 0.00 H new ATOM 385 N GLU A 23 11.817 12.291 4.402 1.00 0.00 N ATOM 386 CA GLU A 23 11.216 13.074 3.332 1.00 0.00 C ATOM 387 C GLU A 23 10.110 12.303 2.616 1.00 0.00 C ATOM 388 O GLU A 23 9.801 12.590 1.460 1.00 0.00 O ATOM 389 CB GLU A 23 12.273 13.515 2.322 1.00 0.00 C ATOM 390 CG GLU A 23 13.390 14.346 2.924 1.00 0.00 C ATOM 391 CD GLU A 23 14.362 14.841 1.875 1.00 0.00 C ATOM 392 OE1 GLU A 23 15.042 14.005 1.244 1.00 0.00 O ATOM 393 OE2 GLU A 23 14.452 16.070 1.676 1.00 0.00 O ATOM 0 H GLU A 23 12.522 11.619 4.098 1.00 0.00 H new ATOM 0 HA GLU A 23 10.771 13.955 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.704 12.631 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.789 14.091 1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.963 15.198 3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.927 13.750 3.662 1.00 0.00 H new ATOM 400 N ASN A 24 9.518 11.325 3.291 1.00 0.00 N ATOM 401 CA ASN A 24 8.365 10.625 2.736 1.00 0.00 C ATOM 402 C ASN A 24 7.110 11.475 2.898 1.00 0.00 C ATOM 403 O ASN A 24 6.692 11.778 4.017 1.00 0.00 O ATOM 404 CB ASN A 24 8.156 9.255 3.395 1.00 0.00 C ATOM 405 CG ASN A 24 8.903 8.139 2.685 1.00 0.00 C ATOM 406 OD1 ASN A 24 8.416 7.573 1.710 1.00 0.00 O ATOM 407 ND2 ASN A 24 10.077 7.793 3.184 1.00 0.00 N ATOM 0 H ASN A 24 9.812 11.001 4.212 1.00 0.00 H new ATOM 0 HA ASN A 24 8.560 10.458 1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.485 9.303 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.091 9.022 3.408 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.609 7.034 2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.451 8.285 3.995 1.00 0.00 H new ATOM 414 N PRO A 25 6.517 11.903 1.776 1.00 0.00 N ATOM 415 CA PRO A 25 5.295 12.709 1.780 1.00 0.00 C ATOM 416 C PRO A 25 4.104 11.936 2.336 1.00 0.00 C ATOM 417 O PRO A 25 4.067 10.703 2.290 1.00 0.00 O ATOM 418 CB PRO A 25 5.067 13.043 0.301 1.00 0.00 C ATOM 419 CG PRO A 25 6.359 12.743 -0.379 1.00 0.00 C ATOM 420 CD PRO A 25 6.995 11.643 0.414 1.00 0.00 C ATOM 0 HA PRO A 25 5.395 13.591 2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.256 12.445 -0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.790 14.089 0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 25 6.195 12.435 -1.412 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.999 13.625 -0.407 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.688 10.659 0.059 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.083 11.678 0.354 1.00 0.00 H new ATOM 428 N ARG A 26 3.137 12.669 2.867 1.00 0.00 N ATOM 429 CA ARG A 26 1.930 12.067 3.414 1.00 0.00 C ATOM 430 C ARG A 26 1.130 11.419 2.289 1.00 0.00 C ATOM 431 O ARG A 26 0.562 12.112 1.445 1.00 0.00 O ATOM 432 CB ARG A 26 1.104 13.142 4.142 1.00 0.00 C ATOM 433 CG ARG A 26 -0.087 12.615 4.942 1.00 0.00 C ATOM 434 CD ARG A 26 -1.313 12.374 4.069 1.00 0.00 C ATOM 435 NE ARG A 26 -1.611 13.523 3.219 1.00 0.00 N ATOM 436 CZ ARG A 26 -2.649 14.342 3.384 1.00 0.00 C ATOM 437 NH1 ARG A 26 -3.505 14.156 4.381 1.00 0.00 N ATOM 438 NH2 ARG A 26 -2.821 15.349 2.541 1.00 0.00 N ATOM 0 H ARG A 26 3.165 13.687 2.931 1.00 0.00 H new ATOM 0 HA ARG A 26 2.191 11.293 4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.762 13.688 4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.739 13.858 3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.193 11.684 5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.338 13.328 5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.148 11.495 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.173 12.159 4.703 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.978 13.713 2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.372 13.380 5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.296 14.789 4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.162 15.491 1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.612 15.982 2.658 1.00 0.00 H new ATOM 452 N GLY A 27 1.106 10.095 2.274 1.00 0.00 N ATOM 453 CA GLY A 27 0.407 9.380 1.224 1.00 0.00 C ATOM 454 C GLY A 27 1.349 8.607 0.320 1.00 0.00 C ATOM 455 O GLY A 27 1.017 8.318 -0.830 1.00 0.00 O ATOM 0 H GLY A 27 1.558 9.502 2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.308 8.690 1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.166 10.089 0.626 1.00 0.00 H new ATOM 459 N THR A 28 2.536 8.298 0.835 1.00 0.00 N ATOM 460 CA THR A 28 3.496 7.474 0.114 1.00 0.00 C ATOM 461 C THR A 28 3.177 5.999 0.328 1.00 0.00 C ATOM 462 O THR A 28 3.101 5.542 1.466 1.00 0.00 O ATOM 463 CB THR A 28 4.935 7.762 0.583 1.00 0.00 C ATOM 464 OG1 THR A 28 5.221 9.157 0.433 1.00 0.00 O ATOM 465 CG2 THR A 28 5.944 6.943 -0.211 1.00 0.00 C ATOM 0 H THR A 28 2.855 8.608 1.753 1.00 0.00 H new ATOM 0 HA THR A 28 3.422 7.716 -0.946 1.00 0.00 H new ATOM 0 HB THR A 28 5.016 7.480 1.633 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.743 9.665 1.122 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.951 7.166 0.141 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.739 5.881 -0.074 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.865 7.195 -1.269 1.00 0.00 H new ATOM 473 N PHE A 29 2.990 5.259 -0.752 1.00 0.00 N ATOM 474 CA PHE A 29 2.513 3.889 -0.641 1.00 0.00 C ATOM 475 C PHE A 29 3.322 2.925 -1.499 1.00 0.00 C ATOM 476 O PHE A 29 4.034 3.335 -2.416 1.00 0.00 O ATOM 477 CB PHE A 29 1.045 3.820 -1.060 1.00 0.00 C ATOM 478 CG PHE A 29 0.819 4.080 -2.527 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.845 5.371 -3.031 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.576 3.033 -3.400 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.634 5.611 -4.375 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.364 3.265 -4.745 1.00 0.00 C ATOM 483 CZ PHE A 29 0.393 4.557 -5.234 1.00 0.00 C ATOM 0 H PHE A 29 3.159 5.578 -1.706 1.00 0.00 H new ATOM 0 HA PHE A 29 2.629 3.589 0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.651 2.835 -0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.477 4.547 -0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.033 6.200 -2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.552 2.021 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.658 6.622 -4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.176 2.438 -5.413 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.228 4.742 -6.285 1.00 0.00 H new ATOM 493 N LEU A 30 3.208 1.646 -1.172 1.00 0.00 N ATOM 494 CA LEU A 30 3.734 0.577 -2.004 1.00 0.00 C ATOM 495 C LEU A 30 3.047 -0.728 -1.619 1.00 0.00 C ATOM 496 O LEU A 30 2.816 -0.988 -0.435 1.00 0.00 O ATOM 497 CB LEU A 30 5.264 0.446 -1.872 1.00 0.00 C ATOM 498 CG LEU A 30 5.798 -0.229 -0.599 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.308 -0.384 -0.675 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.428 0.566 0.640 1.00 0.00 C ATOM 0 H LEU A 30 2.748 1.321 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 30 3.528 0.813 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.632 -0.114 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.696 1.445 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 30 5.338 -1.214 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.671 -0.864 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.568 -0.998 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.770 0.598 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.819 0.064 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.856 1.566 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.343 0.639 0.715 1.00 0.00 H new ATOM 512 N VAL A 31 2.687 -1.530 -2.603 1.00 0.00 N ATOM 513 CA VAL A 31 2.016 -2.787 -2.325 1.00 0.00 C ATOM 514 C VAL A 31 2.976 -3.958 -2.474 1.00 0.00 C ATOM 515 O VAL A 31 3.551 -4.193 -3.541 1.00 0.00 O ATOM 516 CB VAL A 31 0.751 -2.990 -3.198 1.00 0.00 C ATOM 517 CG1 VAL A 31 1.021 -2.666 -4.651 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.203 -4.405 -3.059 1.00 0.00 C ATOM 0 H VAL A 31 2.845 -1.337 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 31 1.679 -2.745 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.005 -2.295 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.112 -2.820 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.337 -1.627 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.808 -3.318 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.684 -4.515 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.961 -5.121 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.061 -4.592 -2.018 1.00 0.00 H new ATOM 528 N ARG A 32 3.159 -4.665 -1.375 1.00 0.00 N ATOM 529 CA ARG A 32 4.052 -5.803 -1.332 1.00 0.00 C ATOM 530 C ARG A 32 3.264 -7.090 -1.130 1.00 0.00 C ATOM 531 O ARG A 32 2.205 -7.086 -0.504 1.00 0.00 O ATOM 532 CB ARG A 32 5.081 -5.622 -0.211 1.00 0.00 C ATOM 533 CG ARG A 32 4.469 -5.353 1.153 1.00 0.00 C ATOM 534 CD ARG A 32 5.537 -5.232 2.224 1.00 0.00 C ATOM 535 NE ARG A 32 4.959 -4.994 3.543 1.00 0.00 N ATOM 536 CZ ARG A 32 5.113 -5.816 4.580 1.00 0.00 C ATOM 537 NH1 ARG A 32 5.838 -6.926 4.450 1.00 0.00 N ATOM 538 NH2 ARG A 32 4.546 -5.530 5.745 1.00 0.00 N ATOM 0 H ARG A 32 2.693 -4.466 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 32 4.580 -5.870 -2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.698 -6.518 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.743 -4.796 -0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.883 -4.435 1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.782 -6.159 1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.133 -6.145 2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.214 -4.416 1.971 1.00 0.00 H new ATOM 0 HE ARG A 32 4.405 -4.149 3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.276 -7.147 3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.955 -7.555 5.245 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.991 -4.680 5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.665 -6.160 6.538 1.00 0.00 H new ATOM 552 N GLU A 33 3.775 -8.179 -1.680 1.00 0.00 N ATOM 553 CA GLU A 33 3.138 -9.481 -1.558 1.00 0.00 C ATOM 554 C GLU A 33 3.548 -10.131 -0.238 1.00 0.00 C ATOM 555 O GLU A 33 4.722 -10.098 0.140 1.00 0.00 O ATOM 556 CB GLU A 33 3.524 -10.358 -2.759 1.00 0.00 C ATOM 557 CG GLU A 33 2.810 -11.701 -2.815 1.00 0.00 C ATOM 558 CD GLU A 33 3.004 -12.397 -4.147 1.00 0.00 C ATOM 559 OE1 GLU A 33 4.153 -12.761 -4.474 1.00 0.00 O ATOM 560 OE2 GLU A 33 2.010 -12.566 -4.888 1.00 0.00 O ATOM 0 H GLU A 33 4.639 -8.187 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 33 2.054 -9.366 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.312 -9.809 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.600 -10.533 -2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.181 -12.341 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.745 -11.552 -2.636 1.00 0.00 H new ATOM 567 N SER A 34 2.577 -10.695 0.468 1.00 0.00 N ATOM 568 CA SER A 34 2.816 -11.242 1.797 1.00 0.00 C ATOM 569 C SER A 34 3.592 -12.557 1.732 1.00 0.00 C ATOM 570 O SER A 34 3.243 -13.473 0.985 1.00 0.00 O ATOM 571 CB SER A 34 1.487 -11.437 2.531 1.00 0.00 C ATOM 572 OG SER A 34 0.765 -10.219 2.603 1.00 0.00 O ATOM 0 H SER A 34 1.615 -10.786 0.142 1.00 0.00 H new ATOM 0 HA SER A 34 3.427 -10.529 2.350 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.889 -12.189 2.016 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.674 -11.813 3.537 1.00 0.00 H new ATOM 0 HG SER A 34 -0.039 -10.282 2.046 1.00 0.00 H new ATOM 578 N GLU A 35 4.654 -12.633 2.527 1.00 0.00 N ATOM 579 CA GLU A 35 5.512 -13.811 2.583 1.00 0.00 C ATOM 580 C GLU A 35 4.894 -14.912 3.438 1.00 0.00 C ATOM 581 O GLU A 35 5.287 -16.073 3.350 1.00 0.00 O ATOM 582 CB GLU A 35 6.878 -13.425 3.156 1.00 0.00 C ATOM 583 CG GLU A 35 7.741 -12.620 2.200 1.00 0.00 C ATOM 584 CD GLU A 35 8.427 -13.491 1.166 1.00 0.00 C ATOM 585 OE1 GLU A 35 7.727 -14.159 0.374 1.00 0.00 O ATOM 586 OE2 GLU A 35 9.675 -13.512 1.135 1.00 0.00 O ATOM 0 H GLU A 35 4.944 -11.880 3.151 1.00 0.00 H new ATOM 0 HA GLU A 35 5.627 -14.193 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.728 -12.848 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.413 -14.332 3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.123 -11.879 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.494 -12.073 2.768 1.00 0.00 H new ATOM 593 N THR A 36 3.939 -14.541 4.278 1.00 0.00 N ATOM 594 CA THR A 36 3.328 -15.488 5.197 1.00 0.00 C ATOM 595 C THR A 36 1.824 -15.624 4.970 1.00 0.00 C ATOM 596 O THR A 36 1.120 -16.258 5.761 1.00 0.00 O ATOM 597 CB THR A 36 3.588 -15.063 6.650 1.00 0.00 C ATOM 598 OG1 THR A 36 3.384 -13.651 6.783 1.00 0.00 O ATOM 599 CG2 THR A 36 5.001 -15.419 7.076 1.00 0.00 C ATOM 0 H THR A 36 3.571 -13.592 4.342 1.00 0.00 H new ATOM 0 HA THR A 36 3.786 -16.459 5.006 1.00 0.00 H new ATOM 0 HB THR A 36 2.890 -15.597 7.295 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.549 -13.383 7.711 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.159 -15.107 8.108 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.145 -16.497 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.715 -14.909 6.430 1.00 0.00 H new ATOM 607 N THR A 37 1.329 -15.039 3.891 1.00 0.00 N ATOM 608 CA THR A 37 -0.091 -15.088 3.589 1.00 0.00 C ATOM 609 C THR A 37 -0.327 -14.948 2.089 1.00 0.00 C ATOM 610 O THR A 37 0.138 -13.997 1.466 1.00 0.00 O ATOM 611 CB THR A 37 -0.864 -13.977 4.336 1.00 0.00 C ATOM 612 OG1 THR A 37 -0.644 -14.092 5.752 1.00 0.00 O ATOM 613 CG2 THR A 37 -2.357 -14.062 4.047 1.00 0.00 C ATOM 0 H THR A 37 1.889 -14.525 3.211 1.00 0.00 H new ATOM 0 HA THR A 37 -0.461 -16.057 3.925 1.00 0.00 H new ATOM 0 HB THR A 37 -0.495 -13.014 3.984 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.136 -13.384 6.218 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.877 -13.269 4.585 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.528 -13.947 2.977 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.736 -15.031 4.373 1.00 0.00 H new ATOM 621 N LYS A 38 -1.027 -15.908 1.509 1.00 0.00 N ATOM 622 CA LYS A 38 -1.417 -15.815 0.113 1.00 0.00 C ATOM 623 C LYS A 38 -2.889 -15.446 0.004 1.00 0.00 C ATOM 624 O LYS A 38 -3.721 -15.942 0.764 1.00 0.00 O ATOM 625 CB LYS A 38 -1.128 -17.121 -0.628 1.00 0.00 C ATOM 626 CG LYS A 38 0.357 -17.376 -0.843 1.00 0.00 C ATOM 627 CD LYS A 38 1.022 -16.190 -1.526 1.00 0.00 C ATOM 628 CE LYS A 38 2.494 -16.445 -1.811 1.00 0.00 C ATOM 629 NZ LYS A 38 3.247 -16.830 -0.587 1.00 0.00 N ATOM 0 H LYS A 38 -1.336 -16.758 1.981 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.825 -15.030 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.554 -17.952 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.630 -17.100 -1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.839 -17.565 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.492 -18.272 -1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.505 -15.974 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.923 -15.307 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.586 -17.236 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.939 -15.548 -2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.267 -16.828 -0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.045 -16.149 0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.956 -17.782 -0.285 1.00 0.00 H new ATOM 643 N GLY A 39 -3.202 -14.566 -0.932 1.00 0.00 N ATOM 644 CA GLY A 39 -4.554 -14.064 -1.055 1.00 0.00 C ATOM 645 C GLY A 39 -4.715 -12.739 -0.341 1.00 0.00 C ATOM 646 O GLY A 39 -5.829 -12.235 -0.180 1.00 0.00 O ATOM 0 H GLY A 39 -2.542 -14.189 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.806 -13.945 -2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.253 -14.790 -0.641 1.00 0.00 H new ATOM 650 N ALA A 40 -3.591 -12.181 0.090 1.00 0.00 N ATOM 651 CA ALA A 40 -3.579 -10.908 0.787 1.00 0.00 C ATOM 652 C ALA A 40 -2.272 -10.175 0.529 1.00 0.00 C ATOM 653 O ALA A 40 -1.192 -10.687 0.819 1.00 0.00 O ATOM 654 CB ALA A 40 -3.780 -11.113 2.282 1.00 0.00 C ATOM 0 H ALA A 40 -2.668 -12.598 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.402 -10.302 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.768 -10.147 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.739 -11.602 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.978 -11.738 2.675 1.00 0.00 H new ATOM 660 N TYR A 41 -2.374 -8.988 -0.035 1.00 0.00 N ATOM 661 CA TYR A 41 -1.210 -8.152 -0.267 1.00 0.00 C ATOM 662 C TYR A 41 -1.135 -7.076 0.802 1.00 0.00 C ATOM 663 O TYR A 41 -2.100 -6.848 1.524 1.00 0.00 O ATOM 664 CB TYR A 41 -1.271 -7.530 -1.665 1.00 0.00 C ATOM 665 CG TYR A 41 -1.020 -8.533 -2.768 1.00 0.00 C ATOM 666 CD1 TYR A 41 -2.011 -9.419 -3.175 1.00 0.00 C ATOM 667 CD2 TYR A 41 0.219 -8.608 -3.384 1.00 0.00 C ATOM 668 CE1 TYR A 41 -1.770 -10.347 -4.168 1.00 0.00 C ATOM 669 CE2 TYR A 41 0.469 -9.537 -4.373 1.00 0.00 C ATOM 670 CZ TYR A 41 -0.528 -10.405 -4.763 1.00 0.00 C ATOM 671 OH TYR A 41 -0.275 -11.339 -5.740 1.00 0.00 O ATOM 0 H TYR A 41 -3.256 -8.578 -0.343 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.310 -8.764 -0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.250 -7.074 -1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.534 -6.730 -1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.984 -9.381 -2.707 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.002 -7.928 -3.085 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.552 -11.025 -4.478 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.442 -9.584 -4.840 1.00 0.00 H new ATOM 0 HH TYR A 41 0.531 -11.846 -5.507 1.00 0.00 H new ATOM 681 N CYS A 42 0.003 -6.427 0.925 1.00 0.00 N ATOM 682 CA CYS A 42 0.157 -5.399 1.933 1.00 0.00 C ATOM 683 C CYS A 42 0.426 -4.048 1.288 1.00 0.00 C ATOM 684 O CYS A 42 1.475 -3.834 0.680 1.00 0.00 O ATOM 685 CB CYS A 42 1.282 -5.764 2.903 1.00 0.00 C ATOM 686 SG CYS A 42 1.380 -4.693 4.356 1.00 0.00 S ATOM 0 H CYS A 42 0.827 -6.590 0.347 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.774 -5.329 2.495 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.143 -6.794 3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.233 -5.725 2.371 1.00 0.00 H new ATOM 0 HG CYS A 42 2.203 -3.715 4.119 1.00 0.00 H new ATOM 692 N LEU A 43 -0.539 -3.154 1.405 1.00 0.00 N ATOM 693 CA LEU A 43 -0.382 -1.790 0.936 1.00 0.00 C ATOM 694 C LEU A 43 0.168 -0.960 2.089 1.00 0.00 C ATOM 695 O LEU A 43 -0.587 -0.392 2.881 1.00 0.00 O ATOM 696 CB LEU A 43 -1.735 -1.238 0.440 1.00 0.00 C ATOM 697 CG LEU A 43 -1.703 0.043 -0.424 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.280 1.262 0.385 1.00 0.00 C ATOM 699 CD2 LEU A 43 -0.793 -0.128 -1.632 1.00 0.00 C ATOM 0 H LEU A 43 -1.447 -3.351 1.825 1.00 0.00 H new ATOM 0 HA LEU A 43 0.310 -1.748 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.228 -2.021 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.359 -1.042 1.312 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.721 0.211 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.270 2.141 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.984 1.419 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.282 1.100 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.792 0.790 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.221 -0.345 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.155 -0.952 -2.247 1.00 0.00 H new ATOM 711 N SER A 44 1.481 -0.943 2.212 1.00 0.00 N ATOM 712 CA SER A 44 2.128 -0.181 3.258 1.00 0.00 C ATOM 713 C SER A 44 2.165 1.294 2.877 1.00 0.00 C ATOM 714 O SER A 44 2.687 1.662 1.822 1.00 0.00 O ATOM 715 CB SER A 44 3.543 -0.716 3.493 1.00 0.00 C ATOM 716 OG SER A 44 3.518 -2.103 3.805 1.00 0.00 O ATOM 0 H SER A 44 2.120 -1.449 1.599 1.00 0.00 H new ATOM 0 HA SER A 44 1.562 -0.285 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.151 -0.551 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.013 -0.165 4.307 1.00 0.00 H new ATOM 0 HG SER A 44 3.552 -2.220 4.777 1.00 0.00 H new ATOM 722 N VAL A 45 1.587 2.136 3.716 1.00 0.00 N ATOM 723 CA VAL A 45 1.550 3.560 3.448 1.00 0.00 C ATOM 724 C VAL A 45 2.284 4.324 4.543 1.00 0.00 C ATOM 725 O VAL A 45 2.183 3.990 5.728 1.00 0.00 O ATOM 726 CB VAL A 45 0.093 4.077 3.313 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.675 3.904 4.614 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.064 5.526 2.853 1.00 0.00 C ATOM 0 H VAL A 45 1.137 1.857 4.588 1.00 0.00 H new ATOM 0 HA VAL A 45 2.053 3.732 2.496 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.401 3.474 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.692 4.275 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.705 2.848 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.179 4.465 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.970 5.860 2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.588 6.149 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.554 5.610 1.883 1.00 0.00 H new ATOM 738 N SER A 46 3.051 5.320 4.141 1.00 0.00 N ATOM 739 CA SER A 46 3.792 6.135 5.081 1.00 0.00 C ATOM 740 C SER A 46 2.992 7.375 5.439 1.00 0.00 C ATOM 741 O SER A 46 2.490 8.098 4.567 1.00 0.00 O ATOM 742 CB SER A 46 5.155 6.516 4.504 1.00 0.00 C ATOM 743 OG SER A 46 5.924 7.267 5.427 1.00 0.00 O ATOM 0 H SER A 46 3.176 5.584 3.164 1.00 0.00 H new ATOM 0 HA SER A 46 3.961 5.557 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.699 5.612 4.228 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.015 7.095 3.591 1.00 0.00 H new ATOM 0 HG SER A 46 6.789 7.492 5.025 1.00 0.00 H new ATOM 749 N ASP A 47 2.864 7.591 6.731 1.00 0.00 N ATOM 750 CA ASP A 47 2.116 8.715 7.267 1.00 0.00 C ATOM 751 C ASP A 47 3.051 9.701 7.948 1.00 0.00 C ATOM 752 O ASP A 47 3.915 9.311 8.727 1.00 0.00 O ATOM 753 CB ASP A 47 1.064 8.221 8.261 1.00 0.00 C ATOM 754 CG ASP A 47 0.528 9.330 9.143 1.00 0.00 C ATOM 755 OD1 ASP A 47 -0.216 10.194 8.638 1.00 0.00 O ATOM 756 OD2 ASP A 47 0.845 9.336 10.350 1.00 0.00 O ATOM 0 H ASP A 47 3.277 6.991 7.445 1.00 0.00 H new ATOM 0 HA ASP A 47 1.616 9.222 6.442 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.238 7.766 7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.499 7.442 8.887 1.00 0.00 H new ATOM 761 N PHE A 48 2.870 10.971 7.642 1.00 0.00 N ATOM 762 CA PHE A 48 3.683 12.018 8.228 1.00 0.00 C ATOM 763 C PHE A 48 2.887 12.790 9.266 1.00 0.00 C ATOM 764 O PHE A 48 1.921 13.490 8.945 1.00 0.00 O ATOM 765 CB PHE A 48 4.212 12.957 7.143 1.00 0.00 C ATOM 766 CG PHE A 48 4.973 14.138 7.676 1.00 0.00 C ATOM 767 CD1 PHE A 48 6.220 13.971 8.254 1.00 0.00 C ATOM 768 CD2 PHE A 48 4.437 15.415 7.600 1.00 0.00 C ATOM 769 CE1 PHE A 48 6.921 15.056 8.748 1.00 0.00 C ATOM 770 CE2 PHE A 48 5.132 16.504 8.093 1.00 0.00 C ATOM 771 CZ PHE A 48 6.376 16.323 8.667 1.00 0.00 C ATOM 0 H PHE A 48 2.163 11.304 6.987 1.00 0.00 H new ATOM 0 HA PHE A 48 4.536 11.556 8.725 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.860 12.393 6.472 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.373 13.317 6.547 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.650 12.982 8.320 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.466 15.560 7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.893 14.913 9.196 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.704 17.493 8.030 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.922 17.172 9.052 1.00 0.00 H new ATOM 781 N ASP A 49 3.300 12.636 10.506 1.00 0.00 N ATOM 782 CA ASP A 49 2.673 13.316 11.625 1.00 0.00 C ATOM 783 C ASP A 49 3.690 14.222 12.302 1.00 0.00 C ATOM 784 O ASP A 49 4.881 13.917 12.341 1.00 0.00 O ATOM 785 CB ASP A 49 2.130 12.302 12.634 1.00 0.00 C ATOM 786 CG ASP A 49 1.294 12.957 13.714 1.00 0.00 C ATOM 787 OD1 ASP A 49 0.069 13.086 13.528 1.00 0.00 O ATOM 788 OD2 ASP A 49 1.860 13.355 14.753 1.00 0.00 O ATOM 0 H ASP A 49 4.081 12.035 10.770 1.00 0.00 H new ATOM 0 HA ASP A 49 1.841 13.914 11.253 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.527 11.560 12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.962 11.770 13.095 1.00 0.00 H new ATOM 793 N ASN A 50 3.215 15.332 12.841 1.00 0.00 N ATOM 794 CA ASN A 50 4.097 16.345 13.411 1.00 0.00 C ATOM 795 C ASN A 50 4.569 15.960 14.812 1.00 0.00 C ATOM 796 O ASN A 50 5.496 16.568 15.348 1.00 0.00 O ATOM 797 CB ASN A 50 3.391 17.705 13.451 1.00 0.00 C ATOM 798 CG ASN A 50 2.292 17.768 14.493 1.00 0.00 C ATOM 799 OD1 ASN A 50 1.155 17.380 14.242 1.00 0.00 O ATOM 800 ND2 ASN A 50 2.619 18.277 15.667 1.00 0.00 N ATOM 0 H ASN A 50 2.222 15.558 12.897 1.00 0.00 H new ATOM 0 HA ASN A 50 4.975 16.414 12.769 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.125 18.484 13.657 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.967 17.918 12.470 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.916 18.358 16.401 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.575 18.589 15.839 1.00 0.00 H new ATOM 807 N ALA A 51 3.928 14.960 15.403 1.00 0.00 N ATOM 808 CA ALA A 51 4.282 14.510 16.742 1.00 0.00 C ATOM 809 C ALA A 51 4.728 13.052 16.735 1.00 0.00 C ATOM 810 O ALA A 51 5.717 12.687 17.372 1.00 0.00 O ATOM 811 CB ALA A 51 3.105 14.692 17.685 1.00 0.00 C ATOM 0 H ALA A 51 3.159 14.445 14.975 1.00 0.00 H new ATOM 0 HA ALA A 51 5.117 15.117 17.091 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.382 14.352 18.683 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.830 15.746 17.724 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.257 14.109 17.325 1.00 0.00 H new ATOM 817 N LYS A 52 3.988 12.226 16.011 1.00 0.00 N ATOM 818 CA LYS A 52 4.281 10.799 15.942 1.00 0.00 C ATOM 819 C LYS A 52 5.390 10.516 14.938 1.00 0.00 C ATOM 820 O LYS A 52 6.040 9.470 14.996 1.00 0.00 O ATOM 821 CB LYS A 52 3.020 10.013 15.575 1.00 0.00 C ATOM 822 CG LYS A 52 1.990 9.961 16.691 1.00 0.00 C ATOM 823 CD LYS A 52 2.517 9.186 17.889 1.00 0.00 C ATOM 824 CE LYS A 52 1.521 9.173 19.037 1.00 0.00 C ATOM 825 NZ LYS A 52 1.268 10.535 19.574 1.00 0.00 N ATOM 0 H LYS A 52 3.179 12.518 15.462 1.00 0.00 H new ATOM 0 HA LYS A 52 4.623 10.477 16.925 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.565 10.463 14.693 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.302 8.996 15.304 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.729 10.974 16.996 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.076 9.493 16.325 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.740 8.162 17.590 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.454 9.630 18.226 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.581 8.738 18.696 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.897 8.533 19.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.765 10.463 20.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.174 11.025 19.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.688 11.072 18.898 1.00 0.00 H new ATOM 839 N GLY A 53 5.604 11.449 14.024 1.00 0.00 N ATOM 840 CA GLY A 53 6.649 11.288 13.034 1.00 0.00 C ATOM 841 C GLY A 53 6.173 10.507 11.831 1.00 0.00 C ATOM 842 O GLY A 53 5.093 10.770 11.305 1.00 0.00 O ATOM 0 H GLY A 53 5.072 12.316 13.949 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.999 12.269 12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.500 10.777 13.485 1.00 0.00 H new ATOM 846 N LEU A 54 6.967 9.540 11.408 1.00 0.00 N ATOM 847 CA LEU A 54 6.626 8.723 10.257 1.00 0.00 C ATOM 848 C LEU A 54 5.981 7.421 10.707 1.00 0.00 C ATOM 849 O LEU A 54 6.637 6.550 11.284 1.00 0.00 O ATOM 850 CB LEU A 54 7.873 8.431 9.424 1.00 0.00 C ATOM 851 CG LEU A 54 8.555 9.659 8.824 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.850 9.254 8.144 1.00 0.00 C ATOM 853 CD2 LEU A 54 7.623 10.365 7.845 1.00 0.00 C ATOM 0 H LEU A 54 7.856 9.300 11.846 1.00 0.00 H new ATOM 0 HA LEU A 54 5.915 9.273 9.641 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.593 7.904 10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.600 7.755 8.614 1.00 0.00 H new ATOM 0 HG LEU A 54 8.790 10.358 9.626 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.329 10.136 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.516 8.795 8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.636 8.539 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.126 11.237 7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.355 9.681 7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.720 10.682 8.367 1.00 0.00 H new ATOM 865 N ASN A 55 4.690 7.296 10.452 1.00 0.00 N ATOM 866 CA ASN A 55 3.944 6.113 10.847 1.00 0.00 C ATOM 867 C ASN A 55 3.649 5.258 9.634 1.00 0.00 C ATOM 868 O ASN A 55 2.946 5.684 8.721 1.00 0.00 O ATOM 869 CB ASN A 55 2.624 6.479 11.534 1.00 0.00 C ATOM 870 CG ASN A 55 2.800 7.448 12.684 1.00 0.00 C ATOM 871 OD1 ASN A 55 3.138 7.053 13.800 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.522 8.720 12.432 1.00 0.00 N ATOM 0 H ASN A 55 4.134 8.003 9.971 1.00 0.00 H new ATOM 0 HA ASN A 55 4.560 5.560 11.556 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.948 6.916 10.799 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.149 5.570 11.903 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.585 9.413 13.178 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.246 9.005 11.493 1.00 0.00 H new ATOM 879 N VAL A 56 4.189 4.057 9.616 1.00 0.00 N ATOM 880 CA VAL A 56 3.938 3.149 8.516 1.00 0.00 C ATOM 881 C VAL A 56 2.738 2.277 8.829 1.00 0.00 C ATOM 882 O VAL A 56 2.798 1.395 9.685 1.00 0.00 O ATOM 883 CB VAL A 56 5.156 2.262 8.198 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.835 1.311 7.053 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.364 3.122 7.861 1.00 0.00 C ATOM 0 H VAL A 56 4.800 3.689 10.345 1.00 0.00 H new ATOM 0 HA VAL A 56 3.737 3.758 7.634 1.00 0.00 H new ATOM 0 HB VAL A 56 5.394 1.668 9.080 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.706 0.691 6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.996 0.674 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.573 1.886 6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.217 2.480 7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.139 3.741 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.603 3.762 8.710 1.00 0.00 H new ATOM 895 N LYS A 57 1.643 2.549 8.149 1.00 0.00 N ATOM 896 CA LYS A 57 0.422 1.797 8.351 1.00 0.00 C ATOM 897 C LYS A 57 0.340 0.689 7.315 1.00 0.00 C ATOM 898 O LYS A 57 0.251 0.952 6.114 1.00 0.00 O ATOM 899 CB LYS A 57 -0.794 2.721 8.254 1.00 0.00 C ATOM 900 CG LYS A 57 -0.712 3.931 9.175 1.00 0.00 C ATOM 901 CD LYS A 57 -1.927 4.833 9.021 1.00 0.00 C ATOM 902 CE LYS A 57 -1.745 6.154 9.757 1.00 0.00 C ATOM 903 NZ LYS A 57 -1.672 5.985 11.236 1.00 0.00 N ATOM 0 H LYS A 57 1.574 3.288 7.449 1.00 0.00 H new ATOM 0 HA LYS A 57 0.428 1.354 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.899 3.064 7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.693 2.152 8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.634 3.597 10.210 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.193 4.497 8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.104 5.027 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.810 4.322 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.834 6.638 9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.574 6.818 9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.548 6.914 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.551 5.549 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.866 5.374 11.476 1.00 0.00 H new ATOM 917 N HIS A 58 0.399 -0.545 7.776 1.00 0.00 N ATOM 918 CA HIS A 58 0.409 -1.690 6.882 1.00 0.00 C ATOM 919 C HIS A 58 -1.011 -2.154 6.593 1.00 0.00 C ATOM 920 O HIS A 58 -1.548 -3.021 7.286 1.00 0.00 O ATOM 921 CB HIS A 58 1.228 -2.844 7.476 1.00 0.00 C ATOM 922 CG HIS A 58 2.689 -2.539 7.646 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.605 -2.830 6.661 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.334 -1.992 8.704 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.780 -2.455 7.142 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.666 -1.943 8.374 1.00 0.00 N ATOM 0 H HIS A 58 0.441 -0.782 8.767 1.00 0.00 H new ATOM 0 HA HIS A 58 0.877 -1.381 5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.809 -3.110 8.446 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.123 -3.718 6.833 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.887 -1.659 9.629 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.714 -2.550 6.608 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.423 -1.585 8.956 1.00 0.00 H new ATOM 934 N TYR A 59 -1.624 -1.557 5.581 1.00 0.00 N ATOM 935 CA TYR A 59 -2.950 -1.967 5.149 1.00 0.00 C ATOM 936 C TYR A 59 -2.849 -3.257 4.354 1.00 0.00 C ATOM 937 O TYR A 59 -1.789 -3.584 3.819 1.00 0.00 O ATOM 938 CB TYR A 59 -3.614 -0.871 4.315 1.00 0.00 C ATOM 939 CG TYR A 59 -4.067 0.323 5.127 1.00 0.00 C ATOM 940 CD1 TYR A 59 -3.213 1.391 5.377 1.00 0.00 C ATOM 941 CD2 TYR A 59 -5.357 0.383 5.641 1.00 0.00 C ATOM 942 CE1 TYR A 59 -3.633 2.484 6.113 1.00 0.00 C ATOM 943 CE2 TYR A 59 -5.782 1.471 6.378 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.918 2.519 6.612 1.00 0.00 C ATOM 945 OH TYR A 59 -5.344 3.608 7.339 1.00 0.00 O ATOM 0 H TYR A 59 -1.224 -0.787 5.045 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.571 -2.137 6.029 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.914 -0.534 3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.474 -1.293 3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.205 1.367 4.990 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.039 -0.435 5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.957 3.307 6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.788 1.500 6.770 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.274 3.473 7.615 1.00 0.00 H new ATOM 955 N LYS A 60 -3.938 -3.996 4.285 1.00 0.00 N ATOM 956 CA LYS A 60 -3.915 -5.301 3.652 1.00 0.00 C ATOM 957 C LYS A 60 -4.929 -5.391 2.524 1.00 0.00 C ATOM 958 O LYS A 60 -6.130 -5.209 2.729 1.00 0.00 O ATOM 959 CB LYS A 60 -4.159 -6.393 4.695 1.00 0.00 C ATOM 960 CG LYS A 60 -3.115 -6.392 5.804 1.00 0.00 C ATOM 961 CD LYS A 60 -3.401 -7.442 6.866 1.00 0.00 C ATOM 962 CE LYS A 60 -2.429 -7.314 8.031 1.00 0.00 C ATOM 963 NZ LYS A 60 -2.694 -8.303 9.107 1.00 0.00 N ATOM 0 H LYS A 60 -4.846 -3.718 4.657 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.929 -5.449 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.148 -6.257 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.159 -7.366 4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.130 -6.573 5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.083 -5.407 6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.424 -7.332 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.323 -8.438 6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.410 -7.444 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.493 -6.307 8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.005 -8.173 9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.656 -8.164 9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.607 -9.266 8.723 1.00 0.00 H new ATOM 977 N ILE A 61 -4.423 -5.664 1.332 1.00 0.00 N ATOM 978 CA ILE A 61 -5.248 -5.853 0.157 1.00 0.00 C ATOM 979 C ILE A 61 -5.616 -7.323 0.049 1.00 0.00 C ATOM 980 O ILE A 61 -4.911 -8.115 -0.580 1.00 0.00 O ATOM 981 CB ILE A 61 -4.520 -5.401 -1.128 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.003 -3.970 -0.969 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.452 -5.501 -2.329 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.216 -3.470 -2.162 1.00 0.00 C ATOM 0 H ILE A 61 -3.423 -5.760 1.155 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.145 -5.242 0.260 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.669 -6.060 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.849 -3.304 -0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.372 -3.918 -0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.924 -5.179 -3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.779 -6.534 -2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.321 -4.862 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.882 -2.449 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.349 -4.112 -2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.849 -3.489 -3.049 1.00 0.00 H new ATOM 996 N ARG A 62 -6.706 -7.678 0.691 1.00 0.00 N ATOM 997 CA ARG A 62 -7.132 -9.059 0.794 1.00 0.00 C ATOM 998 C ARG A 62 -8.112 -9.373 -0.326 1.00 0.00 C ATOM 999 O ARG A 62 -8.753 -8.469 -0.854 1.00 0.00 O ATOM 1000 CB ARG A 62 -7.782 -9.262 2.161 1.00 0.00 C ATOM 1001 CG ARG A 62 -8.011 -10.707 2.552 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.586 -10.785 3.953 1.00 0.00 C ATOM 1003 NE ARG A 62 -8.777 -12.155 4.412 1.00 0.00 N ATOM 1004 CZ ARG A 62 -9.429 -12.471 5.525 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -9.933 -11.510 6.293 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -9.564 -13.745 5.873 1.00 0.00 N ATOM 0 H ARG A 62 -7.325 -7.016 1.159 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.280 -9.733 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.155 -8.791 2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.740 -8.742 2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.692 -11.179 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.071 -11.257 2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.921 -10.265 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.542 -10.262 3.978 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.389 -12.911 3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.819 -10.532 6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.434 -11.751 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.167 -14.479 5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.064 -13.990 6.727 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.207 -10.633 -0.714 1.00 0.00 N ATOM 1021 CA LYS A 63 -9.160 -11.021 -1.736 1.00 0.00 C ATOM 1022 C LYS A 63 -10.284 -11.843 -1.122 1.00 0.00 C ATOM 1023 O LYS A 63 -10.066 -12.631 -0.199 1.00 0.00 O ATOM 1024 CB LYS A 63 -8.475 -11.803 -2.862 1.00 0.00 C ATOM 1025 CG LYS A 63 -8.087 -13.229 -2.507 1.00 0.00 C ATOM 1026 CD LYS A 63 -7.406 -13.918 -3.677 1.00 0.00 C ATOM 1027 CE LYS A 63 -7.024 -15.352 -3.349 1.00 0.00 C ATOM 1028 NZ LYS A 63 -8.210 -16.229 -3.145 1.00 0.00 N ATOM 0 H LYS A 63 -7.642 -11.396 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.583 -10.114 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.141 -11.827 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.578 -11.263 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.419 -13.224 -1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.976 -13.790 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.071 -13.908 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.513 -13.360 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.414 -15.755 -4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.409 -15.363 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.900 -17.218 -3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.706 -15.945 -2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.853 -16.137 -3.957 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.488 -11.625 -1.624 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.654 -12.368 -1.175 1.00 0.00 C ATOM 1044 C LEU A 64 -12.696 -13.743 -1.815 1.00 0.00 C ATOM 1045 O LEU A 64 -11.872 -14.060 -2.676 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.950 -11.627 -1.517 1.00 0.00 C ATOM 1047 CG LEU A 64 -14.291 -10.428 -0.637 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -15.557 -9.755 -1.140 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.462 -10.863 0.811 1.00 0.00 C ATOM 0 H LEU A 64 -11.684 -10.934 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.573 -12.469 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.888 -11.287 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.775 -12.337 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.470 -9.713 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.792 -8.901 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.406 -9.415 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.383 -10.466 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.705 -9.996 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.269 -11.593 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.535 -11.312 1.168 1.00 0.00 H new ATOM 1061 N ASP A 65 -13.659 -14.544 -1.400 1.00 0.00 N ATOM 1062 CA ASP A 65 -13.883 -15.849 -2.002 1.00 0.00 C ATOM 1063 C ASP A 65 -14.248 -15.707 -3.481 1.00 0.00 C ATOM 1064 O ASP A 65 -13.694 -16.391 -4.342 1.00 0.00 O ATOM 1065 CB ASP A 65 -14.987 -16.583 -1.241 1.00 0.00 C ATOM 1066 CG ASP A 65 -15.578 -17.729 -2.028 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -14.921 -18.782 -2.141 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -16.711 -17.577 -2.529 1.00 0.00 O ATOM 0 H ASP A 65 -14.304 -14.314 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.963 -16.430 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.584 -16.963 -0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.778 -15.877 -0.986 1.00 0.00 H new ATOM 1073 N SER A 66 -15.159 -14.788 -3.770 1.00 0.00 N ATOM 1074 CA SER A 66 -15.603 -14.548 -5.132 1.00 0.00 C ATOM 1075 C SER A 66 -16.084 -13.103 -5.251 1.00 0.00 C ATOM 1076 O SER A 66 -17.242 -12.836 -5.577 1.00 0.00 O ATOM 1077 CB SER A 66 -16.714 -15.535 -5.515 1.00 0.00 C ATOM 1078 OG SER A 66 -17.030 -15.458 -6.896 1.00 0.00 O ATOM 0 H SER A 66 -15.607 -14.194 -3.072 1.00 0.00 H new ATOM 0 HA SER A 66 -14.774 -14.704 -5.822 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.400 -16.550 -5.269 1.00 0.00 H new ATOM 0 HB3 SER A 66 -17.606 -15.326 -4.925 1.00 0.00 H new ATOM 0 HG SER A 66 -17.335 -14.552 -7.112 1.00 0.00 H new ATOM 1084 N GLY A 67 -15.187 -12.179 -4.953 1.00 0.00 N ATOM 1085 CA GLY A 67 -15.522 -10.768 -5.004 1.00 0.00 C ATOM 1086 C GLY A 67 -14.401 -9.917 -5.568 1.00 0.00 C ATOM 1087 O GLY A 67 -14.652 -8.917 -6.242 1.00 0.00 O ATOM 0 H GLY A 67 -14.226 -12.379 -4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -16.416 -10.633 -5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.765 -10.421 -4.000 1.00 0.00 H new ATOM 1091 N GLY A 68 -13.166 -10.319 -5.308 1.00 0.00 N ATOM 1092 CA GLY A 68 -12.030 -9.553 -5.776 1.00 0.00 C ATOM 1093 C GLY A 68 -11.131 -9.109 -4.641 1.00 0.00 C ATOM 1094 O GLY A 68 -11.168 -9.687 -3.554 1.00 0.00 O ATOM 0 H GLY A 68 -12.930 -11.161 -4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.454 -10.154 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.384 -8.677 -6.320 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.341 -8.078 -4.894 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.401 -7.555 -3.913 1.00 0.00 C ATOM 1100 C PHE A 69 -9.965 -6.311 -3.251 1.00 0.00 C ATOM 1101 O PHE A 69 -10.701 -5.542 -3.877 1.00 0.00 O ATOM 1102 CB PHE A 69 -8.061 -7.217 -4.575 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.312 -8.415 -5.081 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -6.426 -9.089 -4.258 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.487 -8.860 -6.381 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -5.729 -10.189 -4.721 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -6.796 -9.961 -6.849 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.916 -10.625 -6.018 1.00 0.00 C ATOM 0 H PHE A 69 -10.332 -7.580 -5.784 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.240 -8.324 -3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.240 -6.535 -5.406 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.436 -6.687 -3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.278 -8.751 -3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.171 -8.341 -7.036 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.040 -10.706 -4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.944 -10.302 -7.863 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.374 -11.485 -6.382 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.613 -6.119 -1.990 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.085 -4.980 -1.222 1.00 0.00 C ATOM 1120 C TYR A 70 -9.125 -4.669 -0.078 1.00 0.00 C ATOM 1121 O TYR A 70 -8.547 -5.574 0.525 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.482 -5.271 -0.656 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.531 -6.455 0.291 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.633 -7.756 -0.188 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -11.467 -6.270 1.667 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -11.670 -8.833 0.674 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -11.504 -7.343 2.534 1.00 0.00 C ATOM 1128 CZ TYR A 70 -11.604 -8.622 2.032 1.00 0.00 C ATOM 1129 OH TYR A 70 -11.647 -9.694 2.896 1.00 0.00 O ATOM 0 H TYR A 70 -8.995 -6.745 -1.473 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.135 -4.116 -1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.842 -4.385 -0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.167 -5.453 -1.484 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.684 -7.927 -1.253 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.387 -5.269 2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.750 -9.837 0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.455 -7.181 3.601 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.588 -9.372 3.820 1.00 0.00 H new ATOM 1139 N ILE A 71 -8.944 -3.386 0.209 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.169 -2.972 1.372 1.00 0.00 C ATOM 1141 C ILE A 71 -9.068 -2.988 2.603 1.00 0.00 C ATOM 1142 O ILE A 71 -8.623 -3.239 3.723 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.565 -1.558 1.186 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.587 -1.549 0.011 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -6.872 -1.093 2.458 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -5.935 -0.204 -0.227 1.00 0.00 C ATOM 0 H ILE A 71 -9.321 -2.617 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.342 -3.671 1.497 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.378 -0.865 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.811 -2.293 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.116 -1.852 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.456 -0.098 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.593 -1.061 3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.070 -1.786 2.709 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.255 -0.275 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.703 0.540 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.377 0.092 0.661 1.00 0.00 H new ATOM 1158 N THR A 72 -10.345 -2.744 2.369 1.00 0.00 N ATOM 1159 CA THR A 72 -11.331 -2.714 3.427 1.00 0.00 C ATOM 1160 C THR A 72 -12.661 -3.243 2.898 1.00 0.00 C ATOM 1161 O THR A 72 -12.877 -3.290 1.684 1.00 0.00 O ATOM 1162 CB THR A 72 -11.508 -1.279 3.973 1.00 0.00 C ATOM 1163 OG1 THR A 72 -12.401 -1.272 5.096 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.036 -0.344 2.896 1.00 0.00 C ATOM 0 H THR A 72 -10.725 -2.562 1.440 1.00 0.00 H new ATOM 0 HA THR A 72 -10.987 -3.347 4.245 1.00 0.00 H new ATOM 0 HB THR A 72 -10.528 -0.925 4.293 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.500 -0.356 5.430 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.151 0.658 3.309 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.334 -0.315 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.003 -0.704 2.544 1.00 0.00 H new ATOM 1172 N SER A 73 -13.545 -3.644 3.802 1.00 0.00 N ATOM 1173 CA SER A 73 -14.828 -4.215 3.420 1.00 0.00 C ATOM 1174 C SER A 73 -15.817 -3.127 2.998 1.00 0.00 C ATOM 1175 O SER A 73 -16.878 -2.965 3.603 1.00 0.00 O ATOM 1176 CB SER A 73 -15.392 -5.034 4.582 1.00 0.00 C ATOM 1177 OG SER A 73 -15.371 -4.290 5.792 1.00 0.00 O ATOM 0 H SER A 73 -13.395 -3.584 4.809 1.00 0.00 H new ATOM 0 HA SER A 73 -14.674 -4.869 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.415 -5.336 4.355 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.810 -5.947 4.703 1.00 0.00 H new ATOM 0 HG SER A 73 -15.843 -3.441 5.662 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.446 -2.369 1.973 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.312 -1.342 1.415 1.00 0.00 C ATOM 1185 C ARG A 74 -16.362 -1.458 -0.104 1.00 0.00 C ATOM 1186 O ARG A 74 -17.308 -2.004 -0.666 1.00 0.00 O ATOM 1187 CB ARG A 74 -15.830 0.057 1.807 1.00 0.00 C ATOM 1188 CG ARG A 74 -15.850 0.330 3.301 1.00 0.00 C ATOM 1189 CD ARG A 74 -15.397 1.747 3.600 1.00 0.00 C ATOM 1190 NE ARG A 74 -15.355 2.024 5.034 1.00 0.00 N ATOM 1191 CZ ARG A 74 -15.500 3.241 5.556 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -15.757 4.276 4.767 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -15.396 3.426 6.864 1.00 0.00 N ATOM 0 H ARG A 74 -14.541 -2.449 1.509 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.312 -1.492 1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.814 0.195 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.454 0.797 1.306 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.857 0.177 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.200 -0.379 3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.408 1.908 3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.072 2.452 3.115 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.206 1.242 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.844 4.140 3.760 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.868 5.207 5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.204 2.634 7.477 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.508 4.360 7.257 1.00 0.00 H new ATOM 1207 N THR A 75 -15.329 -0.958 -0.763 1.00 0.00 N ATOM 1208 CA THR A 75 -15.272 -0.979 -2.213 1.00 0.00 C ATOM 1209 C THR A 75 -14.379 -2.123 -2.693 1.00 0.00 C ATOM 1210 O THR A 75 -13.213 -2.211 -2.312 1.00 0.00 O ATOM 1211 CB THR A 75 -14.747 0.367 -2.742 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.448 1.441 -2.097 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.937 0.472 -4.249 1.00 0.00 C ATOM 0 H THR A 75 -14.518 -0.532 -0.314 1.00 0.00 H new ATOM 0 HA THR A 75 -16.278 -1.139 -2.600 1.00 0.00 H new ATOM 0 HB THR A 75 -13.681 0.431 -2.522 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.938 1.743 -1.317 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.558 1.433 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.392 -0.333 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.997 0.392 -4.488 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.940 -3.013 -3.508 1.00 0.00 N ATOM 1222 CA GLN A 76 -14.220 -4.201 -3.961 1.00 0.00 C ATOM 1223 C GLN A 76 -13.765 -4.024 -5.410 1.00 0.00 C ATOM 1224 O GLN A 76 -14.447 -3.370 -6.203 1.00 0.00 O ATOM 1225 CB GLN A 76 -15.116 -5.442 -3.848 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.872 -5.556 -2.528 1.00 0.00 C ATOM 1227 CD GLN A 76 -14.964 -5.676 -1.318 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -14.571 -6.770 -0.930 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -14.642 -4.551 -0.705 1.00 0.00 N ATOM 0 H GLN A 76 -15.891 -2.934 -3.868 1.00 0.00 H new ATOM 0 HA GLN A 76 -13.344 -4.336 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.837 -5.430 -4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.501 -6.332 -3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -16.511 -4.681 -2.408 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -16.528 -6.426 -2.568 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.989 -3.660 -1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.046 -4.574 0.122 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.618 -4.603 -5.756 1.00 0.00 N ATOM 1239 CA PHE A 77 -12.068 -4.470 -7.104 1.00 0.00 C ATOM 1240 C PHE A 77 -11.644 -5.819 -7.666 1.00 0.00 C ATOM 1241 O PHE A 77 -11.116 -6.666 -6.958 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.876 -3.516 -7.098 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.250 -2.124 -6.693 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -11.873 -1.275 -7.593 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -10.994 -1.672 -5.413 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.233 0.001 -7.219 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.350 -0.397 -5.035 1.00 0.00 C ATOM 1248 CZ PHE A 77 -11.970 0.439 -5.939 1.00 0.00 C ATOM 0 H PHE A 77 -12.052 -5.168 -5.123 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.853 -4.065 -7.743 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.115 -3.896 -6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.430 -3.493 -8.092 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.078 -1.617 -8.597 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.510 -2.325 -4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -12.720 0.656 -7.926 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.144 -0.052 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.250 1.439 -5.644 1.00 0.00 H new ATOM 1258 N SER A 78 -11.876 -5.995 -8.958 1.00 0.00 N ATOM 1259 CA SER A 78 -11.584 -7.249 -9.637 1.00 0.00 C ATOM 1260 C SER A 78 -10.077 -7.451 -9.820 1.00 0.00 C ATOM 1261 O SER A 78 -9.614 -8.577 -9.997 1.00 0.00 O ATOM 1262 CB SER A 78 -12.293 -7.273 -10.994 1.00 0.00 C ATOM 1263 OG SER A 78 -12.236 -8.558 -11.593 1.00 0.00 O ATOM 0 H SER A 78 -12.271 -5.276 -9.564 1.00 0.00 H new ATOM 0 HA SER A 78 -11.952 -8.068 -9.019 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.334 -6.977 -10.866 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.833 -6.541 -11.658 1.00 0.00 H new ATOM 0 HG SER A 78 -12.699 -8.537 -12.456 1.00 0.00 H new ATOM 1269 N SER A 79 -9.314 -6.362 -9.770 1.00 0.00 N ATOM 1270 CA SER A 79 -7.873 -6.443 -9.960 1.00 0.00 C ATOM 1271 C SER A 79 -7.137 -5.490 -9.021 1.00 0.00 C ATOM 1272 O SER A 79 -7.758 -4.673 -8.335 1.00 0.00 O ATOM 1273 CB SER A 79 -7.520 -6.136 -11.416 1.00 0.00 C ATOM 1274 OG SER A 79 -8.050 -4.886 -11.818 1.00 0.00 O ATOM 0 H SER A 79 -9.669 -5.421 -9.601 1.00 0.00 H new ATOM 0 HA SER A 79 -7.554 -7.458 -9.722 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.437 -6.131 -11.537 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.909 -6.924 -12.061 1.00 0.00 H new ATOM 0 HG SER A 79 -9.029 -4.934 -11.828 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.812 -5.593 -9.005 1.00 0.00 N ATOM 1281 CA LEU A 80 -4.981 -4.756 -8.147 1.00 0.00 C ATOM 1282 C LEU A 80 -4.800 -3.374 -8.756 1.00 0.00 C ATOM 1283 O LEU A 80 -4.610 -2.391 -8.041 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.611 -5.407 -7.926 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.616 -6.666 -7.056 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.232 -7.300 -7.025 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.071 -6.330 -5.646 1.00 0.00 C ATOM 0 H LEU A 80 -5.288 -6.252 -9.580 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.485 -4.654 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.186 -5.659 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.948 -4.672 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.315 -7.382 -7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.255 -8.194 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.933 -7.571 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.515 -6.589 -6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.070 -7.235 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.391 -5.598 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.079 -5.916 -5.678 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.862 -3.300 -10.079 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.708 -2.030 -10.777 1.00 0.00 C ATOM 1301 C GLN A 81 -5.864 -1.096 -10.422 1.00 0.00 C ATOM 1302 O GLN A 81 -5.655 0.086 -10.144 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.628 -2.259 -12.293 1.00 0.00 C ATOM 1304 CG GLN A 81 -3.965 -1.120 -13.061 1.00 0.00 C ATOM 1305 CD GLN A 81 -4.856 0.096 -13.243 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -6.077 -0.021 -13.355 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -4.253 1.273 -13.259 1.00 0.00 N ATOM 0 H GLN A 81 -5.017 -4.102 -10.689 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.777 -1.560 -10.460 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.076 -3.180 -12.482 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.636 -2.406 -12.681 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.058 -0.819 -12.536 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.659 -1.485 -14.042 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.239 1.328 -13.163 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.802 2.126 -13.367 1.00 0.00 H new ATOM 1316 N GLN A 82 -7.078 -1.642 -10.408 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.262 -0.870 -10.036 1.00 0.00 C ATOM 1318 C GLN A 82 -8.132 -0.353 -8.607 1.00 0.00 C ATOM 1319 O GLN A 82 -8.564 0.757 -8.296 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.527 -1.726 -10.135 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.806 -2.292 -11.517 1.00 0.00 C ATOM 1322 CD GLN A 82 -11.045 -3.171 -11.546 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -11.129 -4.125 -12.315 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -12.020 -2.856 -10.704 1.00 0.00 N ATOM 0 H GLN A 82 -7.268 -2.615 -10.650 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.339 -0.031 -10.728 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.446 -2.552 -9.429 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.381 -1.124 -9.825 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.930 -1.472 -12.224 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.945 -2.872 -11.849 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.916 -2.056 -10.079 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.874 -3.413 -10.681 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.534 -1.185 -7.761 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.355 -0.886 -6.345 1.00 0.00 C ATOM 1335 C LEU A 83 -6.613 0.443 -6.165 1.00 0.00 C ATOM 1336 O LEU A 83 -7.186 1.427 -5.694 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.589 -2.052 -5.685 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.474 -2.054 -4.151 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.537 -0.959 -3.661 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.846 -1.920 -3.510 1.00 0.00 C ATOM 0 H LEU A 83 -7.158 -2.091 -8.040 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.327 -0.780 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.070 -2.983 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.580 -2.066 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.046 -3.011 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.479 -0.989 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.544 -1.115 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.916 0.013 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.743 -1.924 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.306 -0.984 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.474 -2.756 -3.817 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.350 0.468 -6.563 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.504 1.641 -6.357 1.00 0.00 C ATOM 1354 C VAL A 84 -5.022 2.861 -7.107 1.00 0.00 C ATOM 1355 O VAL A 84 -5.016 3.969 -6.574 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.045 1.370 -6.768 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.263 0.786 -5.602 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -2.981 0.428 -7.955 1.00 0.00 C ATOM 0 H VAL A 84 -4.885 -0.310 -7.031 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.538 1.852 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.597 2.321 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.234 0.601 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.271 1.490 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.722 -0.152 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.940 0.253 -8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.452 -0.520 -7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.505 0.872 -8.801 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.470 2.651 -8.336 1.00 0.00 N ATOM 1369 CA ALA A 85 -6.020 3.728 -9.155 1.00 0.00 C ATOM 1370 C ALA A 85 -7.177 4.441 -8.453 1.00 0.00 C ATOM 1371 O ALA A 85 -7.345 5.653 -8.594 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.477 3.186 -10.498 1.00 0.00 C ATOM 0 H ALA A 85 -5.464 1.739 -8.793 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.227 4.459 -9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.885 3.999 -11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.629 2.741 -11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.246 2.429 -10.342 1.00 0.00 H new ATOM 1378 N TYR A 86 -7.964 3.688 -7.694 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.111 4.250 -6.993 1.00 0.00 C ATOM 1380 C TYR A 86 -8.681 4.926 -5.699 1.00 0.00 C ATOM 1381 O TYR A 86 -9.038 6.078 -5.441 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.133 3.157 -6.692 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.384 3.654 -5.999 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.396 4.274 -6.717 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -11.561 3.485 -4.627 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.543 4.715 -6.094 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -12.708 3.926 -3.997 1.00 0.00 C ATOM 1388 CZ TYR A 86 -13.696 4.541 -4.734 1.00 0.00 C ATOM 1389 OH TYR A 86 -14.844 4.980 -4.113 1.00 0.00 O ATOM 0 H TYR A 86 -7.829 2.688 -7.549 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.567 5.000 -7.639 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.416 2.672 -7.626 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.663 2.397 -6.068 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.283 4.413 -7.782 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.789 3.001 -4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.321 5.196 -6.669 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.830 3.790 -2.933 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.794 4.780 -3.155 1.00 0.00 H new ATOM 1399 N TYR A 87 -7.898 4.212 -4.898 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.469 4.712 -3.595 1.00 0.00 C ATOM 1401 C TYR A 87 -6.457 5.848 -3.740 1.00 0.00 C ATOM 1402 O TYR A 87 -6.088 6.497 -2.758 1.00 0.00 O ATOM 1403 CB TYR A 87 -6.898 3.573 -2.744 1.00 0.00 C ATOM 1404 CG TYR A 87 -7.950 2.625 -2.205 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -8.605 1.723 -3.036 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.286 2.634 -0.863 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -9.566 0.862 -2.536 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.243 1.776 -0.358 1.00 0.00 C ATOM 1409 CZ TYR A 87 -9.880 0.893 -1.197 1.00 0.00 C ATOM 1410 OH TYR A 87 -10.834 0.034 -0.691 1.00 0.00 O ATOM 0 H TYR A 87 -7.546 3.283 -5.128 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.344 5.116 -3.085 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.185 3.007 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.344 3.999 -1.908 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.360 1.694 -4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.790 3.325 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.068 0.168 -3.194 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.490 1.799 0.693 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.544 0.552 -0.258 1.00 0.00 H new ATOM 1420 N SER A 88 -6.017 6.085 -4.967 1.00 0.00 N ATOM 1421 CA SER A 88 -5.161 7.219 -5.277 1.00 0.00 C ATOM 1422 C SER A 88 -5.962 8.520 -5.194 1.00 0.00 C ATOM 1423 O SER A 88 -5.406 9.599 -4.988 1.00 0.00 O ATOM 1424 CB SER A 88 -4.562 7.048 -6.680 1.00 0.00 C ATOM 1425 OG SER A 88 -3.618 8.064 -6.973 1.00 0.00 O ATOM 0 H SER A 88 -6.242 5.500 -5.771 1.00 0.00 H new ATOM 0 HA SER A 88 -4.350 7.265 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.082 6.072 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.360 7.068 -7.422 1.00 0.00 H new ATOM 0 HG SER A 88 -3.236 8.406 -6.138 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.275 8.399 -5.344 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.158 9.553 -5.322 1.00 0.00 C ATOM 1433 C LYS A 89 -9.107 9.467 -4.130 1.00 0.00 C ATOM 1434 O LYS A 89 -9.307 10.442 -3.406 1.00 0.00 O ATOM 1435 CB LYS A 89 -8.949 9.632 -6.629 1.00 0.00 C ATOM 1436 CG LYS A 89 -8.077 9.488 -7.867 1.00 0.00 C ATOM 1437 CD LYS A 89 -8.868 9.684 -9.148 1.00 0.00 C ATOM 1438 CE LYS A 89 -9.355 11.114 -9.284 1.00 0.00 C ATOM 1439 NZ LYS A 89 -9.905 11.390 -10.636 1.00 0.00 N ATOM 0 H LYS A 89 -7.751 7.508 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.557 10.457 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.708 8.850 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.474 10.586 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.267 10.216 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.617 8.500 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.245 9.427 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.721 9.005 -9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.122 11.308 -8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.531 11.798 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.226 12.378 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.166 11.230 -11.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.708 10.755 -10.820 1.00 0.00 H new ATOM 1453 N HIS A 90 -9.684 8.289 -3.933 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.565 8.042 -2.799 1.00 0.00 C ATOM 1455 C HIS A 90 -9.905 7.082 -1.827 1.00 0.00 C ATOM 1456 O HIS A 90 -9.652 5.931 -2.165 1.00 0.00 O ATOM 1457 CB HIS A 90 -11.900 7.454 -3.257 1.00 0.00 C ATOM 1458 CG HIS A 90 -12.872 8.462 -3.780 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -13.975 8.873 -3.069 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -12.923 9.119 -4.960 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -14.667 9.731 -3.791 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -14.051 9.901 -4.944 1.00 0.00 N ATOM 0 H HIS A 90 -9.557 7.485 -4.548 1.00 0.00 H new ATOM 0 HA HIS A 90 -10.752 8.996 -2.307 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.710 6.714 -4.034 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.357 6.927 -2.420 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.208 9.043 -5.766 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.585 10.214 -3.489 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -14.361 10.512 -5.699 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.643 7.554 -0.620 1.00 0.00 N ATOM 1472 CA ALA A 91 -8.983 6.742 0.389 1.00 0.00 C ATOM 1473 C ALA A 91 -9.897 5.610 0.853 1.00 0.00 C ATOM 1474 O ALA A 91 -9.424 4.581 1.335 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.555 7.609 1.558 1.00 0.00 C ATOM 0 H ALA A 91 -9.878 8.498 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.093 6.293 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.062 6.991 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.864 8.376 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.431 8.084 1.999 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.207 5.826 0.699 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.236 4.812 0.969 1.00 0.00 C ATOM 1483 C ASP A 92 -12.250 4.384 2.438 1.00 0.00 C ATOM 1484 O ASP A 92 -13.065 4.874 3.221 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.058 3.600 0.047 1.00 0.00 C ATOM 1486 CG ASP A 92 -13.201 2.608 0.149 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -14.369 3.027 -0.003 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -12.936 1.408 0.374 1.00 0.00 O ATOM 0 H ASP A 92 -11.588 6.717 0.381 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.204 5.268 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -11.973 3.944 -0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -11.123 3.096 0.294 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.354 3.473 2.807 1.00 0.00 N ATOM 1494 CA GLY A 93 -11.257 3.034 4.188 1.00 0.00 C ATOM 1495 C GLY A 93 -10.096 3.692 4.906 1.00 0.00 C ATOM 1496 O GLY A 93 -10.157 3.952 6.111 1.00 0.00 O ATOM 0 H GLY A 93 -10.691 3.029 2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.186 3.266 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.137 1.951 4.218 1.00 0.00 H new ATOM 1500 N LEU A 94 -9.032 3.946 4.156 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.869 4.653 4.656 1.00 0.00 C ATOM 1502 C LEU A 94 -8.197 6.124 4.873 1.00 0.00 C ATOM 1503 O LEU A 94 -9.260 6.602 4.479 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.719 4.546 3.648 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.275 3.125 3.283 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.249 2.456 2.333 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.885 3.140 2.674 1.00 0.00 C ATOM 0 H LEU A 94 -8.955 3.664 3.179 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.574 4.203 5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.015 5.059 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.859 5.082 4.050 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.256 2.546 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.897 1.451 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.232 2.397 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.319 3.038 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.587 2.122 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.890 3.751 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.178 3.557 3.391 1.00 0.00 H new ATOM 1519 N CYS A 95 -7.278 6.834 5.497 1.00 0.00 N ATOM 1520 CA CYS A 95 -7.390 8.276 5.635 1.00 0.00 C ATOM 1521 C CYS A 95 -6.274 8.950 4.850 1.00 0.00 C ATOM 1522 O CYS A 95 -6.019 10.144 4.994 1.00 0.00 O ATOM 1523 CB CYS A 95 -7.332 8.675 7.108 1.00 0.00 C ATOM 1524 SG CYS A 95 -5.989 7.889 8.027 1.00 0.00 S ATOM 0 H CYS A 95 -6.440 6.435 5.919 1.00 0.00 H new ATOM 0 HA CYS A 95 -8.350 8.602 5.235 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.222 9.757 7.177 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.280 8.420 7.581 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.991 7.661 7.226 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.618 8.156 4.014 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.503 8.623 3.209 1.00 0.00 C ATOM 1532 C HIS A 96 -4.733 8.258 1.752 1.00 0.00 C ATOM 1533 O HIS A 96 -4.846 7.082 1.413 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.191 7.998 3.692 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.807 8.390 5.086 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -3.322 7.745 6.186 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -1.962 9.361 5.501 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.779 8.334 7.234 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -1.953 9.319 6.869 1.00 0.00 N ATOM 0 H HIS A 96 -5.846 7.171 3.877 1.00 0.00 H new ATOM 0 HA HIS A 96 -4.433 9.706 3.309 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.277 6.913 3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.390 8.286 3.011 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.402 10.039 4.874 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.977 8.055 8.258 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.418 9.924 7.491 1.00 0.00 H new ATOM 1547 N ARG A 97 -4.826 9.265 0.899 1.00 0.00 N ATOM 1548 CA ARG A 97 -4.973 9.035 -0.526 1.00 0.00 C ATOM 1549 C ARG A 97 -3.630 8.611 -1.100 1.00 0.00 C ATOM 1550 O ARG A 97 -2.605 9.222 -0.789 1.00 0.00 O ATOM 1551 CB ARG A 97 -5.455 10.302 -1.238 1.00 0.00 C ATOM 1552 CG ARG A 97 -6.608 11.009 -0.541 1.00 0.00 C ATOM 1553 CD ARG A 97 -7.054 12.232 -1.327 1.00 0.00 C ATOM 1554 NE ARG A 97 -7.900 13.128 -0.535 1.00 0.00 N ATOM 1555 CZ ARG A 97 -8.975 13.756 -1.016 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -9.404 13.497 -2.247 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -9.634 14.626 -0.257 1.00 0.00 N ATOM 0 H ARG A 97 -4.802 10.248 1.170 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.715 8.252 -0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.619 10.996 -1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.762 10.041 -2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.445 10.321 -0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.303 11.308 0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.176 12.778 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -7.600 11.911 -2.214 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.653 13.281 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.911 12.817 -2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.226 13.978 -2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.318 14.814 0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.455 15.105 -0.626 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.629 7.563 -1.917 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.400 7.085 -2.540 1.00 0.00 C ATOM 1573 C LEU A 98 -1.883 8.133 -3.522 1.00 0.00 C ATOM 1574 O LEU A 98 -2.226 8.119 -4.702 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.644 5.753 -3.262 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.247 4.635 -2.404 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.388 3.360 -3.216 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.395 4.378 -1.172 1.00 0.00 C ATOM 0 H LEU A 98 -4.463 7.030 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.652 6.920 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.307 5.935 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.696 5.402 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.236 4.956 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.818 2.577 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.041 3.543 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.407 3.044 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.843 3.581 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.392 4.082 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.338 5.287 -0.573 1.00 0.00 H new ATOM 1590 N THR A 99 -1.066 9.047 -3.021 1.00 0.00 N ATOM 1591 CA THR A 99 -0.637 10.197 -3.796 1.00 0.00 C ATOM 1592 C THR A 99 0.623 9.890 -4.598 1.00 0.00 C ATOM 1593 O THR A 99 0.640 10.012 -5.827 1.00 0.00 O ATOM 1594 CB THR A 99 -0.379 11.400 -2.871 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.522 11.621 -2.032 1.00 0.00 O ATOM 1596 CG2 THR A 99 -0.089 12.655 -3.674 1.00 0.00 C ATOM 0 H THR A 99 -0.686 9.012 -2.075 1.00 0.00 H new ATOM 0 HA THR A 99 -1.438 10.440 -4.494 1.00 0.00 H new ATOM 0 HB THR A 99 0.493 11.175 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.725 10.802 -1.534 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.089 13.489 -2.995 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.794 12.495 -4.292 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.942 12.884 -4.313 1.00 0.00 H new ATOM 1604 N ASN A 100 1.672 9.487 -3.902 1.00 0.00 N ATOM 1605 CA ASN A 100 2.938 9.184 -4.545 1.00 0.00 C ATOM 1606 C ASN A 100 3.444 7.834 -4.074 1.00 0.00 C ATOM 1607 O ASN A 100 3.242 7.448 -2.923 1.00 0.00 O ATOM 1608 CB ASN A 100 3.977 10.276 -4.262 1.00 0.00 C ATOM 1609 CG ASN A 100 4.254 10.474 -2.786 1.00 0.00 C ATOM 1610 OD1 ASN A 100 3.595 11.273 -2.121 1.00 0.00 O ATOM 1611 ND2 ASN A 100 5.244 9.766 -2.268 1.00 0.00 N ATOM 0 H ASN A 100 1.671 9.362 -2.890 1.00 0.00 H new ATOM 0 HA ASN A 100 2.778 9.149 -5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.908 10.021 -4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.630 11.217 -4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.486 9.872 -1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.766 9.114 -2.854 1.00 0.00 H new ATOM 1618 N VAL A 101 4.092 7.114 -4.969 1.00 0.00 N ATOM 1619 CA VAL A 101 4.571 5.781 -4.660 1.00 0.00 C ATOM 1620 C VAL A 101 5.941 5.864 -4.001 1.00 0.00 C ATOM 1621 O VAL A 101 6.636 6.875 -4.132 1.00 0.00 O ATOM 1622 CB VAL A 101 4.659 4.898 -5.924 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.585 3.427 -5.549 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.564 5.255 -6.919 1.00 0.00 C ATOM 0 H VAL A 101 4.299 7.430 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 101 3.856 5.322 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 101 5.620 5.086 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.648 2.818 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.413 3.179 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.641 3.228 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.650 4.618 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.589 5.105 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.668 6.299 -7.215 1.00 0.00 H new ATOM 1634 N CYS A 102 6.305 4.814 -3.276 1.00 0.00 N ATOM 1635 CA CYS A 102 7.589 4.741 -2.592 1.00 0.00 C ATOM 1636 C CYS A 102 8.748 4.931 -3.567 1.00 0.00 C ATOM 1637 O CYS A 102 8.767 4.344 -4.649 1.00 0.00 O ATOM 1638 CB CYS A 102 7.720 3.394 -1.879 1.00 0.00 C ATOM 1639 SG CYS A 102 9.276 3.172 -0.985 1.00 0.00 S ATOM 0 H CYS A 102 5.719 3.990 -3.146 1.00 0.00 H new ATOM 0 HA CYS A 102 7.631 5.547 -1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.893 3.286 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.620 2.596 -2.615 1.00 0.00 H new ATOM 0 HG CYS A 102 10.270 3.497 -1.757 1.00 0.00 H new ATOM 1645 N PRO A 103 9.722 5.777 -3.196 1.00 0.00 N ATOM 1646 CA PRO A 103 10.922 6.002 -4.001 1.00 0.00 C ATOM 1647 C PRO A 103 11.872 4.807 -3.959 1.00 0.00 C ATOM 1648 O PRO A 103 11.869 4.026 -3.003 1.00 0.00 O ATOM 1649 CB PRO A 103 11.568 7.220 -3.338 1.00 0.00 C ATOM 1650 CG PRO A 103 11.104 7.172 -1.926 1.00 0.00 C ATOM 1651 CD PRO A 103 9.719 6.585 -1.962 1.00 0.00 C ATOM 0 HA PRO A 103 10.689 6.148 -5.056 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.655 7.174 -3.399 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.260 8.145 -3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.771 6.561 -1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.094 8.169 -1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.519 5.974 -1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.954 7.361 -1.992 1.00 0.00 H new ATOM 1659 N THR A 104 12.677 4.673 -5.001 1.00 0.00 N ATOM 1660 CA THR A 104 13.634 3.586 -5.101 1.00 0.00 C ATOM 1661 C THR A 104 15.001 4.029 -4.591 1.00 0.00 C ATOM 1662 O THR A 104 15.251 5.223 -4.420 1.00 0.00 O ATOM 1663 CB THR A 104 13.757 3.091 -6.558 1.00 0.00 C ATOM 1664 OG1 THR A 104 13.967 4.204 -7.445 1.00 0.00 O ATOM 1665 CG2 THR A 104 12.507 2.331 -6.981 1.00 0.00 C ATOM 0 H THR A 104 12.685 5.311 -5.796 1.00 0.00 H new ATOM 0 HA THR A 104 13.272 2.764 -4.483 1.00 0.00 H new ATOM 0 HB THR A 104 14.612 2.417 -6.614 1.00 0.00 H new ATOM 0 HG1 THR A 104 14.045 3.878 -8.366 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.618 1.993 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.367 1.469 -6.329 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.640 2.987 -6.906 1.00 0.00 H new ATOM 1673 N SER A 105 15.879 3.071 -4.348 1.00 0.00 N ATOM 1674 CA SER A 105 17.197 3.367 -3.817 1.00 0.00 C ATOM 1675 C SER A 105 18.208 3.460 -4.953 1.00 0.00 C ATOM 1676 O SER A 105 18.408 2.497 -5.697 1.00 0.00 O ATOM 1677 CB SER A 105 17.609 2.280 -2.818 1.00 0.00 C ATOM 1678 OG SER A 105 18.806 2.618 -2.130 1.00 0.00 O ATOM 0 H SER A 105 15.702 2.080 -4.511 1.00 0.00 H new ATOM 0 HA SER A 105 17.170 4.326 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 105 16.806 2.127 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.748 1.336 -3.345 1.00 0.00 H new ATOM 0 HG SER A 105 19.035 1.902 -1.501 1.00 0.00 H new ATOM 1684 N LYS A 106 18.836 4.615 -5.092 1.00 0.00 N ATOM 1685 CA LYS A 106 19.799 4.838 -6.157 1.00 0.00 C ATOM 1686 C LYS A 106 21.155 5.206 -5.566 1.00 0.00 C ATOM 1687 O LYS A 106 21.342 6.375 -5.177 1.00 0.00 O ATOM 1688 CB LYS A 106 19.309 5.910 -7.155 1.00 0.00 C ATOM 1689 CG LYS A 106 18.800 7.209 -6.531 1.00 0.00 C ATOM 1690 CD LYS A 106 17.349 7.104 -6.077 1.00 0.00 C ATOM 1691 CE LYS A 106 16.396 6.916 -7.249 1.00 0.00 C ATOM 1692 NZ LYS A 106 16.270 8.144 -8.081 1.00 0.00 N ATOM 1693 OXT LYS A 106 22.019 4.304 -5.472 1.00 0.00 O ATOM 0 H LYS A 106 18.695 5.417 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 106 19.906 3.911 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 106 20.127 6.150 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 106 18.510 5.480 -7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 106 19.427 7.470 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 106 18.894 8.018 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 106 17.245 6.266 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 106 17.075 8.005 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 106 16.748 6.093 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 106 15.413 6.633 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 15.560 7.988 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 15.974 8.941 -7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 17.188 8.363 -8.519 1.00 0.00 H new TER 1707 LYS A 106