USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 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 76 GLN : amide:sc= 0.012 X(o=0.012,f=-0.061) USER MOD Set 1.2: A 79 GLN : amide:sc= 0 K(o=0.012,f=-0.6) USER MOD Set 2.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -159:sc= -0.163 (180deg=-0.698) USER MOD Single : A 28 ASN : amide:sc= -0.0779 K(o=-0.078,f=-4.7!) USER MOD Single : A 29 ASN : amide:sc= -0.64 K(o=-0.64,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -58:sc= 0.937 USER MOD Single : A 42 THR OG1 : rot 80:sc= 1.14 USER MOD Single : A 44 CYS SG : rot 108:sc= -0.242 USER MOD Single : A 46 SER OG : rot -25:sc= 0.34 USER MOD Single : A 47 THR OG1 : rot -53:sc= 1.25 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 111:sc= -1.81! USER MOD Single : A 58 GLN : amide:sc= -0.86 K(o=-0.86,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.793 X(o=-0.79,f=-0.92) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 70:sc= 0.604 USER MOD Single : A 82 CYS SG : rot 70:sc= 0.513 USER MOD Single : A 87 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.029) USER MOD Single : A 88 LYS NZ :NH3+ -159:sc= -0.189 (180deg=-0.678) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= -0.023 (180deg=-0.169) USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= -0.0881 (180deg=-0.536) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= -0.114 (180deg=-0.448) USER MOD Single : A 99 MET CE :methyl 173:sc= -0.492 (180deg=-0.627) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 164:sc= -0.0901 (180deg=-0.359) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 24 -12.207 -4.558 -9.499 1.00 0.00 N ATOM 2 CA GLY A 24 -12.264 -5.893 -8.842 1.00 0.00 C ATOM 3 C GLY A 24 -12.972 -6.930 -9.693 1.00 0.00 C ATOM 4 O GLY A 24 -14.191 -6.881 -9.855 1.00 0.00 O ATOM 0 HA2 GLY A 24 -11.251 -6.233 -8.629 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.777 -5.802 -7.885 1.00 0.00 H new ATOM 10 N SER A 25 -12.205 -7.869 -10.239 1.00 0.00 N ATOM 11 CA SER A 25 -12.764 -8.923 -11.078 1.00 0.00 C ATOM 12 C SER A 25 -11.894 -10.174 -11.029 1.00 0.00 C ATOM 13 O SER A 25 -12.375 -11.287 -11.246 1.00 0.00 O ATOM 14 CB SER A 25 -12.898 -8.438 -12.522 1.00 0.00 C ATOM 15 OG SER A 25 -11.639 -8.060 -13.052 1.00 0.00 O ATOM 0 H SER A 25 -11.194 -7.921 -10.115 1.00 0.00 H new ATOM 0 HA SER A 25 -13.753 -9.173 -10.693 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.332 -9.228 -13.135 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.582 -7.591 -12.562 1.00 0.00 H new ATOM 0 HG SER A 25 -11.751 -7.755 -13.977 1.00 0.00 H new ATOM 21 N HIS A 26 -10.608 -9.983 -10.746 1.00 0.00 N ATOM 22 CA HIS A 26 -9.669 -11.096 -10.668 1.00 0.00 C ATOM 23 C HIS A 26 -9.438 -11.510 -9.219 1.00 0.00 C ATOM 24 O HIS A 26 -9.454 -12.697 -8.892 1.00 0.00 O ATOM 25 CB HIS A 26 -8.338 -10.717 -11.318 1.00 0.00 C ATOM 26 CG HIS A 26 -8.470 -10.286 -12.745 1.00 0.00 C ATOM 27 ND1 HIS A 26 -8.736 -11.164 -13.775 1.00 0.00 N ATOM 28 CD2 HIS A 26 -8.373 -9.060 -13.313 1.00 0.00 C ATOM 29 CE1 HIS A 26 -8.796 -10.498 -14.915 1.00 0.00 C ATOM 30 NE2 HIS A 26 -8.579 -9.220 -14.662 1.00 0.00 N ATOM 0 H HIS A 26 -10.194 -9.068 -10.567 1.00 0.00 H new ATOM 0 HA HIS A 26 -10.100 -11.940 -11.206 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.880 -9.911 -10.745 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -7.662 -11.570 -11.266 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.171 -8.131 -12.801 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.989 -10.926 -15.888 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.566 -8.473 -15.356 1.00 0.00 H new ATOM 39 N MET A 27 -9.223 -10.523 -8.354 1.00 0.00 N ATOM 40 CA MET A 27 -8.989 -10.785 -6.938 1.00 0.00 C ATOM 41 C MET A 27 -9.272 -9.541 -6.103 1.00 0.00 C ATOM 42 O MET A 27 -8.443 -8.634 -6.019 1.00 0.00 O ATOM 43 CB MET A 27 -7.549 -11.250 -6.715 1.00 0.00 C ATOM 44 CG MET A 27 -7.268 -11.695 -5.289 1.00 0.00 C ATOM 45 SD MET A 27 -5.575 -12.272 -5.063 1.00 0.00 S ATOM 46 CE MET A 27 -5.543 -13.669 -6.184 1.00 0.00 C ATOM 0 H MET A 27 -9.206 -9.535 -8.609 1.00 0.00 H new ATOM 0 HA MET A 27 -9.670 -11.575 -6.621 1.00 0.00 H new ATOM 0 HB2 MET A 27 -7.333 -12.075 -7.394 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.869 -10.438 -6.974 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.459 -10.865 -4.609 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.959 -12.493 -5.019 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.734 -14.343 -5.902 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.493 -14.200 -6.131 1.00 0.00 H new ATOM 0 HE3 MET A 27 -5.382 -13.315 -7.202 1.00 0.00 H new ATOM 56 N ASN A 28 -10.450 -9.505 -5.491 1.00 0.00 N ATOM 57 CA ASN A 28 -10.846 -8.374 -4.661 1.00 0.00 C ATOM 58 C ASN A 28 -10.080 -8.370 -3.342 1.00 0.00 C ATOM 59 O ASN A 28 -9.244 -9.240 -3.095 1.00 0.00 O ATOM 60 CB ASN A 28 -12.351 -8.416 -4.388 1.00 0.00 C ATOM 61 CG ASN A 28 -12.772 -9.667 -3.641 1.00 0.00 C ATOM 62 OD1 ASN A 28 -12.151 -10.722 -3.772 1.00 0.00 O ATOM 63 ND2 ASN A 28 -13.834 -9.554 -2.851 1.00 0.00 N ATOM 0 H ASN A 28 -11.148 -10.246 -5.554 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.606 -7.459 -5.202 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -12.636 -7.538 -3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.890 -8.363 -5.334 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -14.165 -10.361 -2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -14.318 -8.660 -2.773 1.00 0.00 H new ATOM 70 N ASN A 29 -10.373 -7.385 -2.501 1.00 0.00 N ATOM 71 CA ASN A 29 -9.718 -7.262 -1.205 1.00 0.00 C ATOM 72 C ASN A 29 -10.275 -8.283 -0.218 1.00 0.00 C ATOM 73 O ASN A 29 -11.064 -9.151 -0.591 1.00 0.00 O ATOM 74 CB ASN A 29 -9.906 -5.847 -0.654 1.00 0.00 C ATOM 75 CG ASN A 29 -9.459 -4.779 -1.633 1.00 0.00 C ATOM 76 OD1 ASN A 29 -10.034 -3.692 -1.687 1.00 0.00 O ATOM 77 ND2 ASN A 29 -8.424 -5.080 -2.411 1.00 0.00 N ATOM 0 H ASN A 29 -11.062 -6.658 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 29 -8.654 -7.456 -1.339 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.957 -5.693 -0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.343 -5.744 0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.077 -4.398 -3.085 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.976 -5.993 -2.334 1.00 0.00 H new ATOM 84 N GLU A 30 -9.860 -8.174 1.040 1.00 0.00 N ATOM 85 CA GLU A 30 -10.323 -9.089 2.078 1.00 0.00 C ATOM 86 C GLU A 30 -10.713 -8.327 3.341 1.00 0.00 C ATOM 87 O GLU A 30 -11.894 -8.093 3.596 1.00 0.00 O ATOM 88 CB GLU A 30 -9.238 -10.119 2.400 1.00 0.00 C ATOM 89 CG GLU A 30 -8.852 -10.988 1.214 1.00 0.00 C ATOM 90 CD GLU A 30 -7.728 -11.952 1.537 1.00 0.00 C ATOM 91 OE1 GLU A 30 -8.020 -13.060 2.032 1.00 0.00 O ATOM 92 OE2 GLU A 30 -6.555 -11.598 1.296 1.00 0.00 O ATOM 0 H GLU A 30 -9.205 -7.463 1.365 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.205 -9.608 1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.351 -9.599 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.586 -10.759 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.724 -11.551 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.550 -10.349 0.384 1.00 0.00 H new ATOM 99 N ASP A 31 -9.712 -7.943 4.126 1.00 0.00 N ATOM 100 CA ASP A 31 -9.947 -7.203 5.360 1.00 0.00 C ATOM 101 C ASP A 31 -8.868 -6.144 5.562 1.00 0.00 C ATOM 102 O ASP A 31 -7.850 -6.397 6.202 1.00 0.00 O ATOM 103 CB ASP A 31 -9.982 -8.156 6.557 1.00 0.00 C ATOM 104 CG ASP A 31 -11.144 -9.127 6.488 1.00 0.00 C ATOM 105 OD1 ASP A 31 -12.235 -8.784 6.988 1.00 0.00 O ATOM 106 OD2 ASP A 31 -10.962 -10.232 5.933 1.00 0.00 O ATOM 0 H ASP A 31 -8.729 -8.132 3.929 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.913 -6.705 5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.047 -8.715 6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.050 -7.576 7.478 1.00 0.00 H new ATOM 111 N PHE A 32 -9.101 -4.961 5.001 1.00 0.00 N ATOM 112 CA PHE A 32 -8.155 -3.858 5.100 1.00 0.00 C ATOM 113 C PHE A 32 -7.713 -3.623 6.545 1.00 0.00 C ATOM 114 O PHE A 32 -6.604 -3.150 6.794 1.00 0.00 O ATOM 115 CB PHE A 32 -8.785 -2.585 4.534 1.00 0.00 C ATOM 116 CG PHE A 32 -7.911 -1.371 4.652 1.00 0.00 C ATOM 117 CD1 PHE A 32 -6.894 -1.144 3.742 1.00 0.00 C ATOM 118 CD2 PHE A 32 -8.108 -0.460 5.676 1.00 0.00 C ATOM 119 CE1 PHE A 32 -6.087 -0.027 3.849 1.00 0.00 C ATOM 120 CE2 PHE A 32 -7.305 0.659 5.790 1.00 0.00 C ATOM 121 CZ PHE A 32 -6.293 0.876 4.875 1.00 0.00 C ATOM 0 H PHE A 32 -9.944 -4.742 4.470 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.270 -4.120 4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.026 -2.747 3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.725 -2.395 5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.729 -1.847 2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.898 -0.626 6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.297 0.140 3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.468 1.363 6.593 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.664 1.750 4.961 1.00 0.00 H new ATOM 131 N SER A 33 -8.582 -3.961 7.491 1.00 0.00 N ATOM 132 CA SER A 33 -8.281 -3.776 8.907 1.00 0.00 C ATOM 133 C SER A 33 -7.507 -4.964 9.474 1.00 0.00 C ATOM 134 O SER A 33 -6.771 -4.823 10.452 1.00 0.00 O ATOM 135 CB SER A 33 -9.575 -3.576 9.697 1.00 0.00 C ATOM 136 OG SER A 33 -10.277 -2.432 9.244 1.00 0.00 O ATOM 0 H SER A 33 -9.500 -4.364 7.304 1.00 0.00 H new ATOM 0 HA SER A 33 -7.655 -2.888 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.207 -4.458 9.595 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.345 -3.469 10.757 1.00 0.00 H new ATOM 0 HG SER A 33 -11.101 -2.327 9.764 1.00 0.00 H new ATOM 142 N GLN A 34 -7.678 -6.130 8.861 1.00 0.00 N ATOM 143 CA GLN A 34 -6.999 -7.339 9.318 1.00 0.00 C ATOM 144 C GLN A 34 -6.082 -7.906 8.232 1.00 0.00 C ATOM 145 O GLN A 34 -5.864 -9.115 8.159 1.00 0.00 O ATOM 146 CB GLN A 34 -8.035 -8.388 9.738 1.00 0.00 C ATOM 147 CG GLN A 34 -7.470 -9.499 10.608 1.00 0.00 C ATOM 148 CD GLN A 34 -8.541 -10.452 11.102 1.00 0.00 C ATOM 149 OE1 GLN A 34 -9.131 -10.245 12.163 1.00 0.00 O ATOM 150 NE2 GLN A 34 -8.798 -11.504 10.334 1.00 0.00 N ATOM 0 H GLN A 34 -8.279 -6.265 8.048 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.379 -7.079 10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.841 -7.892 10.278 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.474 -8.829 8.843 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.725 -10.057 10.041 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.956 -9.060 11.463 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.285 -11.637 9.462 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.508 -12.180 10.616 1.00 0.00 H new ATOM 159 N TRP A 35 -5.538 -7.025 7.396 1.00 0.00 N ATOM 160 CA TRP A 35 -4.641 -7.447 6.323 1.00 0.00 C ATOM 161 C TRP A 35 -3.263 -7.803 6.870 1.00 0.00 C ATOM 162 O TRP A 35 -2.876 -7.349 7.947 1.00 0.00 O ATOM 163 CB TRP A 35 -4.507 -6.344 5.265 1.00 0.00 C ATOM 164 CG TRP A 35 -5.372 -6.548 4.053 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.410 -7.426 3.916 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.266 -5.856 2.804 1.00 0.00 C ATOM 167 NE1 TRP A 35 -6.962 -7.313 2.664 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.276 -6.359 1.961 1.00 0.00 C ATOM 169 CE3 TRP A 35 -4.419 -4.857 2.315 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.460 -5.898 0.660 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.601 -4.401 1.024 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.615 -4.921 0.208 1.00 0.00 C ATOM 0 H TRP A 35 -5.701 -6.019 7.440 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.073 -8.334 5.860 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.758 -5.386 5.720 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.466 -6.283 4.949 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.747 -8.109 4.681 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.754 -7.852 2.314 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.636 -4.449 2.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.241 -6.297 0.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.951 -3.631 0.637 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.732 -4.543 -0.797 1.00 0.00 H new ATOM 183 N SER A 36 -2.531 -8.619 6.121 1.00 0.00 N ATOM 184 CA SER A 36 -1.194 -9.035 6.525 1.00 0.00 C ATOM 185 C SER A 36 -0.138 -8.413 5.618 1.00 0.00 C ATOM 186 O SER A 36 -0.465 -7.711 4.660 1.00 0.00 O ATOM 187 CB SER A 36 -1.077 -10.559 6.495 1.00 0.00 C ATOM 188 OG SER A 36 -1.262 -11.059 5.183 1.00 0.00 O ATOM 0 H SER A 36 -2.841 -9.006 5.230 1.00 0.00 H new ATOM 0 HA SER A 36 -1.024 -8.688 7.544 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.097 -10.859 6.867 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.819 -10.997 7.162 1.00 0.00 H new ATOM 0 HG SER A 36 -2.139 -10.779 4.847 1.00 0.00 H new ATOM 194 N VAL A 37 1.129 -8.676 5.922 1.00 0.00 N ATOM 195 CA VAL A 37 2.232 -8.138 5.135 1.00 0.00 C ATOM 196 C VAL A 37 2.169 -8.620 3.688 1.00 0.00 C ATOM 197 O VAL A 37 2.416 -7.852 2.758 1.00 0.00 O ATOM 198 CB VAL A 37 3.596 -8.534 5.736 1.00 0.00 C ATOM 199 CG1 VAL A 37 4.732 -7.930 4.928 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.687 -8.106 7.193 1.00 0.00 C ATOM 0 H VAL A 37 1.417 -9.259 6.708 1.00 0.00 H new ATOM 0 HA VAL A 37 2.132 -7.053 5.156 1.00 0.00 H new ATOM 0 HB VAL A 37 3.685 -9.620 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.686 -8.221 5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.681 -8.292 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.646 -6.843 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.657 -8.395 7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.573 -7.024 7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.896 -8.592 7.765 1.00 0.00 H new ATOM 210 N ASP A 38 1.834 -9.893 3.506 1.00 0.00 N ATOM 211 CA ASP A 38 1.746 -10.482 2.173 1.00 0.00 C ATOM 212 C ASP A 38 0.739 -9.738 1.299 1.00 0.00 C ATOM 213 O ASP A 38 0.998 -9.482 0.122 1.00 0.00 O ATOM 214 CB ASP A 38 1.354 -11.958 2.272 1.00 0.00 C ATOM 215 CG ASP A 38 2.334 -12.762 3.104 1.00 0.00 C ATOM 216 OD1 ASP A 38 3.352 -13.220 2.544 1.00 0.00 O ATOM 217 OD2 ASP A 38 2.083 -12.934 4.315 1.00 0.00 O ATOM 0 H ASP A 38 1.618 -10.538 4.266 1.00 0.00 H new ATOM 0 HA ASP A 38 2.728 -10.397 1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.359 -12.038 2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.297 -12.384 1.270 1.00 0.00 H new ATOM 222 N ASP A 39 -0.406 -9.394 1.878 1.00 0.00 N ATOM 223 CA ASP A 39 -1.451 -8.688 1.143 1.00 0.00 C ATOM 224 C ASP A 39 -1.028 -7.262 0.801 1.00 0.00 C ATOM 225 O ASP A 39 -1.281 -6.780 -0.302 1.00 0.00 O ATOM 226 CB ASP A 39 -2.748 -8.664 1.954 1.00 0.00 C ATOM 227 CG ASP A 39 -3.320 -10.051 2.175 1.00 0.00 C ATOM 228 OD1 ASP A 39 -4.006 -10.562 1.264 1.00 0.00 O ATOM 229 OD2 ASP A 39 -3.082 -10.626 3.257 1.00 0.00 O ATOM 0 H ASP A 39 -0.635 -9.592 2.852 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.618 -9.226 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.561 -8.194 2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.485 -8.049 1.437 1.00 0.00 H new ATOM 234 N VAL A 40 -0.384 -6.591 1.751 1.00 0.00 N ATOM 235 CA VAL A 40 0.065 -5.217 1.545 1.00 0.00 C ATOM 236 C VAL A 40 1.123 -5.133 0.446 1.00 0.00 C ATOM 237 O VAL A 40 1.127 -4.192 -0.349 1.00 0.00 O ATOM 238 CB VAL A 40 0.629 -4.609 2.847 1.00 0.00 C ATOM 239 CG1 VAL A 40 1.167 -3.207 2.601 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.438 -4.589 3.930 1.00 0.00 C ATOM 0 H VAL A 40 -0.161 -6.975 2.669 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.809 -4.644 1.236 1.00 0.00 H new ATOM 0 HB VAL A 40 1.455 -5.235 3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.559 -2.799 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.964 -3.248 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.363 -2.568 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.024 -4.157 4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.284 -3.988 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.772 -5.607 4.130 1.00 0.00 H new ATOM 250 N ILE A 41 2.016 -6.117 0.403 1.00 0.00 N ATOM 251 CA ILE A 41 3.076 -6.142 -0.602 1.00 0.00 C ATOM 252 C ILE A 41 2.520 -6.442 -1.991 1.00 0.00 C ATOM 253 O ILE A 41 2.746 -5.685 -2.935 1.00 0.00 O ATOM 254 CB ILE A 41 4.154 -7.190 -0.259 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.834 -6.843 1.065 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.182 -7.281 -1.380 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.758 -7.929 1.575 1.00 0.00 C ATOM 0 H ILE A 41 2.028 -6.906 1.050 1.00 0.00 H new ATOM 0 HA ILE A 41 3.527 -5.150 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 41 3.671 -8.162 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.403 -5.922 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.069 -6.646 1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.936 -8.025 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.686 -7.572 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.660 -6.311 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.205 -7.613 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.190 -8.846 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.545 -8.110 0.843 1.00 0.00 H new ATOM 269 N THR A 42 1.797 -7.552 -2.107 1.00 0.00 N ATOM 270 CA THR A 42 1.216 -7.959 -3.381 1.00 0.00 C ATOM 271 C THR A 42 0.419 -6.826 -4.020 1.00 0.00 C ATOM 272 O THR A 42 0.680 -6.444 -5.160 1.00 0.00 O ATOM 273 CB THR A 42 0.299 -9.186 -3.216 1.00 0.00 C ATOM 274 OG1 THR A 42 1.006 -10.240 -2.551 1.00 0.00 O ATOM 275 CG2 THR A 42 -0.195 -9.682 -4.568 1.00 0.00 C ATOM 0 H THR A 42 1.600 -8.186 -1.333 1.00 0.00 H new ATOM 0 HA THR A 42 2.050 -8.220 -4.033 1.00 0.00 H new ATOM 0 HB THR A 42 -0.562 -8.887 -2.618 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.024 -10.065 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.840 -10.549 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.756 -8.890 -5.063 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.658 -9.963 -5.186 1.00 0.00 H new ATOM 283 N TRP A 43 -0.552 -6.295 -3.282 1.00 0.00 N ATOM 284 CA TRP A 43 -1.381 -5.204 -3.787 1.00 0.00 C ATOM 285 C TRP A 43 -0.524 -4.012 -4.197 1.00 0.00 C ATOM 286 O TRP A 43 -0.777 -3.376 -5.220 1.00 0.00 O ATOM 287 CB TRP A 43 -2.403 -4.771 -2.734 1.00 0.00 C ATOM 288 CG TRP A 43 -3.234 -3.601 -3.165 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.330 -3.632 -3.979 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.030 -2.228 -2.815 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.822 -2.361 -4.154 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.041 -1.482 -3.450 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.093 -1.557 -2.024 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.139 -0.099 -3.320 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.191 -0.184 -1.896 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.208 0.532 -2.541 1.00 0.00 C ATOM 0 H TRP A 43 -0.784 -6.600 -2.337 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.912 -5.569 -4.666 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.060 -5.611 -2.507 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.880 -4.517 -1.812 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.749 -4.524 -4.420 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.636 -2.112 -4.716 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.307 -2.101 -1.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.922 0.456 -3.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.472 0.345 -1.289 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.258 1.604 -2.421 1.00 0.00 H new ATOM 307 N CYS A 44 0.487 -3.712 -3.388 1.00 0.00 N ATOM 308 CA CYS A 44 1.383 -2.597 -3.668 1.00 0.00 C ATOM 309 C CYS A 44 2.036 -2.758 -5.036 1.00 0.00 C ATOM 310 O CYS A 44 1.729 -2.019 -5.969 1.00 0.00 O ATOM 311 CB CYS A 44 2.456 -2.495 -2.582 1.00 0.00 C ATOM 312 SG CYS A 44 3.674 -1.189 -2.866 1.00 0.00 S ATOM 0 H CYS A 44 0.706 -4.225 -2.534 1.00 0.00 H new ATOM 0 HA CYS A 44 0.795 -1.679 -3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.970 -2.321 -1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.975 -3.451 -2.508 1.00 0.00 H new ATOM 0 HG CYS A 44 3.471 -0.216 -2.028 1.00 0.00 H new ATOM 318 N ILE A 45 2.929 -3.737 -5.146 1.00 0.00 N ATOM 319 CA ILE A 45 3.637 -4.007 -6.395 1.00 0.00 C ATOM 320 C ILE A 45 2.668 -4.217 -7.558 1.00 0.00 C ATOM 321 O ILE A 45 3.021 -4.012 -8.719 1.00 0.00 O ATOM 322 CB ILE A 45 4.531 -5.257 -6.263 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.409 -5.156 -5.013 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.390 -5.430 -7.506 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.131 -6.444 -4.677 1.00 0.00 C ATOM 0 H ILE A 45 3.181 -4.361 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 45 4.255 -3.133 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 45 3.889 -6.133 -6.164 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.144 -4.364 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.789 -4.865 -4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.015 -6.317 -7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.748 -5.545 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.024 -4.553 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.734 -6.300 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.402 -7.235 -4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.778 -6.726 -5.508 1.00 0.00 H new ATOM 337 N SER A 46 1.443 -4.620 -7.237 1.00 0.00 N ATOM 338 CA SER A 46 0.425 -4.873 -8.253 1.00 0.00 C ATOM 339 C SER A 46 0.046 -3.599 -9.006 1.00 0.00 C ATOM 340 O SER A 46 -0.613 -3.662 -10.044 1.00 0.00 O ATOM 341 CB SER A 46 -0.821 -5.484 -7.612 1.00 0.00 C ATOM 342 OG SER A 46 -1.821 -5.742 -8.583 1.00 0.00 O ATOM 0 H SER A 46 1.130 -4.779 -6.279 1.00 0.00 H new ATOM 0 HA SER A 46 0.848 -5.575 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.555 -6.411 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.213 -4.806 -6.853 1.00 0.00 H new ATOM 0 HG SER A 46 -1.699 -5.140 -9.347 1.00 0.00 H new ATOM 348 N THR A 47 0.460 -2.446 -8.488 1.00 0.00 N ATOM 349 CA THR A 47 0.136 -1.174 -9.128 1.00 0.00 C ATOM 350 C THR A 47 1.005 -0.030 -8.606 1.00 0.00 C ATOM 351 O THR A 47 0.658 1.140 -8.770 1.00 0.00 O ATOM 352 CB THR A 47 -1.347 -0.813 -8.909 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.654 0.432 -9.547 1.00 0.00 O ATOM 354 CG2 THR A 47 -1.669 -0.721 -7.423 1.00 0.00 C ATOM 0 H THR A 47 1.015 -2.365 -7.636 1.00 0.00 H new ATOM 0 HA THR A 47 0.334 -1.303 -10.192 1.00 0.00 H new ATOM 0 HB THR A 47 -1.956 -1.603 -9.350 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.020 1.117 -9.249 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.721 -0.465 -7.294 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.468 -1.681 -6.947 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.049 0.049 -6.963 1.00 0.00 H new ATOM 362 N LEU A 48 2.137 -0.358 -7.992 1.00 0.00 N ATOM 363 CA LEU A 48 3.021 0.671 -7.454 1.00 0.00 C ATOM 364 C LEU A 48 3.927 1.236 -8.543 1.00 0.00 C ATOM 365 O LEU A 48 3.767 2.384 -8.960 1.00 0.00 O ATOM 366 CB LEU A 48 3.875 0.097 -6.315 1.00 0.00 C ATOM 367 CG LEU A 48 4.380 1.111 -5.281 1.00 0.00 C ATOM 368 CD1 LEU A 48 5.337 2.109 -5.914 1.00 0.00 C ATOM 369 CD2 LEU A 48 3.211 1.832 -4.627 1.00 0.00 C ATOM 0 H LEU A 48 2.462 -1.315 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 48 2.400 1.479 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.290 -0.662 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.737 -0.408 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 48 4.926 0.565 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.679 2.815 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.194 1.578 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.825 2.649 -6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.588 2.548 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.637 2.359 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.570 1.106 -4.127 1.00 0.00 H new ATOM 381 N GLU A 49 4.878 0.428 -8.997 1.00 0.00 N ATOM 382 CA GLU A 49 5.804 0.858 -10.037 1.00 0.00 C ATOM 383 C GLU A 49 6.134 -0.279 -10.998 1.00 0.00 C ATOM 384 O GLU A 49 5.841 -0.204 -12.192 1.00 0.00 O ATOM 385 CB GLU A 49 7.090 1.399 -9.412 1.00 0.00 C ATOM 386 CG GLU A 49 8.089 1.924 -10.431 1.00 0.00 C ATOM 387 CD GLU A 49 7.567 3.126 -11.195 1.00 0.00 C ATOM 388 OE1 GLU A 49 7.698 4.257 -10.682 1.00 0.00 O ATOM 389 OE2 GLU A 49 7.027 2.935 -12.305 1.00 0.00 O ATOM 0 H GLU A 49 5.028 -0.524 -8.663 1.00 0.00 H new ATOM 0 HA GLU A 49 5.317 1.651 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.837 2.200 -8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.561 0.608 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.013 2.196 -9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.335 1.129 -11.135 1.00 0.00 H new ATOM 396 N VAL A 50 6.747 -1.331 -10.463 1.00 0.00 N ATOM 397 CA VAL A 50 7.153 -2.478 -11.268 1.00 0.00 C ATOM 398 C VAL A 50 6.386 -3.743 -10.887 1.00 0.00 C ATOM 399 O VAL A 50 5.375 -3.686 -10.186 1.00 0.00 O ATOM 400 CB VAL A 50 8.666 -2.738 -11.118 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.460 -1.517 -11.557 1.00 0.00 C ATOM 402 CG2 VAL A 50 9.004 -3.109 -9.682 1.00 0.00 C ATOM 0 H VAL A 50 6.974 -1.412 -9.472 1.00 0.00 H new ATOM 0 HA VAL A 50 6.922 -2.235 -12.305 1.00 0.00 H new ATOM 0 HB VAL A 50 8.939 -3.575 -11.761 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.526 -1.716 -11.445 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.240 -1.296 -12.601 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.184 -0.662 -10.939 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.076 -3.289 -9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.718 -2.293 -9.018 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.461 -4.012 -9.402 1.00 0.00 H new ATOM 412 N GLU A 51 6.882 -4.885 -11.359 1.00 0.00 N ATOM 413 CA GLU A 51 6.262 -6.176 -11.082 1.00 0.00 C ATOM 414 C GLU A 51 6.993 -6.888 -9.951 1.00 0.00 C ATOM 415 O GLU A 51 7.847 -6.298 -9.288 1.00 0.00 O ATOM 416 CB GLU A 51 6.286 -7.050 -12.336 1.00 0.00 C ATOM 417 CG GLU A 51 7.680 -7.225 -12.919 1.00 0.00 C ATOM 418 CD GLU A 51 7.765 -8.379 -13.898 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.502 -8.160 -15.099 1.00 0.00 O ATOM 420 OE2 GLU A 51 8.096 -9.503 -13.464 1.00 0.00 O ATOM 0 H GLU A 51 7.719 -4.940 -11.940 1.00 0.00 H new ATOM 0 HA GLU A 51 5.229 -6.003 -10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.874 -8.030 -12.096 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.636 -6.608 -13.091 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.977 -6.305 -13.422 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.390 -7.389 -12.109 1.00 0.00 H new ATOM 427 N GLU A 52 6.654 -8.156 -9.728 1.00 0.00 N ATOM 428 CA GLU A 52 7.294 -8.930 -8.674 1.00 0.00 C ATOM 429 C GLU A 52 8.695 -9.365 -9.098 1.00 0.00 C ATOM 430 O GLU A 52 8.932 -10.528 -9.423 1.00 0.00 O ATOM 431 CB GLU A 52 6.445 -10.154 -8.323 1.00 0.00 C ATOM 432 CG GLU A 52 5.888 -10.123 -6.909 1.00 0.00 C ATOM 433 CD GLU A 52 6.968 -10.256 -5.853 1.00 0.00 C ATOM 434 OE1 GLU A 52 7.290 -11.402 -5.474 1.00 0.00 O ATOM 435 OE2 GLU A 52 7.493 -9.214 -5.406 1.00 0.00 O ATOM 0 H GLU A 52 5.946 -8.663 -10.259 1.00 0.00 H new ATOM 0 HA GLU A 52 7.382 -8.297 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.618 -10.226 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.049 -11.053 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.348 -9.188 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.166 -10.931 -6.789 1.00 0.00 H new ATOM 442 N THR A 53 9.613 -8.405 -9.105 1.00 0.00 N ATOM 443 CA THR A 53 10.999 -8.657 -9.468 1.00 0.00 C ATOM 444 C THR A 53 11.935 -7.819 -8.608 1.00 0.00 C ATOM 445 O THR A 53 12.993 -8.278 -8.177 1.00 0.00 O ATOM 446 CB THR A 53 11.263 -8.353 -10.949 1.00 0.00 C ATOM 447 OG1 THR A 53 12.661 -8.472 -11.238 1.00 0.00 O ATOM 448 CG2 THR A 53 10.787 -6.962 -11.280 1.00 0.00 C ATOM 0 H THR A 53 9.417 -7.435 -8.860 1.00 0.00 H new ATOM 0 HA THR A 53 11.190 -9.716 -9.295 1.00 0.00 H new ATOM 0 HB THR A 53 10.716 -9.072 -11.558 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.817 -8.277 -12.186 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.978 -6.753 -12.333 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.718 -6.887 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.321 -6.238 -10.664 1.00 0.00 H new ATOM 456 N ASP A 54 11.521 -6.580 -8.365 1.00 0.00 N ATOM 457 CA ASP A 54 12.293 -5.639 -7.566 1.00 0.00 C ATOM 458 C ASP A 54 12.253 -6.014 -6.081 1.00 0.00 C ATOM 459 O ASP A 54 11.238 -6.510 -5.591 1.00 0.00 O ATOM 460 CB ASP A 54 11.736 -4.227 -7.778 1.00 0.00 C ATOM 461 CG ASP A 54 12.469 -3.176 -6.966 1.00 0.00 C ATOM 462 OD1 ASP A 54 13.506 -2.673 -7.446 1.00 0.00 O ATOM 463 OD2 ASP A 54 12.009 -2.859 -5.851 1.00 0.00 O ATOM 0 H ASP A 54 10.642 -6.201 -8.717 1.00 0.00 H new ATOM 0 HA ASP A 54 13.335 -5.673 -7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.800 -3.972 -8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.679 -4.214 -7.510 1.00 0.00 H new ATOM 468 N PRO A 55 13.363 -5.787 -5.346 1.00 0.00 N ATOM 469 CA PRO A 55 13.451 -6.105 -3.911 1.00 0.00 C ATOM 470 C PRO A 55 12.399 -5.389 -3.063 1.00 0.00 C ATOM 471 O PRO A 55 12.367 -5.551 -1.843 1.00 0.00 O ATOM 472 CB PRO A 55 14.855 -5.631 -3.517 1.00 0.00 C ATOM 473 CG PRO A 55 15.620 -5.594 -4.793 1.00 0.00 C ATOM 474 CD PRO A 55 14.627 -5.218 -5.854 1.00 0.00 C ATOM 0 HA PRO A 55 13.272 -7.166 -3.737 1.00 0.00 H new ATOM 0 HB2 PRO A 55 14.823 -4.648 -3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.315 -6.312 -2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 55 16.431 -4.868 -4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.072 -6.563 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.561 -4.137 -5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 55 14.896 -5.636 -6.824 1.00 0.00 H new ATOM 482 N LEU A 56 11.550 -4.590 -3.707 1.00 0.00 N ATOM 483 CA LEU A 56 10.501 -3.853 -3.005 1.00 0.00 C ATOM 484 C LEU A 56 9.719 -4.768 -2.064 1.00 0.00 C ATOM 485 O LEU A 56 9.215 -4.327 -1.032 1.00 0.00 O ATOM 486 CB LEU A 56 9.546 -3.204 -4.009 1.00 0.00 C ATOM 487 CG LEU A 56 8.492 -2.277 -3.401 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.143 -1.024 -2.835 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.443 -1.912 -4.441 1.00 0.00 C ATOM 0 H LEU A 56 11.568 -4.436 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 56 10.980 -3.076 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.134 -2.636 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.037 -3.992 -4.563 1.00 0.00 H new ATOM 0 HG LEU A 56 7.999 -2.804 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.377 -0.377 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.857 -1.303 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.663 -0.492 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.700 -1.252 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.922 -1.404 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.954 -2.818 -4.798 1.00 0.00 H new ATOM 501 N CYS A 57 9.624 -6.043 -2.427 1.00 0.00 N ATOM 502 CA CYS A 57 8.904 -7.021 -1.617 1.00 0.00 C ATOM 503 C CYS A 57 9.706 -7.398 -0.375 1.00 0.00 C ATOM 504 O CYS A 57 9.154 -7.527 0.718 1.00 0.00 O ATOM 505 CB CYS A 57 8.605 -8.273 -2.445 1.00 0.00 C ATOM 506 SG CYS A 57 7.859 -9.624 -1.503 1.00 0.00 S ATOM 0 H CYS A 57 10.037 -6.424 -3.278 1.00 0.00 H new ATOM 0 HA CYS A 57 7.965 -6.570 -1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.937 -8.003 -3.263 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.532 -8.627 -2.895 1.00 0.00 H new ATOM 0 HG CYS A 57 6.625 -9.786 -1.879 1.00 0.00 H new ATOM 512 N GLN A 58 11.013 -7.571 -0.553 1.00 0.00 N ATOM 513 CA GLN A 58 11.896 -7.938 0.550 1.00 0.00 C ATOM 514 C GLN A 58 11.922 -6.850 1.621 1.00 0.00 C ATOM 515 O GLN A 58 11.925 -7.143 2.817 1.00 0.00 O ATOM 516 CB GLN A 58 13.313 -8.188 0.032 1.00 0.00 C ATOM 517 CG GLN A 58 14.273 -8.694 1.100 1.00 0.00 C ATOM 518 CD GLN A 58 15.688 -8.880 0.580 1.00 0.00 C ATOM 519 OE1 GLN A 58 16.656 -8.726 1.323 1.00 0.00 O ATOM 520 NE2 GLN A 58 15.814 -9.217 -0.699 1.00 0.00 N ATOM 0 H GLN A 58 11.484 -7.463 -1.451 1.00 0.00 H new ATOM 0 HA GLN A 58 11.509 -8.853 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.271 -8.914 -0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.706 -7.262 -0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.286 -7.991 1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 58 13.907 -9.643 1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.984 -9.334 -1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.741 -9.358 -1.100 1.00 0.00 H new ATOM 529 N ARG A 59 11.939 -5.594 1.184 1.00 0.00 N ATOM 530 CA ARG A 59 11.972 -4.463 2.105 1.00 0.00 C ATOM 531 C ARG A 59 10.675 -4.366 2.904 1.00 0.00 C ATOM 532 O ARG A 59 10.689 -4.412 4.134 1.00 0.00 O ATOM 533 CB ARG A 59 12.211 -3.159 1.342 1.00 0.00 C ATOM 534 CG ARG A 59 12.568 -1.987 2.241 1.00 0.00 C ATOM 535 CD ARG A 59 13.926 -2.181 2.898 1.00 0.00 C ATOM 536 NE ARG A 59 14.226 -1.127 3.864 1.00 0.00 N ATOM 537 CZ ARG A 59 15.460 -0.805 4.245 1.00 0.00 C ATOM 538 NH1 ARG A 59 16.504 -1.448 3.740 1.00 0.00 N ATOM 539 NH2 ARG A 59 15.649 0.161 5.134 1.00 0.00 N ATOM 0 H ARG A 59 11.930 -5.334 0.198 1.00 0.00 H new ATOM 0 HA ARG A 59 12.794 -4.625 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.014 -3.311 0.621 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.315 -2.911 0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.574 -1.067 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.804 -1.871 3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.951 -3.149 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.700 -2.200 2.131 1.00 0.00 H new ATOM 0 HE ARG A 59 13.446 -0.609 4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.363 -2.192 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.448 -1.198 4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.849 0.657 5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.595 0.408 5.426 1.00 0.00 H new ATOM 553 N LEU A 60 9.557 -4.226 2.195 1.00 0.00 N ATOM 554 CA LEU A 60 8.249 -4.122 2.835 1.00 0.00 C ATOM 555 C LEU A 60 8.048 -5.237 3.856 1.00 0.00 C ATOM 556 O LEU A 60 7.476 -5.016 4.925 1.00 0.00 O ATOM 557 CB LEU A 60 7.136 -4.169 1.786 1.00 0.00 C ATOM 558 CG LEU A 60 7.123 -3.002 0.797 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.098 -3.245 -0.300 1.00 0.00 C ATOM 560 CD2 LEU A 60 6.828 -1.694 1.518 1.00 0.00 C ATOM 0 H LEU A 60 9.531 -4.182 1.176 1.00 0.00 H new ATOM 0 HA LEU A 60 8.207 -3.166 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.227 -5.099 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.175 -4.199 2.300 1.00 0.00 H new ATOM 0 HG LEU A 60 8.109 -2.929 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.102 -2.405 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.349 -4.160 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.107 -3.344 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.823 -0.875 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.854 -1.757 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.596 -1.512 2.270 1.00 0.00 H new ATOM 572 N ARG A 61 8.518 -6.434 3.524 1.00 0.00 N ATOM 573 CA ARG A 61 8.390 -7.578 4.419 1.00 0.00 C ATOM 574 C ARG A 61 9.184 -7.351 5.700 1.00 0.00 C ATOM 575 O ARG A 61 8.718 -7.672 6.794 1.00 0.00 O ATOM 576 CB ARG A 61 8.864 -8.859 3.728 1.00 0.00 C ATOM 577 CG ARG A 61 8.655 -10.109 4.567 1.00 0.00 C ATOM 578 CD ARG A 61 9.140 -11.357 3.846 1.00 0.00 C ATOM 579 NE ARG A 61 8.895 -12.567 4.627 1.00 0.00 N ATOM 580 CZ ARG A 61 9.557 -13.707 4.454 1.00 0.00 C ATOM 581 NH1 ARG A 61 10.504 -13.795 3.530 1.00 0.00 N ATOM 582 NH2 ARG A 61 9.272 -14.760 5.207 1.00 0.00 N ATOM 0 H ARG A 61 8.990 -6.637 2.643 1.00 0.00 H new ATOM 0 HA ARG A 61 7.337 -7.689 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.333 -8.971 2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.923 -8.764 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.186 -10.005 5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.597 -10.215 4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.637 -11.439 2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.207 -11.267 3.641 1.00 0.00 H new ATOM 0 HE ARG A 61 8.174 -12.535 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.727 -12.987 2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.010 -14.671 3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.545 -14.696 5.919 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.780 -15.634 5.074 1.00 0.00 H new ATOM 596 N GLU A 62 10.385 -6.797 5.557 1.00 0.00 N ATOM 597 CA GLU A 62 11.241 -6.524 6.706 1.00 0.00 C ATOM 598 C GLU A 62 10.531 -5.618 7.702 1.00 0.00 C ATOM 599 O GLU A 62 10.676 -5.777 8.914 1.00 0.00 O ATOM 600 CB GLU A 62 12.553 -5.877 6.249 1.00 0.00 C ATOM 601 CG GLU A 62 13.480 -5.501 7.392 1.00 0.00 C ATOM 602 CD GLU A 62 14.746 -4.820 6.913 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.699 -3.603 6.637 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.787 -5.503 6.815 1.00 0.00 O ATOM 0 H GLU A 62 10.786 -6.529 4.658 1.00 0.00 H new ATOM 0 HA GLU A 62 11.466 -7.470 7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.074 -6.564 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.324 -4.983 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.953 -4.839 8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.744 -6.398 7.952 1.00 0.00 H new ATOM 611 N ASN A 63 9.759 -4.669 7.184 1.00 0.00 N ATOM 612 CA ASN A 63 9.019 -3.744 8.030 1.00 0.00 C ATOM 613 C ASN A 63 7.597 -4.247 8.253 1.00 0.00 C ATOM 614 O ASN A 63 6.690 -3.937 7.481 1.00 0.00 O ATOM 615 CB ASN A 63 8.991 -2.348 7.404 1.00 0.00 C ATOM 616 CG ASN A 63 10.382 -1.807 7.142 1.00 0.00 C ATOM 617 OD1 ASN A 63 10.967 -1.130 7.989 1.00 0.00 O ATOM 618 ND2 ASN A 63 10.922 -2.102 5.965 1.00 0.00 N ATOM 0 H ASN A 63 9.630 -4.521 6.183 1.00 0.00 H new ATOM 0 HA ASN A 63 9.524 -3.683 8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.435 -2.383 6.467 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.457 -1.666 8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 63 11.856 -1.765 5.734 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.402 -2.666 5.292 1.00 0.00 H new ATOM 625 N ASP A 64 7.418 -5.043 9.303 1.00 0.00 N ATOM 626 CA ASP A 64 6.107 -5.591 9.635 1.00 0.00 C ATOM 627 C ASP A 64 5.087 -4.474 9.841 1.00 0.00 C ATOM 628 O ASP A 64 5.018 -3.871 10.912 1.00 0.00 O ATOM 629 CB ASP A 64 6.199 -6.455 10.894 1.00 0.00 C ATOM 630 CG ASP A 64 4.879 -7.114 11.245 1.00 0.00 C ATOM 631 OD1 ASP A 64 4.628 -8.237 10.759 1.00 0.00 O ATOM 632 OD2 ASP A 64 4.095 -6.506 12.004 1.00 0.00 O ATOM 0 H ASP A 64 8.165 -5.323 9.939 1.00 0.00 H new ATOM 0 HA ASP A 64 5.776 -6.210 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.958 -7.224 10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.527 -5.838 11.731 1.00 0.00 H new ATOM 637 N ILE A 65 4.300 -4.202 8.804 1.00 0.00 N ATOM 638 CA ILE A 65 3.286 -3.156 8.862 1.00 0.00 C ATOM 639 C ILE A 65 1.924 -3.690 8.430 1.00 0.00 C ATOM 640 O ILE A 65 1.825 -4.485 7.496 1.00 0.00 O ATOM 641 CB ILE A 65 3.665 -1.959 7.964 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.023 -1.385 8.381 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.587 -0.884 8.019 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.056 -0.851 9.799 1.00 0.00 C ATOM 0 H ILE A 65 4.346 -4.693 7.911 1.00 0.00 H new ATOM 0 HA ILE A 65 3.231 -2.822 9.898 1.00 0.00 H new ATOM 0 HB ILE A 65 3.742 -2.311 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.781 -2.161 8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.293 -0.582 7.695 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.873 -0.049 7.379 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.641 -1.299 7.672 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.475 -0.533 9.045 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.050 -0.462 10.018 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.323 -0.051 9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.819 -1.655 10.496 1.00 0.00 H new ATOM 656 N VAL A 66 0.880 -3.248 9.119 1.00 0.00 N ATOM 657 CA VAL A 66 -0.478 -3.672 8.811 1.00 0.00 C ATOM 658 C VAL A 66 -1.187 -2.622 7.959 1.00 0.00 C ATOM 659 O VAL A 66 -0.739 -1.479 7.871 1.00 0.00 O ATOM 660 CB VAL A 66 -1.283 -3.927 10.102 1.00 0.00 C ATOM 661 CG1 VAL A 66 -1.465 -2.637 10.886 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.629 -4.566 9.791 1.00 0.00 C ATOM 0 H VAL A 66 0.949 -2.593 9.898 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.417 -4.604 8.249 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.717 -4.624 10.719 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.035 -2.840 11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.489 -2.233 11.154 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.002 -1.912 10.274 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.175 -4.734 10.719 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.206 -3.903 9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.471 -5.518 9.285 1.00 0.00 H new ATOM 672 N GLY A 67 -2.286 -3.019 7.328 1.00 0.00 N ATOM 673 CA GLY A 67 -3.037 -2.101 6.490 1.00 0.00 C ATOM 674 C GLY A 67 -3.508 -0.874 7.247 1.00 0.00 C ATOM 675 O GLY A 67 -3.683 0.195 6.662 1.00 0.00 O ATOM 0 H GLY A 67 -2.672 -3.962 7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.415 -1.789 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.900 -2.619 6.072 1.00 0.00 H new ATOM 679 N ASP A 68 -3.715 -1.031 8.551 1.00 0.00 N ATOM 680 CA ASP A 68 -4.171 0.069 9.395 1.00 0.00 C ATOM 681 C ASP A 68 -3.028 1.026 9.723 1.00 0.00 C ATOM 682 O ASP A 68 -3.257 2.157 10.153 1.00 0.00 O ATOM 683 CB ASP A 68 -4.771 -0.480 10.691 1.00 0.00 C ATOM 684 CG ASP A 68 -5.364 0.609 11.564 1.00 0.00 C ATOM 685 OD1 ASP A 68 -6.554 0.937 11.378 1.00 0.00 O ATOM 686 OD2 ASP A 68 -4.636 1.134 12.433 1.00 0.00 O ATOM 0 H ASP A 68 -3.574 -1.911 9.047 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.932 0.622 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.545 -1.209 10.449 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.999 -1.009 11.250 1.00 0.00 H new ATOM 691 N LEU A 69 -1.799 0.565 9.515 1.00 0.00 N ATOM 692 CA LEU A 69 -0.618 1.371 9.802 1.00 0.00 C ATOM 693 C LEU A 69 0.036 1.891 8.525 1.00 0.00 C ATOM 694 O LEU A 69 1.147 2.420 8.560 1.00 0.00 O ATOM 695 CB LEU A 69 0.391 0.549 10.606 1.00 0.00 C ATOM 696 CG LEU A 69 0.280 0.676 12.129 1.00 0.00 C ATOM 697 CD1 LEU A 69 -1.161 0.499 12.591 1.00 0.00 C ATOM 698 CD2 LEU A 69 1.179 -0.346 12.805 1.00 0.00 C ATOM 0 H LEU A 69 -1.595 -0.365 9.148 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.938 2.233 10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.275 -0.501 10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.396 0.846 10.306 1.00 0.00 H new ATOM 0 HG LEU A 69 0.604 1.678 12.412 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.210 0.594 13.676 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.787 1.264 12.131 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.519 -0.488 12.297 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.093 -0.247 13.887 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.877 -1.350 12.507 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.213 -0.175 12.506 1.00 0.00 H new ATOM 710 N LEU A 70 -0.654 1.741 7.399 1.00 0.00 N ATOM 711 CA LEU A 70 -0.126 2.206 6.121 1.00 0.00 C ATOM 712 C LEU A 70 -0.200 3.734 6.011 1.00 0.00 C ATOM 713 O LEU A 70 0.796 4.376 5.678 1.00 0.00 O ATOM 714 CB LEU A 70 -0.865 1.546 4.951 1.00 0.00 C ATOM 715 CG LEU A 70 -0.546 0.065 4.729 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.380 -0.493 3.586 1.00 0.00 C ATOM 717 CD2 LEU A 70 0.938 -0.128 4.448 1.00 0.00 C ATOM 0 H LEU A 70 -1.574 1.304 7.345 1.00 0.00 H new ATOM 0 HA LEU A 70 0.923 1.915 6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.938 1.649 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.628 2.093 4.038 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.797 -0.480 5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.141 -1.547 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.439 -0.391 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.159 0.058 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.144 -1.187 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.215 0.430 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.519 0.235 5.296 1.00 0.00 H new ATOM 729 N PRO A 71 -1.374 4.347 6.287 1.00 0.00 N ATOM 730 CA PRO A 71 -1.528 5.803 6.216 1.00 0.00 C ATOM 731 C PRO A 71 -0.946 6.504 7.439 1.00 0.00 C ATOM 732 O PRO A 71 -0.845 7.730 7.477 1.00 0.00 O ATOM 733 CB PRO A 71 -3.042 5.984 6.167 1.00 0.00 C ATOM 734 CG PRO A 71 -3.571 4.839 6.955 1.00 0.00 C ATOM 735 CD PRO A 71 -2.639 3.689 6.686 1.00 0.00 C ATOM 0 HA PRO A 71 -1.002 6.235 5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.343 6.938 6.599 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.412 5.967 5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.601 5.077 8.018 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.590 4.595 6.654 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.505 3.067 7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.020 3.041 5.896 1.00 0.00 H new ATOM 743 N GLU A 72 -0.566 5.711 8.436 1.00 0.00 N ATOM 744 CA GLU A 72 0.004 6.246 9.667 1.00 0.00 C ATOM 745 C GLU A 72 1.435 6.727 9.441 1.00 0.00 C ATOM 746 O GLU A 72 1.934 7.588 10.167 1.00 0.00 O ATOM 747 CB GLU A 72 -0.022 5.178 10.764 1.00 0.00 C ATOM 748 CG GLU A 72 0.508 5.662 12.104 1.00 0.00 C ATOM 749 CD GLU A 72 -0.303 6.810 12.672 1.00 0.00 C ATOM 750 OE1 GLU A 72 -1.296 6.543 13.382 1.00 0.00 O ATOM 751 OE2 GLU A 72 0.053 7.977 12.406 1.00 0.00 O ATOM 0 H GLU A 72 -0.643 4.694 8.415 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.599 7.098 9.981 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.046 4.829 10.894 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.568 4.321 10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.504 4.834 12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.545 5.977 11.988 1.00 0.00 H new ATOM 758 N LEU A 73 2.089 6.169 8.427 1.00 0.00 N ATOM 759 CA LEU A 73 3.463 6.538 8.106 1.00 0.00 C ATOM 760 C LEU A 73 3.503 7.675 7.090 1.00 0.00 C ATOM 761 O LEU A 73 2.659 7.753 6.198 1.00 0.00 O ATOM 762 CB LEU A 73 4.219 5.326 7.558 1.00 0.00 C ATOM 763 CG LEU A 73 4.212 4.094 8.467 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.861 2.911 7.767 1.00 0.00 C ATOM 765 CD2 LEU A 73 4.922 4.396 9.779 1.00 0.00 C ATOM 0 H LEU A 73 1.689 5.459 7.813 1.00 0.00 H new ATOM 0 HA LEU A 73 3.944 6.880 9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.787 5.051 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.253 5.616 7.372 1.00 0.00 H new ATOM 0 HG LEU A 73 3.177 3.835 8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.847 2.045 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.310 2.681 6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.892 3.158 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.908 3.509 10.413 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.955 4.681 9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.413 5.214 10.288 1.00 0.00 H new ATOM 777 N CYS A 74 4.489 8.554 7.233 1.00 0.00 N ATOM 778 CA CYS A 74 4.644 9.686 6.326 1.00 0.00 C ATOM 779 C CYS A 74 5.401 9.269 5.070 1.00 0.00 C ATOM 780 O CYS A 74 5.676 8.087 4.864 1.00 0.00 O ATOM 781 CB CYS A 74 5.379 10.832 7.024 1.00 0.00 C ATOM 782 SG CYS A 74 4.530 11.473 8.488 1.00 0.00 S ATOM 0 H CYS A 74 5.194 8.504 7.969 1.00 0.00 H new ATOM 0 HA CYS A 74 3.651 10.029 6.036 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.372 10.489 7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.519 11.646 6.313 1.00 0.00 H new ATOM 0 HG CYS A 74 5.230 12.437 9.009 1.00 0.00 H new ATOM 788 N LEU A 75 5.736 10.245 4.233 1.00 0.00 N ATOM 789 CA LEU A 75 6.462 9.974 2.997 1.00 0.00 C ATOM 790 C LEU A 75 7.919 9.625 3.289 1.00 0.00 C ATOM 791 O LEU A 75 8.629 9.111 2.424 1.00 0.00 O ATOM 792 CB LEU A 75 6.392 11.184 2.061 1.00 0.00 C ATOM 793 CG LEU A 75 4.999 11.789 1.877 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.039 12.917 0.859 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.006 10.720 1.453 1.00 0.00 C ATOM 0 H LEU A 75 5.517 11.229 4.387 1.00 0.00 H new ATOM 0 HA LEU A 75 5.992 9.120 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.058 11.957 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.774 10.889 1.084 1.00 0.00 H new ATOM 0 HG LEU A 75 4.672 12.200 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.040 13.336 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.720 13.695 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.386 12.530 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.021 11.168 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.327 10.279 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.957 9.945 2.218 1.00 0.00 H new ATOM 807 N GLN A 76 8.356 9.906 4.513 1.00 0.00 N ATOM 808 CA GLN A 76 9.726 9.619 4.923 1.00 0.00 C ATOM 809 C GLN A 76 9.927 8.121 5.136 1.00 0.00 C ATOM 810 O GLN A 76 10.876 7.532 4.620 1.00 0.00 O ATOM 811 CB GLN A 76 10.066 10.381 6.207 1.00 0.00 C ATOM 812 CG GLN A 76 11.497 10.177 6.680 1.00 0.00 C ATOM 813 CD GLN A 76 12.521 10.715 5.700 1.00 0.00 C ATOM 814 OE1 GLN A 76 12.924 11.876 5.780 1.00 0.00 O ATOM 815 NE2 GLN A 76 12.947 9.873 4.767 1.00 0.00 N ATOM 0 H GLN A 76 7.780 10.333 5.239 1.00 0.00 H new ATOM 0 HA GLN A 76 10.395 9.947 4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.895 11.445 6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.384 10.067 6.997 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.630 10.668 7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.675 9.113 6.837 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.586 8.919 4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.635 10.179 4.079 1.00 0.00 H new ATOM 824 N ASP A 77 9.024 7.512 5.901 1.00 0.00 N ATOM 825 CA ASP A 77 9.100 6.083 6.184 1.00 0.00 C ATOM 826 C ASP A 77 8.973 5.270 4.900 1.00 0.00 C ATOM 827 O ASP A 77 9.624 4.238 4.739 1.00 0.00 O ATOM 828 CB ASP A 77 8.001 5.678 7.169 1.00 0.00 C ATOM 829 CG ASP A 77 8.070 6.462 8.465 1.00 0.00 C ATOM 830 OD1 ASP A 77 8.814 6.041 9.376 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.378 7.496 8.570 1.00 0.00 O ATOM 0 H ASP A 77 8.232 7.986 6.335 1.00 0.00 H new ATOM 0 HA ASP A 77 10.072 5.876 6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.027 5.832 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.086 4.613 7.386 1.00 0.00 H new ATOM 836 N CYS A 78 8.129 5.745 3.989 1.00 0.00 N ATOM 837 CA CYS A 78 7.915 5.066 2.717 1.00 0.00 C ATOM 838 C CYS A 78 9.156 5.161 1.838 1.00 0.00 C ATOM 839 O CYS A 78 9.475 4.234 1.095 1.00 0.00 O ATOM 840 CB CYS A 78 6.711 5.671 1.992 1.00 0.00 C ATOM 841 SG CYS A 78 5.203 5.723 2.989 1.00 0.00 S ATOM 0 H CYS A 78 7.582 6.598 4.109 1.00 0.00 H new ATOM 0 HA CYS A 78 7.716 4.014 2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.961 6.684 1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.517 5.094 1.088 1.00 0.00 H new ATOM 0 HG CYS A 78 5.340 6.602 3.937 1.00 0.00 H new ATOM 847 N GLN A 79 9.854 6.291 1.928 1.00 0.00 N ATOM 848 CA GLN A 79 11.064 6.502 1.143 1.00 0.00 C ATOM 849 C GLN A 79 12.132 5.487 1.534 1.00 0.00 C ATOM 850 O GLN A 79 12.845 4.959 0.680 1.00 0.00 O ATOM 851 CB GLN A 79 11.590 7.924 1.342 1.00 0.00 C ATOM 852 CG GLN A 79 12.659 8.322 0.336 1.00 0.00 C ATOM 853 CD GLN A 79 13.195 9.720 0.576 1.00 0.00 C ATOM 854 OE1 GLN A 79 13.234 10.197 1.709 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.612 10.385 -0.496 1.00 0.00 N ATOM 0 H GLN A 79 9.602 7.071 2.535 1.00 0.00 H new ATOM 0 HA GLN A 79 10.820 6.366 0.089 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.757 8.624 1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.998 8.014 2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.482 7.608 0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.245 8.264 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.561 9.950 -1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.983 11.330 -0.398 1.00 0.00 H new ATOM 864 N ASP A 80 12.238 5.223 2.833 1.00 0.00 N ATOM 865 CA ASP A 80 13.206 4.261 3.346 1.00 0.00 C ATOM 866 C ASP A 80 12.895 2.868 2.814 1.00 0.00 C ATOM 867 O ASP A 80 13.793 2.051 2.607 1.00 0.00 O ATOM 868 CB ASP A 80 13.180 4.251 4.875 1.00 0.00 C ATOM 869 CG ASP A 80 14.153 3.251 5.464 1.00 0.00 C ATOM 870 OD1 ASP A 80 15.375 3.506 5.408 1.00 0.00 O ATOM 871 OD2 ASP A 80 13.695 2.211 5.981 1.00 0.00 O ATOM 0 H ASP A 80 11.663 5.664 3.551 1.00 0.00 H new ATOM 0 HA ASP A 80 14.201 4.555 3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.419 5.248 5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.172 4.017 5.217 1.00 0.00 H new ATOM 876 N LEU A 81 11.610 2.611 2.600 1.00 0.00 N ATOM 877 CA LEU A 81 11.152 1.326 2.091 1.00 0.00 C ATOM 878 C LEU A 81 11.485 1.179 0.609 1.00 0.00 C ATOM 879 O LEU A 81 11.399 0.087 0.048 1.00 0.00 O ATOM 880 CB LEU A 81 9.643 1.190 2.318 1.00 0.00 C ATOM 881 CG LEU A 81 9.229 0.412 3.574 1.00 0.00 C ATOM 882 CD1 LEU A 81 10.134 0.743 4.753 1.00 0.00 C ATOM 883 CD2 LEU A 81 7.782 0.717 3.926 1.00 0.00 C ATOM 0 H LEU A 81 10.862 3.283 2.773 1.00 0.00 H new ATOM 0 HA LEU A 81 11.667 0.531 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.210 2.189 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.206 0.700 1.448 1.00 0.00 H new ATOM 0 HG LEU A 81 9.330 -0.652 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.815 0.176 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.163 0.481 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.073 1.809 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.499 0.159 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.671 1.785 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.137 0.426 3.097 1.00 0.00 H new ATOM 895 N CYS A 82 11.863 2.290 -0.018 1.00 0.00 N ATOM 896 CA CYS A 82 12.214 2.291 -1.433 1.00 0.00 C ATOM 897 C CYS A 82 13.730 2.263 -1.613 1.00 0.00 C ATOM 898 O CYS A 82 14.477 2.158 -0.641 1.00 0.00 O ATOM 899 CB CYS A 82 11.629 3.524 -2.124 1.00 0.00 C ATOM 900 SG CYS A 82 9.829 3.652 -2.006 1.00 0.00 S ATOM 0 H CYS A 82 11.934 3.202 0.434 1.00 0.00 H new ATOM 0 HA CYS A 82 11.793 1.395 -1.889 1.00 0.00 H new ATOM 0 HB2 CYS A 82 12.075 4.418 -1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 82 11.913 3.507 -3.176 1.00 0.00 H new ATOM 0 HG CYS A 82 9.492 3.914 -0.778 1.00 0.00 H new ATOM 906 N ASP A 83 14.176 2.356 -2.863 1.00 0.00 N ATOM 907 CA ASP A 83 15.603 2.340 -3.168 1.00 0.00 C ATOM 908 C ASP A 83 16.244 3.690 -2.864 1.00 0.00 C ATOM 909 O ASP A 83 17.460 3.785 -2.689 1.00 0.00 O ATOM 910 CB ASP A 83 15.829 1.975 -4.636 1.00 0.00 C ATOM 911 CG ASP A 83 15.357 0.571 -4.960 1.00 0.00 C ATOM 912 OD1 ASP A 83 16.157 -0.375 -4.804 1.00 0.00 O ATOM 913 OD2 ASP A 83 14.187 0.418 -5.369 1.00 0.00 O ATOM 0 H ASP A 83 13.571 2.443 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 83 16.073 1.586 -2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.303 2.688 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.890 2.062 -4.870 1.00 0.00 H new ATOM 918 N GLY A 84 15.421 4.733 -2.801 1.00 0.00 N ATOM 919 CA GLY A 84 15.931 6.062 -2.518 1.00 0.00 C ATOM 920 C GLY A 84 15.226 7.139 -3.318 1.00 0.00 C ATOM 921 O GLY A 84 15.539 8.324 -3.189 1.00 0.00 O ATOM 0 H GLY A 84 14.412 4.681 -2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.818 6.272 -1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.998 6.092 -2.737 1.00 0.00 H new ATOM 925 N ASP A 85 14.272 6.729 -4.149 1.00 0.00 N ATOM 926 CA ASP A 85 13.521 7.668 -4.973 1.00 0.00 C ATOM 927 C ASP A 85 12.325 8.226 -4.207 1.00 0.00 C ATOM 928 O ASP A 85 11.480 7.473 -3.723 1.00 0.00 O ATOM 929 CB ASP A 85 13.048 6.987 -6.260 1.00 0.00 C ATOM 930 CG ASP A 85 12.246 7.919 -7.147 1.00 0.00 C ATOM 931 OD1 ASP A 85 12.788 8.971 -7.547 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.076 7.598 -7.442 1.00 0.00 O ATOM 0 H ASP A 85 14.002 5.753 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 85 14.182 8.495 -5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.913 6.619 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.440 6.119 -6.006 1.00 0.00 H new ATOM 937 N LEU A 86 12.262 9.551 -4.101 1.00 0.00 N ATOM 938 CA LEU A 86 11.172 10.210 -3.392 1.00 0.00 C ATOM 939 C LEU A 86 9.850 10.020 -4.128 1.00 0.00 C ATOM 940 O LEU A 86 8.840 9.661 -3.524 1.00 0.00 O ATOM 941 CB LEU A 86 11.471 11.703 -3.227 1.00 0.00 C ATOM 942 CG LEU A 86 10.449 12.483 -2.396 1.00 0.00 C ATOM 943 CD1 LEU A 86 10.406 11.957 -0.969 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.780 13.967 -2.407 1.00 0.00 C ATOM 0 H LEU A 86 12.953 10.188 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 86 11.085 9.754 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.452 11.812 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.534 12.156 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 86 9.464 12.344 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.674 12.524 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.124 10.904 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.389 12.065 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.044 14.508 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.773 14.121 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.760 14.337 -3.432 1.00 0.00 H new ATOM 956 N ASN A 87 9.868 10.263 -5.436 1.00 0.00 N ATOM 957 CA ASN A 87 8.673 10.117 -6.263 1.00 0.00 C ATOM 958 C ASN A 87 8.032 8.749 -6.054 1.00 0.00 C ATOM 959 O ASN A 87 6.811 8.606 -6.118 1.00 0.00 O ATOM 960 CB ASN A 87 9.025 10.302 -7.739 1.00 0.00 C ATOM 961 CG ASN A 87 9.216 11.760 -8.116 1.00 0.00 C ATOM 962 OD1 ASN A 87 8.963 12.154 -9.255 1.00 0.00 O ATOM 963 ND2 ASN A 87 9.667 12.569 -7.164 1.00 0.00 N ATOM 0 H ASN A 87 10.698 10.562 -5.947 1.00 0.00 H new ATOM 0 HA ASN A 87 7.959 10.885 -5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.938 9.750 -7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.234 9.872 -8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.816 13.558 -7.364 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.864 12.201 -6.233 1.00 0.00 H new ATOM 970 N LYS A 88 8.869 7.751 -5.805 1.00 0.00 N ATOM 971 CA LYS A 88 8.401 6.391 -5.581 1.00 0.00 C ATOM 972 C LYS A 88 7.486 6.334 -4.359 1.00 0.00 C ATOM 973 O LYS A 88 6.379 5.795 -4.418 1.00 0.00 O ATOM 974 CB LYS A 88 9.599 5.463 -5.378 1.00 0.00 C ATOM 975 CG LYS A 88 9.257 3.984 -5.444 1.00 0.00 C ATOM 976 CD LYS A 88 9.368 3.452 -6.864 1.00 0.00 C ATOM 977 CE LYS A 88 9.260 1.936 -6.902 1.00 0.00 C ATOM 978 NZ LYS A 88 10.250 1.286 -6.000 1.00 0.00 N ATOM 0 H LYS A 88 9.882 7.860 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 88 7.834 6.066 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.350 5.685 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.051 5.677 -4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.927 3.425 -4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.244 3.826 -5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.582 3.889 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.320 3.761 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.253 1.636 -6.612 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.415 1.587 -7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.399 0.301 -6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.152 1.802 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.892 1.300 -5.024 1.00 0.00 H new ATOM 992 N ALA A 89 7.960 6.905 -3.255 1.00 0.00 N ATOM 993 CA ALA A 89 7.199 6.926 -2.012 1.00 0.00 C ATOM 994 C ALA A 89 5.923 7.748 -2.157 1.00 0.00 C ATOM 995 O ALA A 89 4.921 7.474 -1.497 1.00 0.00 O ATOM 996 CB ALA A 89 8.056 7.476 -0.881 1.00 0.00 C ATOM 0 H ALA A 89 8.871 7.360 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 89 6.912 5.901 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.477 7.487 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.935 6.845 -0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.371 8.491 -1.124 1.00 0.00 H new ATOM 1002 N ILE A 90 5.966 8.756 -3.023 1.00 0.00 N ATOM 1003 CA ILE A 90 4.809 9.615 -3.251 1.00 0.00 C ATOM 1004 C ILE A 90 3.623 8.808 -3.772 1.00 0.00 C ATOM 1005 O ILE A 90 2.552 8.806 -3.165 1.00 0.00 O ATOM 1006 CB ILE A 90 5.133 10.751 -4.244 1.00 0.00 C ATOM 1007 CG1 ILE A 90 6.253 11.635 -3.688 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.885 11.580 -4.529 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.671 12.752 -4.622 1.00 0.00 C ATOM 0 H ILE A 90 6.788 8.998 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 90 4.547 10.057 -2.290 1.00 0.00 H new ATOM 0 HB ILE A 90 5.473 10.311 -5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.926 12.068 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.121 11.012 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.130 12.377 -5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.114 10.941 -4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.517 12.015 -3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.468 13.334 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.030 12.327 -5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.817 13.399 -4.820 1.00 0.00 H new ATOM 1021 N LYS A 91 3.819 8.124 -4.896 1.00 0.00 N ATOM 1022 CA LYS A 91 2.762 7.312 -5.488 1.00 0.00 C ATOM 1023 C LYS A 91 2.276 6.257 -4.500 1.00 0.00 C ATOM 1024 O LYS A 91 1.092 5.923 -4.465 1.00 0.00 O ATOM 1025 CB LYS A 91 3.253 6.644 -6.775 1.00 0.00 C ATOM 1026 CG LYS A 91 2.940 7.440 -8.033 1.00 0.00 C ATOM 1027 CD LYS A 91 1.442 7.525 -8.282 1.00 0.00 C ATOM 1028 CE LYS A 91 1.129 8.263 -9.574 1.00 0.00 C ATOM 1029 NZ LYS A 91 1.658 9.654 -9.564 1.00 0.00 N ATOM 0 H LYS A 91 4.698 8.116 -5.413 1.00 0.00 H new ATOM 0 HA LYS A 91 1.927 7.968 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.331 6.495 -6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.799 5.657 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.352 8.445 -7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.426 6.974 -8.890 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.023 6.520 -8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.962 8.034 -7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.557 7.718 -10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.050 8.287 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.268 10.179 -10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.380 10.125 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.695 9.631 -9.633 1.00 0.00 H new ATOM 1043 N PHE A 92 3.202 5.735 -3.701 1.00 0.00 N ATOM 1044 CA PHE A 92 2.875 4.725 -2.700 1.00 0.00 C ATOM 1045 C PHE A 92 1.802 5.245 -1.743 1.00 0.00 C ATOM 1046 O PHE A 92 0.705 4.688 -1.658 1.00 0.00 O ATOM 1047 CB PHE A 92 4.143 4.336 -1.930 1.00 0.00 C ATOM 1048 CG PHE A 92 3.926 3.341 -0.823 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.561 2.033 -1.104 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.103 3.712 0.499 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.375 1.116 -0.086 1.00 0.00 C ATOM 1052 CE2 PHE A 92 3.918 2.802 1.522 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.554 1.501 1.229 1.00 0.00 C ATOM 0 H PHE A 92 4.188 5.996 -3.728 1.00 0.00 H new ATOM 0 HA PHE A 92 2.479 3.842 -3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.867 3.924 -2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.586 5.238 -1.508 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.420 1.727 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.390 4.726 0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.090 0.100 -0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.058 3.107 2.549 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.410 0.787 2.026 1.00 0.00 H new ATOM 1063 N LYS A 93 2.123 6.325 -1.040 1.00 0.00 N ATOM 1064 CA LYS A 93 1.197 6.931 -0.088 1.00 0.00 C ATOM 1065 C LYS A 93 -0.108 7.332 -0.771 1.00 0.00 C ATOM 1066 O LYS A 93 -1.166 7.356 -0.141 1.00 0.00 O ATOM 1067 CB LYS A 93 1.842 8.158 0.559 1.00 0.00 C ATOM 1068 CG LYS A 93 1.015 8.768 1.680 1.00 0.00 C ATOM 1069 CD LYS A 93 1.021 7.887 2.918 1.00 0.00 C ATOM 1070 CE LYS A 93 0.275 8.542 4.068 1.00 0.00 C ATOM 1071 NZ LYS A 93 0.842 9.876 4.409 1.00 0.00 N ATOM 0 H LYS A 93 3.022 6.802 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 93 0.969 6.193 0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.819 7.878 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.012 8.914 -0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.410 9.753 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.010 8.913 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.562 6.926 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.049 7.685 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.777 8.651 3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.317 7.895 4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.500 10.169 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.880 9.819 4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.542 10.573 3.698 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.027 7.646 -2.061 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.202 8.050 -2.826 1.00 0.00 C ATOM 1087 C ILE A 94 -2.200 6.907 -2.971 1.00 0.00 C ATOM 1088 O ILE A 94 -3.304 6.968 -2.431 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.820 8.561 -4.230 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.180 9.949 -4.135 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -2.047 8.590 -5.132 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.414 10.437 -5.440 1.00 0.00 C ATOM 0 H ILE A 94 0.840 7.628 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.666 8.861 -2.265 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.090 7.879 -4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.931 10.663 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.602 9.928 -3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.764 8.953 -6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.459 7.584 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.798 9.254 -4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.849 11.426 -5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.189 9.745 -5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.368 10.492 -6.198 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.811 5.874 -3.719 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.679 4.721 -3.944 1.00 0.00 C ATOM 1106 C LEU A 95 -3.313 4.259 -2.640 1.00 0.00 C ATOM 1107 O LEU A 95 -4.448 3.784 -2.624 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.894 3.567 -4.572 1.00 0.00 C ATOM 1109 CG LEU A 95 -1.183 3.894 -5.889 1.00 0.00 C ATOM 1110 CD1 LEU A 95 -0.455 2.667 -6.416 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.174 4.410 -6.923 1.00 0.00 C ATOM 0 H LEU A 95 -0.902 5.813 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.468 5.028 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.150 3.223 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.578 2.736 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.450 4.678 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.045 2.915 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.284 2.341 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.172 1.865 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.648 4.636 -7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.932 3.650 -7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.653 5.314 -6.548 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.571 4.404 -1.549 1.00 0.00 N ATOM 1124 CA ILE A 96 -3.064 4.002 -0.243 1.00 0.00 C ATOM 1125 C ILE A 96 -4.134 4.963 0.268 1.00 0.00 C ATOM 1126 O ILE A 96 -5.131 4.541 0.855 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.921 3.915 0.785 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.846 2.943 0.295 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.456 3.485 2.143 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.484 3.105 0.995 1.00 0.00 C ATOM 0 H ILE A 96 -1.629 4.796 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.507 3.013 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.473 4.902 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.200 1.922 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.702 3.084 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.634 3.429 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.190 4.211 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.927 2.506 2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.196 2.383 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.861 4.115 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.356 2.935 2.064 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.922 6.255 0.042 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.873 7.274 0.474 1.00 0.00 C ATOM 1144 C ASN A 97 -6.234 7.057 -0.181 1.00 0.00 C ATOM 1145 O ASN A 97 -7.275 7.227 0.455 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.346 8.670 0.136 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.334 9.764 0.490 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -6.172 10.148 -0.326 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -5.241 10.273 1.713 1.00 0.00 N ATOM 0 H ASN A 97 -3.100 6.622 -0.438 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.992 7.192 1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.412 8.842 0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.118 8.721 -0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.879 11.012 2.008 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.531 9.925 2.358 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.218 6.680 -1.456 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.449 6.435 -2.202 1.00 0.00 C ATOM 1158 C LYS A 98 -8.164 5.192 -1.687 1.00 0.00 C ATOM 1159 O LYS A 98 -9.389 5.176 -1.563 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.147 6.276 -3.695 1.00 0.00 C ATOM 1161 CG LYS A 98 -7.026 7.594 -4.444 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.818 8.394 -3.986 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.627 9.644 -4.830 1.00 0.00 C ATOM 1164 NZ LYS A 98 -5.417 9.313 -6.268 1.00 0.00 N ATOM 0 H LYS A 98 -5.364 6.537 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.102 7.295 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.218 5.718 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.936 5.680 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.948 7.399 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.931 8.183 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.941 8.675 -2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.924 7.773 -4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.501 10.288 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.771 10.207 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.011 10.136 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.765 8.507 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.328 9.065 -6.704 1.00 0.00 H new ATOM 1178 N MET A 99 -7.392 4.150 -1.392 1.00 0.00 N ATOM 1179 CA MET A 99 -7.952 2.898 -0.897 1.00 0.00 C ATOM 1180 C MET A 99 -8.714 3.109 0.409 1.00 0.00 C ATOM 1181 O MET A 99 -9.774 2.521 0.619 1.00 0.00 O ATOM 1182 CB MET A 99 -6.840 1.867 -0.694 1.00 0.00 C ATOM 1183 CG MET A 99 -7.343 0.511 -0.226 1.00 0.00 C ATOM 1184 SD MET A 99 -8.593 -0.188 -1.324 1.00 0.00 S ATOM 1185 CE MET A 99 -7.701 -0.226 -2.878 1.00 0.00 C ATOM 0 H MET A 99 -6.376 4.149 -1.487 1.00 0.00 H new ATOM 0 HA MET A 99 -8.655 2.527 -1.643 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.299 1.740 -1.631 1.00 0.00 H new ATOM 0 HB3 MET A 99 -6.128 2.252 0.036 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.502 -0.179 -0.155 1.00 0.00 H new ATOM 0 HG3 MET A 99 -7.760 0.609 0.776 1.00 0.00 H new ATOM 0 HE1 MET A 99 -8.297 -0.747 -3.627 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.509 0.794 -3.212 1.00 0.00 H new ATOM 0 HE3 MET A 99 -6.754 -0.748 -2.741 1.00 0.00 H new ATOM 1195 N ARG A 100 -8.168 3.949 1.284 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.803 4.230 2.568 1.00 0.00 C ATOM 1197 C ARG A 100 -10.093 5.021 2.378 1.00 0.00 C ATOM 1198 O ARG A 100 -11.172 4.568 2.762 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.846 5.002 3.479 1.00 0.00 C ATOM 1200 CG ARG A 100 -8.465 5.396 4.810 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.446 6.047 5.729 1.00 0.00 C ATOM 1202 NE ARG A 100 -8.053 6.497 6.979 1.00 0.00 N ATOM 1203 CZ ARG A 100 -7.669 6.076 8.181 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -6.688 5.191 8.296 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -8.270 6.539 9.269 1.00 0.00 N ATOM 0 H ARG A 100 -7.291 4.445 1.128 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.049 3.277 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.962 4.392 3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.511 5.901 2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.293 6.084 4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -8.881 4.513 5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.648 5.338 5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -6.988 6.896 5.221 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.815 7.173 6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.225 4.831 7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.396 4.870 9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.027 7.218 9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.976 6.216 10.191 1.00 0.00 H new ATOM 1219 N ASP A 101 -9.976 6.205 1.784 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.133 7.060 1.543 1.00 0.00 C ATOM 1221 C ASP A 101 -12.110 6.399 0.575 1.00 0.00 C ATOM 1222 O ASP A 101 -13.232 6.873 0.394 1.00 0.00 O ATOM 1223 CB ASP A 101 -10.687 8.413 0.988 1.00 0.00 C ATOM 1224 CG ASP A 101 -9.850 9.198 1.979 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -10.436 9.807 2.900 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -8.610 9.208 1.832 1.00 0.00 O ATOM 0 H ASP A 101 -9.090 6.594 1.460 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.642 7.214 2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.112 8.256 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.565 8.998 0.715 1.00 0.00 H new ATOM 1231 N SER A 102 -11.667 5.309 -0.047 1.00 0.00 N ATOM 1232 CA SER A 102 -12.488 4.567 -1.001 1.00 0.00 C ATOM 1233 C SER A 102 -12.753 5.393 -2.257 1.00 0.00 C ATOM 1234 O SER A 102 -12.741 6.623 -2.218 1.00 0.00 O ATOM 1235 CB SER A 102 -13.814 4.143 -0.360 1.00 0.00 C ATOM 1236 OG SER A 102 -13.593 3.366 0.805 1.00 0.00 O ATOM 0 H SER A 102 -10.736 4.917 0.094 1.00 0.00 H new ATOM 0 HA SER A 102 -11.936 3.672 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.398 5.028 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.401 3.569 -1.077 1.00 0.00 H new ATOM 0 HG SER A 102 -14.454 3.110 1.196 1.00 0.00 H new ATOM 1242 N LYS A 103 -12.989 4.706 -3.369 1.00 0.00 N ATOM 1243 CA LYS A 103 -13.251 5.374 -4.638 1.00 0.00 C ATOM 1244 C LYS A 103 -14.750 5.507 -4.885 1.00 0.00 C ATOM 1245 O LYS A 103 -15.424 4.532 -5.219 1.00 0.00 O ATOM 1246 CB LYS A 103 -12.599 4.601 -5.785 1.00 0.00 C ATOM 1247 CG LYS A 103 -12.722 5.288 -7.137 1.00 0.00 C ATOM 1248 CD LYS A 103 -12.006 4.508 -8.229 1.00 0.00 C ATOM 1249 CE LYS A 103 -12.688 3.177 -8.511 1.00 0.00 C ATOM 1250 NZ LYS A 103 -11.949 2.378 -9.526 1.00 0.00 N ATOM 0 H LYS A 103 -13.004 3.687 -3.417 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.821 6.374 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -11.543 4.454 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.052 3.612 -5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.775 5.395 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.305 6.293 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -11.978 5.103 -9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -10.972 4.331 -7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -12.766 2.606 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.705 3.357 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.446 1.479 -9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.897 2.912 -10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.987 2.184 -9.182 1.00 0.00 H new ATOM 1264 N LEU A 104 -15.268 6.720 -4.716 1.00 0.00 N ATOM 1265 CA LEU A 104 -16.687 6.982 -4.923 1.00 0.00 C ATOM 1266 C LEU A 104 -16.914 7.697 -6.251 1.00 0.00 C ATOM 1267 O LEU A 104 -17.282 7.074 -7.248 1.00 0.00 O ATOM 1268 CB LEU A 104 -17.256 7.823 -3.774 1.00 0.00 C ATOM 1269 CG LEU A 104 -17.399 7.106 -2.425 1.00 0.00 C ATOM 1270 CD1 LEU A 104 -18.246 5.849 -2.568 1.00 0.00 C ATOM 1271 CD2 LEU A 104 -16.034 6.769 -1.843 1.00 0.00 C ATOM 0 H LEU A 104 -14.725 7.537 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 104 -17.206 6.024 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -16.615 8.693 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.237 8.194 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.905 7.782 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.334 5.357 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.238 6.118 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -17.773 5.170 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.161 6.261 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.496 6.117 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.466 7.687 -1.693 1.00 0.00 H new ATOM 1283 N GLU A 105 -16.690 9.008 -6.257 1.00 0.00 N ATOM 1284 CA GLU A 105 -16.869 9.815 -7.460 1.00 0.00 C ATOM 1285 C GLU A 105 -15.877 10.974 -7.488 1.00 0.00 C ATOM 1286 O GLU A 105 -16.263 12.130 -7.662 1.00 0.00 O ATOM 1287 CB GLU A 105 -18.301 10.354 -7.532 1.00 0.00 C ATOM 1288 CG GLU A 105 -19.356 9.273 -7.694 1.00 0.00 C ATOM 1289 CD GLU A 105 -20.761 9.837 -7.779 1.00 0.00 C ATOM 1290 OE1 GLU A 105 -21.404 9.989 -6.720 1.00 0.00 O ATOM 1291 OE2 GLU A 105 -21.216 10.128 -8.905 1.00 0.00 O ATOM 0 H GLU A 105 -16.383 9.535 -5.440 1.00 0.00 H new ATOM 0 HA GLU A 105 -16.684 9.178 -8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -18.512 10.921 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -18.376 11.050 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -19.145 8.697 -8.595 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -19.296 8.583 -6.852 1.00 0.00 H new ATOM 1298 N TRP A 106 -14.596 10.658 -7.319 1.00 0.00 N ATOM 1299 CA TRP A 106 -13.553 11.676 -7.322 1.00 0.00 C ATOM 1300 C TRP A 106 -12.517 11.399 -8.406 1.00 0.00 C ATOM 1301 O TRP A 106 -11.444 12.002 -8.420 1.00 0.00 O ATOM 1302 CB TRP A 106 -12.868 11.742 -5.955 1.00 0.00 C ATOM 1303 CG TRP A 106 -13.825 11.897 -4.810 1.00 0.00 C ATOM 1304 CD1 TRP A 106 -14.870 12.772 -4.725 1.00 0.00 C ATOM 1305 CD2 TRP A 106 -13.819 11.158 -3.584 1.00 0.00 C ATOM 1306 NE1 TRP A 106 -15.515 12.620 -3.522 1.00 0.00 N ATOM 1307 CE2 TRP A 106 -14.888 11.635 -2.803 1.00 0.00 C ATOM 1308 CE3 TRP A 106 -13.013 10.138 -3.070 1.00 0.00 C ATOM 1309 CZ2 TRP A 106 -15.173 11.127 -1.538 1.00 0.00 C ATOM 1310 CZ3 TRP A 106 -13.296 9.635 -1.814 1.00 0.00 C ATOM 1311 CH2 TRP A 106 -14.367 10.129 -1.060 1.00 0.00 C ATOM 0 H TRP A 106 -14.257 9.706 -7.179 1.00 0.00 H new ATOM 0 HA TRP A 106 -14.025 12.636 -7.533 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -12.282 10.835 -5.807 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -12.168 12.578 -5.949 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -15.149 13.480 -5.492 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -16.328 13.153 -3.214 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -12.184 9.750 -3.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -16.000 11.506 -0.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -12.680 8.847 -1.407 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -14.561 9.715 -0.082 1.00 0.00 H new ATOM 1322 N LYS A 107 -12.845 10.486 -9.314 1.00 0.00 N ATOM 1323 CA LYS A 107 -11.939 10.131 -10.402 1.00 0.00 C ATOM 1324 C LYS A 107 -12.426 10.710 -11.727 1.00 0.00 C ATOM 1325 O LYS A 107 -13.339 10.173 -12.353 1.00 0.00 O ATOM 1326 CB LYS A 107 -11.804 8.610 -10.512 1.00 0.00 C ATOM 1327 CG LYS A 107 -10.795 8.163 -11.558 1.00 0.00 C ATOM 1328 CD LYS A 107 -10.602 6.654 -11.539 1.00 0.00 C ATOM 1329 CE LYS A 107 -9.551 6.213 -12.545 1.00 0.00 C ATOM 1330 NZ LYS A 107 -8.237 6.872 -12.304 1.00 0.00 N ATOM 0 H LYS A 107 -13.730 9.979 -9.319 1.00 0.00 H new ATOM 0 HA LYS A 107 -10.961 10.557 -10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -11.511 8.208 -9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -12.778 8.184 -10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.132 8.475 -12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.839 8.655 -11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.306 6.337 -10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -11.549 6.162 -11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.429 5.131 -12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.894 6.446 -13.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.492 6.360 -12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.275 7.856 -12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.025 6.861 -11.286 1.00 0.00 H new ATOM 1344 N ASP A 108 -11.809 11.812 -12.144 1.00 0.00 N ATOM 1345 CA ASP A 108 -12.174 12.469 -13.393 1.00 0.00 C ATOM 1346 C ASP A 108 -11.002 12.471 -14.370 1.00 0.00 C ATOM 1347 O ASP A 108 -10.175 13.404 -14.299 1.00 0.00 O ATOM 1348 CB ASP A 108 -12.632 13.903 -13.124 1.00 0.00 C ATOM 1349 CG ASP A 108 -13.004 14.640 -14.396 1.00 0.00 C ATOM 1350 OD1 ASP A 108 -14.180 14.553 -14.810 1.00 0.00 O ATOM 1351 OD2 ASP A 108 -12.121 15.303 -14.979 1.00 0.00 O ATOM 1352 OXT ASP A 108 -10.921 11.540 -15.198 1.00 0.00 O ATOM 0 H ASP A 108 -11.053 12.269 -11.634 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.996 11.911 -13.842 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.490 13.887 -12.452 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -11.837 14.445 -12.612 1.00 0.00 H new TER 1357 ASP A 108