USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 634 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 63 SER OG : rot -125:sc= 0.702 USER MOD Set 1.2: A 65 ASN :FLIP amide:sc= 0.87 F(o=-2.8!,f=1.6) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -1.98 K(o=-2,f=-4.2!) USER MOD Single : A 21 MET CE :methyl -131:sc= -6.93! (180deg=-12.5!) USER MOD Single : A 22 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -125:sc= -8.21! (180deg=-8.63!) USER MOD Single : A 27 SER OG : rot -79:sc= -7.13! USER MOD Single : A 36 HIS : no HD1:sc= -6.89! C(o=-6.9!,f=-7.6!) USER MOD Single : A 37 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.856 K(o=-0.86,f=-2) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.688 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -12:sc= -1.29 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.46 K(o=-0.46,f=-1.2) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0898 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot -120:sc= -3.07! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -76:sc= 0.895 USER MOD Single : A 92 GLN : amide:sc= -0.0293 K(o=-0.029,f=-0.85) USER MOD Single : A 94 SER OG : rot -38:sc= 1.23 USER MOD Single : A 95 LYS NZ :NH3+ 150:sc= -0.338 (180deg=-1.45!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 14 -1.836 -2.016 -1.210 1.00 0.00 N ATOM 2 CA GLU A 14 -0.584 -2.746 -1.310 1.00 0.00 C ATOM 3 C GLU A 14 0.254 -2.207 -2.472 1.00 0.00 C ATOM 4 O GLU A 14 1.450 -1.966 -2.319 1.00 0.00 O ATOM 5 CB GLU A 14 -0.836 -4.247 -1.467 1.00 0.00 C ATOM 6 CG GLU A 14 -1.763 -4.527 -2.652 1.00 0.00 C ATOM 7 CD GLU A 14 -2.419 -5.903 -2.522 1.00 0.00 C ATOM 8 OE1 GLU A 14 -2.040 -6.841 -3.238 1.00 0.00 O ATOM 9 OE2 GLU A 14 -3.355 -5.980 -1.637 1.00 0.00 O ATOM 0 HA GLU A 14 -0.026 -2.599 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.112 -4.765 -1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.279 -4.642 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.533 -3.757 -2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.196 -4.477 -3.582 1.00 0.00 H new ATOM 17 N ASP A 15 -0.408 -2.033 -3.606 1.00 0.00 N ATOM 18 CA ASP A 15 0.261 -1.527 -4.793 1.00 0.00 C ATOM 19 C ASP A 15 1.611 -2.229 -4.951 1.00 0.00 C ATOM 20 O ASP A 15 2.597 -1.605 -5.338 1.00 0.00 O ATOM 21 CB ASP A 15 0.520 -0.024 -4.679 1.00 0.00 C ATOM 22 CG ASP A 15 0.818 0.476 -3.264 1.00 0.00 C ATOM 23 OD1 ASP A 15 -0.100 0.770 -2.484 1.00 0.00 O ATOM 24 OD2 ASP A 15 2.071 0.561 -2.968 1.00 0.00 O ATOM 0 H ASP A 15 -1.401 -2.233 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.383 -1.718 -5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.360 0.234 -5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.351 0.509 -5.061 1.00 0.00 H new ATOM 30 N GLN A 16 1.611 -3.518 -4.643 1.00 0.00 N ATOM 31 CA GLN A 16 2.824 -4.312 -4.746 1.00 0.00 C ATOM 32 C GLN A 16 3.274 -4.405 -6.205 1.00 0.00 C ATOM 33 O GLN A 16 4.452 -4.219 -6.509 1.00 0.00 O ATOM 34 CB GLN A 16 2.621 -5.704 -4.145 1.00 0.00 C ATOM 35 CG GLN A 16 3.963 -6.351 -3.796 1.00 0.00 C ATOM 36 CD GLN A 16 3.757 -7.684 -3.074 1.00 0.00 C ATOM 37 OE1 GLN A 16 4.077 -8.749 -3.578 1.00 0.00 O ATOM 38 NE2 GLN A 16 3.207 -7.567 -1.869 1.00 0.00 N ATOM 0 H GLN A 16 0.791 -4.032 -4.322 1.00 0.00 H new ATOM 0 HA GLN A 16 3.609 -3.817 -4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.004 -5.631 -3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.082 -6.334 -4.852 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.541 -6.512 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.543 -5.677 -3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.963 -6.645 -1.507 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.029 -8.399 -1.307 1.00 0.00 H new ATOM 47 N GLU A 17 2.313 -4.695 -7.071 1.00 0.00 N ATOM 48 CA GLU A 17 2.597 -4.815 -8.491 1.00 0.00 C ATOM 49 C GLU A 17 3.357 -3.584 -8.987 1.00 0.00 C ATOM 50 O GLU A 17 4.214 -3.691 -9.863 1.00 0.00 O ATOM 51 CB GLU A 17 1.309 -5.024 -9.291 1.00 0.00 C ATOM 52 CG GLU A 17 0.829 -6.473 -9.188 1.00 0.00 C ATOM 53 CD GLU A 17 -0.613 -6.609 -9.683 1.00 0.00 C ATOM 54 OE1 GLU A 17 -1.470 -5.785 -9.330 1.00 0.00 O ATOM 55 OE2 GLU A 17 -0.830 -7.614 -10.462 1.00 0.00 O ATOM 0 H GLU A 17 1.338 -4.850 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 17 3.227 -5.691 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.534 -4.353 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.480 -4.767 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.482 -7.119 -9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.895 -6.809 -8.153 1.00 0.00 H new ATOM 63 N GLN A 18 3.016 -2.443 -8.405 1.00 0.00 N ATOM 64 CA GLN A 18 3.657 -1.193 -8.777 1.00 0.00 C ATOM 65 C GLN A 18 5.146 -1.236 -8.430 1.00 0.00 C ATOM 66 O GLN A 18 5.964 -0.619 -9.112 1.00 0.00 O ATOM 67 CB GLN A 18 2.970 -0.004 -8.103 1.00 0.00 C ATOM 68 CG GLN A 18 1.691 0.385 -8.847 1.00 0.00 C ATOM 69 CD GLN A 18 0.752 -0.815 -8.987 1.00 0.00 C ATOM 70 OE1 GLN A 18 0.973 -1.720 -9.773 1.00 0.00 O ATOM 71 NE2 GLN A 18 -0.306 -0.770 -8.181 1.00 0.00 N ATOM 0 H GLN A 18 2.305 -2.358 -7.679 1.00 0.00 H new ATOM 0 HA GLN A 18 3.560 -1.063 -9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.731 -0.255 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.651 0.846 -8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.184 1.187 -8.311 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.944 0.771 -9.835 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.430 0.019 -7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.993 -1.524 -8.198 1.00 0.00 H new ATOM 80 N TRP A 19 5.454 -1.970 -7.371 1.00 0.00 N ATOM 81 CA TRP A 19 6.830 -2.101 -6.925 1.00 0.00 C ATOM 82 C TRP A 19 7.668 -2.579 -8.113 1.00 0.00 C ATOM 83 O TRP A 19 8.839 -2.220 -8.236 1.00 0.00 O ATOM 84 CB TRP A 19 6.928 -3.028 -5.713 1.00 0.00 C ATOM 85 CG TRP A 19 8.296 -3.014 -5.027 1.00 0.00 C ATOM 86 CD1 TRP A 19 8.892 -1.992 -4.396 1.00 0.00 C ATOM 87 CD2 TRP A 19 9.220 -4.118 -4.927 1.00 0.00 C ATOM 88 NE1 TRP A 19 10.127 -2.356 -3.900 1.00 0.00 N ATOM 89 CE2 TRP A 19 10.333 -3.690 -4.233 1.00 0.00 C ATOM 90 CE3 TRP A 19 9.118 -5.435 -5.408 1.00 0.00 C ATOM 91 CZ2 TRP A 19 11.429 -4.516 -3.957 1.00 0.00 C ATOM 92 CZ3 TRP A 19 10.222 -6.248 -5.124 1.00 0.00 C ATOM 93 CH2 TRP A 19 11.350 -5.832 -4.426 1.00 0.00 C ATOM 0 H TRP A 19 4.773 -2.481 -6.809 1.00 0.00 H new ATOM 0 HA TRP A 19 7.219 -1.140 -6.588 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.166 -2.742 -4.988 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.702 -4.047 -6.028 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.460 -1.008 -4.289 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.771 -1.756 -3.384 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.257 -5.791 -5.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 12.289 -4.157 -3.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 10.195 -7.270 -5.472 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.162 -6.521 -4.247 1.00 0.00 H new ATOM 104 N ALA A 20 7.036 -3.380 -8.958 1.00 0.00 N ATOM 105 CA ALA A 20 7.709 -3.911 -10.131 1.00 0.00 C ATOM 106 C ALA A 20 8.156 -2.753 -11.025 1.00 0.00 C ATOM 107 O ALA A 20 9.310 -2.701 -11.449 1.00 0.00 O ATOM 108 CB ALA A 20 6.777 -4.882 -10.858 1.00 0.00 C ATOM 0 H ALA A 20 6.065 -3.674 -8.854 1.00 0.00 H new ATOM 0 HA ALA A 20 8.600 -4.468 -9.843 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.282 -5.281 -11.738 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.512 -5.701 -10.190 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.872 -4.357 -11.165 1.00 0.00 H new ATOM 114 N MET A 21 7.220 -1.852 -11.285 1.00 0.00 N ATOM 115 CA MET A 21 7.503 -0.698 -12.120 1.00 0.00 C ATOM 116 C MET A 21 8.770 0.021 -11.652 1.00 0.00 C ATOM 117 O MET A 21 9.428 0.702 -12.436 1.00 0.00 O ATOM 118 CB MET A 21 6.320 0.271 -12.072 1.00 0.00 C ATOM 119 CG MET A 21 5.133 -0.274 -12.870 1.00 0.00 C ATOM 120 SD MET A 21 4.085 1.070 -13.400 1.00 0.00 S ATOM 121 CE MET A 21 5.042 1.685 -14.776 1.00 0.00 C ATOM 0 H MET A 21 6.264 -1.898 -10.932 1.00 0.00 H new ATOM 0 HA MET A 21 7.660 -1.044 -13.142 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.022 0.436 -11.037 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.621 1.238 -12.475 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.491 -0.830 -13.736 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.562 -0.972 -12.257 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.148 2.767 -14.691 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.029 1.222 -14.769 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.534 1.442 -15.710 1.00 0.00 H new ATOM 131 N GLN A 22 9.074 -0.156 -10.374 1.00 0.00 N ATOM 132 CA GLN A 22 10.251 0.467 -9.792 1.00 0.00 C ATOM 133 C GLN A 22 11.416 0.429 -10.782 1.00 0.00 C ATOM 134 O GLN A 22 11.730 1.436 -11.415 1.00 0.00 O ATOM 135 CB GLN A 22 10.631 -0.207 -8.472 1.00 0.00 C ATOM 136 CG GLN A 22 11.812 0.508 -7.811 1.00 0.00 C ATOM 137 CD GLN A 22 11.355 1.792 -7.116 1.00 0.00 C ATOM 138 OE1 GLN A 22 11.587 2.896 -7.581 1.00 0.00 O ATOM 139 NE2 GLN A 22 10.696 1.587 -5.979 1.00 0.00 N ATOM 0 H GLN A 22 8.526 -0.722 -9.726 1.00 0.00 H new ATOM 0 HA GLN A 22 10.017 1.510 -9.576 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.775 -0.202 -7.798 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.888 -1.251 -8.653 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.283 -0.155 -7.085 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.565 0.745 -8.562 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.536 0.636 -5.647 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.351 2.381 -5.440 1.00 0.00 H new ATOM 148 N THR A 23 12.027 -0.742 -10.885 1.00 0.00 N ATOM 149 CA THR A 23 13.151 -0.924 -11.787 1.00 0.00 C ATOM 150 C THR A 23 12.720 -0.671 -13.233 1.00 0.00 C ATOM 151 O THR A 23 13.413 0.019 -13.980 1.00 0.00 O ATOM 152 CB THR A 23 13.718 -2.327 -11.559 1.00 0.00 C ATOM 153 OG1 THR A 23 14.859 -2.109 -10.734 1.00 0.00 O ATOM 154 CG2 THR A 23 14.294 -2.940 -12.837 1.00 0.00 C ATOM 0 H THR A 23 11.764 -1.575 -10.358 1.00 0.00 H new ATOM 0 HA THR A 23 13.942 -0.201 -11.585 1.00 0.00 H new ATOM 0 HB THR A 23 12.935 -2.976 -11.166 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.288 -2.968 -10.535 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.683 -3.935 -12.620 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.510 -3.013 -13.591 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.100 -2.309 -13.212 1.00 0.00 H new ATOM 162 N LEU A 24 11.577 -1.242 -13.586 1.00 0.00 N ATOM 163 CA LEU A 24 11.046 -1.087 -14.929 1.00 0.00 C ATOM 164 C LEU A 24 11.254 0.357 -15.391 1.00 0.00 C ATOM 165 O LEU A 24 12.116 0.627 -16.226 1.00 0.00 O ATOM 166 CB LEU A 24 9.588 -1.546 -14.985 1.00 0.00 C ATOM 167 CG LEU A 24 9.107 -2.089 -16.332 1.00 0.00 C ATOM 168 CD1 LEU A 24 8.969 -3.612 -16.291 1.00 0.00 C ATOM 169 CD2 LEU A 24 7.807 -1.407 -16.765 1.00 0.00 C ATOM 0 H LEU A 24 11.004 -1.813 -12.964 1.00 0.00 H new ATOM 0 HA LEU A 24 11.585 -1.727 -15.628 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.442 -2.319 -14.231 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.952 -0.705 -14.707 1.00 0.00 H new ATOM 0 HG LEU A 24 9.860 -1.854 -17.084 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.626 -3.972 -17.261 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.936 -4.059 -16.059 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.247 -3.891 -15.524 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.487 -1.811 -17.725 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.034 -1.590 -16.018 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.973 -0.334 -16.860 1.00 0.00 H new ATOM 181 N MET A 25 10.449 1.247 -14.829 1.00 0.00 N ATOM 182 CA MET A 25 10.534 2.656 -15.173 1.00 0.00 C ATOM 183 C MET A 25 11.948 3.193 -14.940 1.00 0.00 C ATOM 184 O MET A 25 12.411 4.068 -15.670 1.00 0.00 O ATOM 185 CB MET A 25 9.540 3.450 -14.323 1.00 0.00 C ATOM 186 CG MET A 25 8.161 2.788 -14.332 1.00 0.00 C ATOM 187 SD MET A 25 6.889 4.024 -14.125 1.00 0.00 S ATOM 188 CE MET A 25 6.928 4.782 -15.741 1.00 0.00 C ATOM 0 H MET A 25 9.735 1.019 -14.138 1.00 0.00 H new ATOM 0 HA MET A 25 10.293 2.768 -16.230 1.00 0.00 H new ATOM 0 HB2 MET A 25 9.907 3.521 -13.299 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.461 4.468 -14.705 1.00 0.00 H new ATOM 0 HG2 MET A 25 8.011 2.254 -15.270 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.097 2.051 -13.532 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.085 5.855 -15.636 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.742 4.352 -16.325 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.981 4.602 -16.250 1.00 0.00 H new ATOM 198 N GLY A 26 12.594 2.645 -13.921 1.00 0.00 N ATOM 199 CA GLY A 26 13.946 3.058 -13.584 1.00 0.00 C ATOM 200 C GLY A 26 14.930 2.672 -14.690 1.00 0.00 C ATOM 201 O GLY A 26 16.042 3.195 -14.746 1.00 0.00 O ATOM 0 H GLY A 26 12.207 1.919 -13.318 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.972 4.137 -13.429 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.248 2.594 -12.645 1.00 0.00 H new ATOM 205 N SER A 27 14.484 1.761 -15.543 1.00 0.00 N ATOM 206 CA SER A 27 15.312 1.300 -16.645 1.00 0.00 C ATOM 207 C SER A 27 15.565 2.447 -17.625 1.00 0.00 C ATOM 208 O SER A 27 16.526 2.412 -18.392 1.00 0.00 O ATOM 209 CB SER A 27 14.659 0.119 -17.366 1.00 0.00 C ATOM 210 OG SER A 27 13.947 0.532 -18.530 1.00 0.00 O ATOM 0 H SER A 27 13.561 1.330 -15.493 1.00 0.00 H new ATOM 0 HA SER A 27 16.265 0.961 -16.239 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.426 -0.603 -17.647 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.977 -0.389 -16.685 1.00 0.00 H new ATOM 0 HG SER A 27 13.079 0.903 -18.268 1.00 0.00 H new ATOM 216 N GLY A 28 14.686 3.437 -17.568 1.00 0.00 N ATOM 217 CA GLY A 28 14.803 4.592 -18.441 1.00 0.00 C ATOM 218 C GLY A 28 13.905 4.442 -19.671 1.00 0.00 C ATOM 219 O GLY A 28 14.069 5.163 -20.655 1.00 0.00 O ATOM 0 H GLY A 28 13.890 3.463 -16.931 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.530 5.495 -17.895 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.840 4.711 -18.755 1.00 0.00 H new ATOM 223 N VAL A 29 12.977 3.502 -19.576 1.00 0.00 N ATOM 224 CA VAL A 29 12.054 3.248 -20.669 1.00 0.00 C ATOM 225 C VAL A 29 11.025 4.379 -20.735 1.00 0.00 C ATOM 226 O VAL A 29 10.757 4.917 -21.808 1.00 0.00 O ATOM 227 CB VAL A 29 11.415 1.868 -20.504 1.00 0.00 C ATOM 228 CG1 VAL A 29 10.184 1.723 -21.402 1.00 0.00 C ATOM 229 CG2 VAL A 29 12.430 0.757 -20.782 1.00 0.00 C ATOM 0 H VAL A 29 12.844 2.907 -18.759 1.00 0.00 H new ATOM 0 HA VAL A 29 12.584 3.234 -21.621 1.00 0.00 H new ATOM 0 HB VAL A 29 11.088 1.772 -19.469 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.749 0.733 -21.266 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.449 2.483 -21.137 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.477 1.850 -22.444 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.950 -0.214 -20.658 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.801 0.850 -21.803 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.263 0.842 -20.084 1.00 0.00 H new ATOM 239 N LEU A 30 10.478 4.707 -19.574 1.00 0.00 N ATOM 240 CA LEU A 30 9.485 5.764 -19.486 1.00 0.00 C ATOM 241 C LEU A 30 10.113 6.995 -18.832 1.00 0.00 C ATOM 242 O LEU A 30 11.278 6.967 -18.438 1.00 0.00 O ATOM 243 CB LEU A 30 8.229 5.261 -18.772 1.00 0.00 C ATOM 244 CG LEU A 30 7.182 4.579 -19.655 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.189 3.778 -18.811 1.00 0.00 C ATOM 246 CD2 LEU A 30 6.478 5.596 -20.556 1.00 0.00 C ATOM 0 H LEU A 30 10.704 4.259 -18.686 1.00 0.00 H new ATOM 0 HA LEU A 30 9.159 6.064 -20.482 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.533 4.559 -17.996 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.757 6.106 -18.271 1.00 0.00 H new ATOM 0 HG LEU A 30 7.695 3.871 -20.306 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.456 3.304 -19.464 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.724 3.012 -18.249 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.679 4.446 -18.118 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.739 5.085 -21.173 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.981 6.345 -19.940 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.212 6.083 -21.198 1.00 0.00 H new ATOM 258 N ALA A 31 9.314 8.047 -18.735 1.00 0.00 N ATOM 259 CA ALA A 31 9.778 9.287 -18.135 1.00 0.00 C ATOM 260 C ALA A 31 8.960 9.574 -16.874 1.00 0.00 C ATOM 261 O ALA A 31 7.749 9.363 -16.853 1.00 0.00 O ATOM 262 CB ALA A 31 9.684 10.418 -19.161 1.00 0.00 C ATOM 0 H ALA A 31 8.348 8.067 -19.062 1.00 0.00 H new ATOM 0 HA ALA A 31 10.824 9.203 -17.839 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.032 11.348 -18.711 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.305 10.178 -20.024 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.648 10.535 -19.480 1.00 0.00 H new ATOM 268 N ARG A 32 9.656 10.052 -15.852 1.00 0.00 N ATOM 269 CA ARG A 32 9.010 10.371 -14.590 1.00 0.00 C ATOM 270 C ARG A 32 9.295 11.822 -14.200 1.00 0.00 C ATOM 271 O ARG A 32 10.294 12.399 -14.627 1.00 0.00 O ATOM 272 CB ARG A 32 9.497 9.445 -13.473 1.00 0.00 C ATOM 273 CG ARG A 32 9.489 7.984 -13.930 1.00 0.00 C ATOM 274 CD ARG A 32 10.466 7.146 -13.103 1.00 0.00 C ATOM 275 NE ARG A 32 9.750 6.486 -11.989 1.00 0.00 N ATOM 276 CZ ARG A 32 10.187 5.384 -11.364 1.00 0.00 C ATOM 277 NH1 ARG A 32 11.340 4.813 -11.739 1.00 0.00 N ATOM 278 NH2 ARG A 32 9.471 4.853 -10.363 1.00 0.00 N ATOM 0 H ARG A 32 10.661 10.226 -15.873 1.00 0.00 H new ATOM 0 HA ARG A 32 7.937 10.231 -14.722 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.505 9.730 -13.173 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.859 9.559 -12.597 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.483 7.575 -13.835 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.758 7.928 -14.985 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.941 6.396 -13.736 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.260 7.781 -12.710 1.00 0.00 H new ATOM 0 HE ARG A 32 8.869 6.895 -11.677 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.885 5.217 -12.500 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.672 3.974 -11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.594 5.288 -10.077 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.803 4.014 -9.887 1.00 0.00 H new ATOM 292 N CYS A 33 8.399 12.371 -13.393 1.00 0.00 N ATOM 293 CA CYS A 33 8.541 13.745 -12.941 1.00 0.00 C ATOM 294 C CYS A 33 9.781 13.830 -12.049 1.00 0.00 C ATOM 295 O CYS A 33 10.024 12.945 -11.230 1.00 0.00 O ATOM 296 CB CYS A 33 7.285 14.236 -12.220 1.00 0.00 C ATOM 297 SG CYS A 33 6.224 15.174 -13.379 1.00 0.00 S ATOM 0 H CYS A 33 7.572 11.889 -13.040 1.00 0.00 H new ATOM 0 HA CYS A 33 8.667 14.403 -13.801 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.733 13.388 -11.815 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.563 14.868 -11.377 1.00 0.00 H new ATOM 302 N ARG A 34 10.534 14.905 -12.237 1.00 0.00 N ATOM 303 CA ARG A 34 11.743 15.117 -11.460 1.00 0.00 C ATOM 304 C ARG A 34 11.389 15.471 -10.014 1.00 0.00 C ATOM 305 O ARG A 34 12.272 15.593 -9.167 1.00 0.00 O ATOM 306 CB ARG A 34 12.592 16.240 -12.058 1.00 0.00 C ATOM 307 CG ARG A 34 11.953 17.607 -11.803 1.00 0.00 C ATOM 308 CD ARG A 34 12.730 18.717 -12.513 1.00 0.00 C ATOM 309 NE ARG A 34 13.021 18.319 -13.909 1.00 0.00 N ATOM 310 CZ ARG A 34 14.012 18.837 -14.647 1.00 0.00 C ATOM 311 NH1 ARG A 34 14.813 19.777 -14.128 1.00 0.00 N ATOM 312 NH2 ARG A 34 14.202 18.415 -15.905 1.00 0.00 N ATOM 0 H ARG A 34 10.330 15.638 -12.916 1.00 0.00 H new ATOM 0 HA ARG A 34 12.318 14.191 -11.482 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.592 16.215 -11.624 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.706 16.083 -13.130 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.920 17.600 -12.152 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.926 17.805 -10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.152 19.641 -12.503 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.661 18.918 -11.982 1.00 0.00 H new ATOM 0 HE ARG A 34 12.430 17.606 -14.336 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.668 20.098 -13.171 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.567 20.171 -14.690 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.592 17.699 -16.301 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.956 18.809 -16.467 1.00 0.00 H new ATOM 326 N ILE A 35 10.094 15.625 -9.776 1.00 0.00 N ATOM 327 CA ILE A 35 9.613 15.961 -8.447 1.00 0.00 C ATOM 328 C ILE A 35 8.973 14.725 -7.812 1.00 0.00 C ATOM 329 O ILE A 35 8.810 14.661 -6.595 1.00 0.00 O ATOM 330 CB ILE A 35 8.682 17.174 -8.505 1.00 0.00 C ATOM 331 CG1 ILE A 35 9.319 18.317 -9.297 1.00 0.00 C ATOM 332 CG2 ILE A 35 8.263 17.612 -7.101 1.00 0.00 C ATOM 333 CD1 ILE A 35 8.250 19.201 -9.942 1.00 0.00 C ATOM 0 H ILE A 35 9.364 15.523 -10.481 1.00 0.00 H new ATOM 0 HA ILE A 35 10.443 16.255 -7.805 1.00 0.00 H new ATOM 0 HB ILE A 35 7.775 16.883 -9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.943 18.919 -8.636 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.973 17.909 -10.068 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.602 18.476 -7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.740 16.794 -6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.148 17.879 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.731 20.006 -10.499 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.643 18.602 -10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.613 19.627 -9.166 1.00 0.00 H new ATOM 345 N HIS A 36 8.628 13.772 -8.667 1.00 0.00 N ATOM 346 CA HIS A 36 8.010 12.541 -8.205 1.00 0.00 C ATOM 347 C HIS A 36 8.334 11.407 -9.179 1.00 0.00 C ATOM 348 O HIS A 36 8.096 11.528 -10.380 1.00 0.00 O ATOM 349 CB HIS A 36 6.506 12.733 -7.998 1.00 0.00 C ATOM 350 CG HIS A 36 5.898 13.806 -8.869 1.00 0.00 C ATOM 351 ND1 HIS A 36 5.261 13.528 -10.066 1.00 0.00 N ATOM 352 CD2 HIS A 36 5.835 15.158 -8.704 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.839 14.669 -10.590 1.00 0.00 C ATOM 354 NE2 HIS A 36 5.196 15.678 -9.745 1.00 0.00 N ATOM 0 H HIS A 36 8.765 13.828 -9.676 1.00 0.00 H new ATOM 0 HA HIS A 36 8.420 12.267 -7.233 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.999 11.789 -8.196 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.322 12.981 -6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.237 15.712 -7.868 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.306 14.781 -11.523 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.004 16.669 -9.889 1.00 0.00 H new ATOM 362 N ASN A 37 8.873 10.331 -8.626 1.00 0.00 N ATOM 363 CA ASN A 37 9.233 9.176 -9.431 1.00 0.00 C ATOM 364 C ASN A 37 8.116 8.133 -9.347 1.00 0.00 C ATOM 365 O ASN A 37 8.141 7.133 -10.063 1.00 0.00 O ATOM 366 CB ASN A 37 10.523 8.530 -8.922 1.00 0.00 C ATOM 367 CG ASN A 37 10.217 7.361 -7.984 1.00 0.00 C ATOM 368 OD1 ASN A 37 10.442 6.203 -8.297 1.00 0.00 O ATOM 369 ND2 ASN A 37 9.693 7.726 -6.817 1.00 0.00 N ATOM 0 H ASN A 37 9.069 10.234 -7.630 1.00 0.00 H new ATOM 0 HA ASN A 37 9.379 9.513 -10.457 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.116 8.178 -9.766 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.124 9.273 -8.399 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.454 7.019 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.530 8.713 -6.618 1.00 0.00 H new ATOM 376 N ASP A 38 7.164 8.403 -8.466 1.00 0.00 N ATOM 377 CA ASP A 38 6.040 7.500 -8.279 1.00 0.00 C ATOM 378 C ASP A 38 5.021 7.723 -9.398 1.00 0.00 C ATOM 379 O ASP A 38 3.973 7.080 -9.425 1.00 0.00 O ATOM 380 CB ASP A 38 5.341 7.761 -6.944 1.00 0.00 C ATOM 381 CG ASP A 38 4.037 6.988 -6.735 1.00 0.00 C ATOM 382 OD1 ASP A 38 4.006 5.752 -6.822 1.00 0.00 O ATOM 383 OD2 ASP A 38 3.007 7.718 -6.469 1.00 0.00 O ATOM 0 H ASP A 38 7.147 9.233 -7.874 1.00 0.00 H new ATOM 0 HA ASP A 38 6.421 6.479 -8.293 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.028 7.510 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.131 8.827 -6.864 1.00 0.00 H new ATOM 389 N VAL A 39 5.365 8.635 -10.295 1.00 0.00 N ATOM 390 CA VAL A 39 4.493 8.950 -11.414 1.00 0.00 C ATOM 391 C VAL A 39 5.059 8.322 -12.689 1.00 0.00 C ATOM 392 O VAL A 39 6.259 8.068 -12.781 1.00 0.00 O ATOM 393 CB VAL A 39 4.310 10.465 -11.525 1.00 0.00 C ATOM 394 CG1 VAL A 39 5.486 11.107 -12.265 1.00 0.00 C ATOM 395 CG2 VAL A 39 2.982 10.809 -12.202 1.00 0.00 C ATOM 0 H VAL A 39 6.236 9.166 -10.270 1.00 0.00 H new ATOM 0 HA VAL A 39 3.501 8.527 -11.255 1.00 0.00 H new ATOM 0 HB VAL A 39 4.287 10.874 -10.515 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.331 12.184 -12.330 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.410 10.906 -11.723 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.556 10.689 -13.269 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.877 11.892 -12.268 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.963 10.381 -13.204 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.159 10.400 -11.617 1.00 0.00 H new ATOM 405 N ILE A 40 4.168 8.088 -13.641 1.00 0.00 N ATOM 406 CA ILE A 40 4.563 7.494 -14.907 1.00 0.00 C ATOM 407 C ILE A 40 4.146 8.419 -16.052 1.00 0.00 C ATOM 408 O ILE A 40 3.000 8.861 -16.112 1.00 0.00 O ATOM 409 CB ILE A 40 4.006 6.074 -15.030 1.00 0.00 C ATOM 410 CG1 ILE A 40 3.708 5.727 -16.490 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.781 5.886 -14.133 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.499 4.221 -16.663 1.00 0.00 C ATOM 0 H ILE A 40 3.173 8.299 -13.561 1.00 0.00 H new ATOM 0 HA ILE A 40 5.647 7.392 -14.958 1.00 0.00 H new ATOM 0 HB ILE A 40 4.768 5.376 -14.683 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.818 6.262 -16.820 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.532 6.059 -17.122 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.405 4.869 -14.239 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.060 6.063 -13.094 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.004 6.592 -14.425 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.289 4.001 -17.710 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.400 3.691 -16.354 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.659 3.897 -16.048 1.00 0.00 H new ATOM 424 N LEU A 41 5.100 8.684 -16.933 1.00 0.00 N ATOM 425 CA LEU A 41 4.846 9.549 -18.073 1.00 0.00 C ATOM 426 C LEU A 41 5.480 8.936 -19.323 1.00 0.00 C ATOM 427 O LEU A 41 6.571 8.372 -19.257 1.00 0.00 O ATOM 428 CB LEU A 41 5.318 10.974 -17.780 1.00 0.00 C ATOM 429 CG LEU A 41 5.278 11.406 -16.312 1.00 0.00 C ATOM 430 CD1 LEU A 41 6.266 12.543 -16.048 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.855 11.772 -15.887 1.00 0.00 C ATOM 0 H LEU A 41 6.050 8.315 -16.880 1.00 0.00 H new ATOM 0 HA LEU A 41 3.775 9.626 -18.262 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.341 11.078 -18.141 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.704 11.665 -18.358 1.00 0.00 H new ATOM 0 HG LEU A 41 5.589 10.561 -15.698 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.217 12.831 -14.998 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.276 12.210 -16.287 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.010 13.400 -16.671 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.855 12.075 -14.840 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.491 12.594 -16.503 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.203 10.908 -16.015 1.00 0.00 H new ATOM 443 N ASP A 42 4.769 9.067 -20.433 1.00 0.00 N ATOM 444 CA ASP A 42 5.249 8.534 -21.697 1.00 0.00 C ATOM 445 C ASP A 42 6.592 9.180 -22.042 1.00 0.00 C ATOM 446 O ASP A 42 6.729 10.401 -21.985 1.00 0.00 O ATOM 447 CB ASP A 42 4.270 8.842 -22.832 1.00 0.00 C ATOM 448 CG ASP A 42 3.077 7.890 -22.933 1.00 0.00 C ATOM 449 OD1 ASP A 42 2.470 7.738 -24.004 1.00 0.00 O ATOM 450 OD2 ASP A 42 2.770 7.281 -21.838 1.00 0.00 O ATOM 0 H ASP A 42 3.864 9.535 -20.484 1.00 0.00 H new ATOM 0 HA ASP A 42 5.349 7.454 -21.591 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.895 9.857 -22.703 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.814 8.821 -23.776 1.00 0.00 H new ATOM 456 N SER A 43 7.548 8.333 -22.392 1.00 0.00 N ATOM 457 CA SER A 43 8.875 8.806 -22.746 1.00 0.00 C ATOM 458 C SER A 43 8.998 8.931 -24.266 1.00 0.00 C ATOM 459 O SER A 43 9.781 9.738 -24.765 1.00 0.00 O ATOM 460 CB SER A 43 9.957 7.872 -22.200 1.00 0.00 C ATOM 461 OG SER A 43 11.267 8.316 -22.543 1.00 0.00 O ATOM 0 H SER A 43 7.430 7.321 -22.438 1.00 0.00 H new ATOM 0 HA SER A 43 9.020 9.788 -22.295 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.868 7.809 -21.116 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.800 6.867 -22.592 1.00 0.00 H new ATOM 0 HG SER A 43 11.930 7.695 -22.175 1.00 0.00 H new ATOM 467 N GLY A 44 8.213 8.119 -24.959 1.00 0.00 N ATOM 468 CA GLY A 44 8.224 8.129 -26.412 1.00 0.00 C ATOM 469 C GLY A 44 9.285 7.171 -26.959 1.00 0.00 C ATOM 470 O GLY A 44 9.719 7.306 -28.101 1.00 0.00 O ATOM 0 H GLY A 44 7.566 7.450 -24.542 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.242 7.843 -26.789 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.421 9.139 -26.771 1.00 0.00 H new ATOM 474 N ASN A 45 9.671 6.224 -26.116 1.00 0.00 N ATOM 475 CA ASN A 45 10.672 5.243 -26.500 1.00 0.00 C ATOM 476 C ASN A 45 10.025 3.858 -26.564 1.00 0.00 C ATOM 477 O ASN A 45 8.934 3.654 -26.034 1.00 0.00 O ATOM 478 CB ASN A 45 11.809 5.187 -25.478 1.00 0.00 C ATOM 479 CG ASN A 45 13.028 4.463 -26.053 1.00 0.00 C ATOM 480 OD1 ASN A 45 13.148 3.250 -25.991 1.00 0.00 O ATOM 481 ND2 ASN A 45 13.923 5.272 -26.613 1.00 0.00 N ATOM 0 H ASN A 45 9.309 6.115 -25.169 1.00 0.00 H new ATOM 0 HA ASN A 45 11.074 5.534 -27.471 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.088 6.199 -25.183 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.469 4.675 -24.578 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.772 4.886 -27.025 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.760 6.279 -26.631 1.00 0.00 H new ATOM 488 N ASP A 46 10.725 2.943 -27.218 1.00 0.00 N ATOM 489 CA ASP A 46 10.232 1.583 -27.358 1.00 0.00 C ATOM 490 C ASP A 46 9.934 1.008 -25.972 1.00 0.00 C ATOM 491 O ASP A 46 10.841 0.840 -25.158 1.00 0.00 O ATOM 492 CB ASP A 46 11.275 0.686 -28.028 1.00 0.00 C ATOM 493 CG ASP A 46 11.737 1.152 -29.411 1.00 0.00 C ATOM 494 OD1 ASP A 46 11.289 2.192 -29.916 1.00 0.00 O ATOM 495 OD2 ASP A 46 12.605 0.388 -29.981 1.00 0.00 O ATOM 0 H ASP A 46 11.629 3.116 -27.657 1.00 0.00 H new ATOM 0 HA ASP A 46 9.332 1.612 -27.973 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.145 0.616 -27.375 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.863 -0.319 -28.119 1.00 0.00 H new ATOM 501 N ALA A 47 8.661 0.721 -25.747 1.00 0.00 N ATOM 502 CA ALA A 47 8.232 0.168 -24.474 1.00 0.00 C ATOM 503 C ALA A 47 8.705 -1.283 -24.367 1.00 0.00 C ATOM 504 O ALA A 47 8.744 -1.848 -23.276 1.00 0.00 O ATOM 505 CB ALA A 47 6.713 0.297 -24.346 1.00 0.00 C ATOM 0 H ALA A 47 7.912 0.861 -26.425 1.00 0.00 H new ATOM 0 HA ALA A 47 8.677 0.721 -23.647 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.392 -0.118 -23.391 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.432 1.349 -24.398 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.232 -0.248 -25.158 1.00 0.00 H new ATOM 511 N SER A 48 9.053 -1.844 -25.516 1.00 0.00 N ATOM 512 CA SER A 48 9.522 -3.218 -25.566 1.00 0.00 C ATOM 513 C SER A 48 10.671 -3.415 -24.575 1.00 0.00 C ATOM 514 O SER A 48 10.828 -4.495 -24.007 1.00 0.00 O ATOM 515 CB SER A 48 9.969 -3.597 -26.979 1.00 0.00 C ATOM 516 OG SER A 48 8.864 -3.737 -27.869 1.00 0.00 O ATOM 0 H SER A 48 9.019 -1.372 -26.419 1.00 0.00 H new ATOM 0 HA SER A 48 8.695 -3.872 -25.289 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.648 -2.835 -27.361 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.527 -4.533 -26.944 1.00 0.00 H new ATOM 0 HG SER A 48 9.191 -3.978 -28.761 1.00 0.00 H new ATOM 522 N SER A 49 11.445 -2.355 -24.397 1.00 0.00 N ATOM 523 CA SER A 49 12.575 -2.398 -23.485 1.00 0.00 C ATOM 524 C SER A 49 12.086 -2.660 -22.059 1.00 0.00 C ATOM 525 O SER A 49 12.534 -3.604 -21.409 1.00 0.00 O ATOM 526 CB SER A 49 13.377 -1.096 -23.540 1.00 0.00 C ATOM 527 OG SER A 49 14.410 -1.146 -24.520 1.00 0.00 O ATOM 0 H SER A 49 11.312 -1.461 -24.869 1.00 0.00 H new ATOM 0 HA SER A 49 13.232 -3.211 -23.793 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.706 -0.266 -23.763 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.815 -0.898 -22.562 1.00 0.00 H new ATOM 0 HG SER A 49 14.898 -0.296 -24.525 1.00 0.00 H new ATOM 533 N ALA A 50 11.174 -1.808 -21.613 1.00 0.00 N ATOM 534 CA ALA A 50 10.620 -1.936 -20.276 1.00 0.00 C ATOM 535 C ALA A 50 9.970 -3.313 -20.128 1.00 0.00 C ATOM 536 O ALA A 50 10.110 -3.961 -19.092 1.00 0.00 O ATOM 537 CB ALA A 50 9.634 -0.795 -20.021 1.00 0.00 C ATOM 0 H ALA A 50 10.805 -1.026 -22.154 1.00 0.00 H new ATOM 0 HA ALA A 50 11.407 -1.861 -19.525 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.218 -0.891 -19.018 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.152 0.160 -20.109 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.828 -0.840 -20.754 1.00 0.00 H new ATOM 543 N TYR A 51 9.272 -3.719 -21.179 1.00 0.00 N ATOM 544 CA TYR A 51 8.600 -5.007 -21.178 1.00 0.00 C ATOM 545 C TYR A 51 9.581 -6.137 -20.864 1.00 0.00 C ATOM 546 O TYR A 51 9.269 -7.037 -20.085 1.00 0.00 O ATOM 547 CB TYR A 51 8.056 -5.199 -22.595 1.00 0.00 C ATOM 548 CG TYR A 51 7.052 -4.128 -23.027 1.00 0.00 C ATOM 549 CD1 TYR A 51 6.652 -3.156 -22.133 1.00 0.00 C ATOM 550 CD2 TYR A 51 6.547 -4.134 -24.312 1.00 0.00 C ATOM 551 CE1 TYR A 51 5.708 -2.148 -22.539 1.00 0.00 C ATOM 552 CE2 TYR A 51 5.602 -3.126 -24.718 1.00 0.00 C ATOM 553 CZ TYR A 51 5.229 -2.183 -23.812 1.00 0.00 C ATOM 554 OH TYR A 51 4.337 -1.231 -24.196 1.00 0.00 O ATOM 0 H TYR A 51 9.158 -3.179 -22.037 1.00 0.00 H new ATOM 0 HA TYR A 51 7.815 -5.030 -20.422 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.891 -5.204 -23.296 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.579 -6.177 -22.661 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.047 -3.152 -21.128 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.860 -4.894 -25.012 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.387 -1.382 -21.849 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.199 -3.119 -25.720 1.00 0.00 H new ATOM 0 HH TYR A 51 4.082 -1.379 -25.131 1.00 0.00 H new ATOM 564 N LYS A 52 10.748 -6.055 -21.486 1.00 0.00 N ATOM 565 CA LYS A 52 11.777 -7.060 -21.282 1.00 0.00 C ATOM 566 C LYS A 52 12.284 -6.980 -19.840 1.00 0.00 C ATOM 567 O LYS A 52 12.455 -8.004 -19.181 1.00 0.00 O ATOM 568 CB LYS A 52 12.882 -6.917 -22.331 1.00 0.00 C ATOM 569 CG LYS A 52 14.154 -6.335 -21.711 1.00 0.00 C ATOM 570 CD LYS A 52 15.279 -6.253 -22.744 1.00 0.00 C ATOM 571 CE LYS A 52 15.894 -7.632 -22.996 1.00 0.00 C ATOM 572 NZ LYS A 52 16.394 -7.730 -24.386 1.00 0.00 N ATOM 0 H LYS A 52 11.004 -5.308 -22.132 1.00 0.00 H new ATOM 0 HA LYS A 52 11.365 -8.060 -21.421 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.100 -7.891 -22.770 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.539 -6.272 -23.140 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.947 -5.341 -21.313 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.470 -6.955 -20.872 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.891 -5.848 -23.678 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.049 -5.566 -22.394 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.711 -7.806 -22.296 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.149 -8.407 -22.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.808 -8.671 -24.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.606 -7.585 -25.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.120 -7.002 -24.546 1.00 0.00 H new ATOM 586 N LEU A 53 12.509 -5.753 -19.393 1.00 0.00 N ATOM 587 CA LEU A 53 12.993 -5.526 -18.042 1.00 0.00 C ATOM 588 C LEU A 53 11.951 -6.030 -17.041 1.00 0.00 C ATOM 589 O LEU A 53 12.301 -6.498 -15.958 1.00 0.00 O ATOM 590 CB LEU A 53 13.371 -4.057 -17.849 1.00 0.00 C ATOM 591 CG LEU A 53 14.254 -3.442 -18.937 1.00 0.00 C ATOM 592 CD1 LEU A 53 13.839 -1.999 -19.230 1.00 0.00 C ATOM 593 CD2 LEU A 53 15.735 -3.549 -18.568 1.00 0.00 C ATOM 0 H LEU A 53 12.365 -4.906 -19.943 1.00 0.00 H new ATOM 0 HA LEU A 53 13.907 -6.092 -17.864 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.454 -3.473 -17.780 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.885 -3.957 -16.893 1.00 0.00 H new ATOM 0 HG LEU A 53 14.110 -4.011 -19.855 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.483 -1.586 -20.007 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.803 -1.980 -19.569 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.935 -1.402 -18.323 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.340 -3.104 -19.358 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.916 -3.021 -17.632 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.006 -4.598 -18.451 1.00 0.00 H new ATOM 605 N GLY A 54 10.692 -5.917 -17.439 1.00 0.00 N ATOM 606 CA GLY A 54 9.597 -6.355 -16.590 1.00 0.00 C ATOM 607 C GLY A 54 9.475 -7.881 -16.596 1.00 0.00 C ATOM 608 O GLY A 54 9.254 -8.493 -15.552 1.00 0.00 O ATOM 0 H GLY A 54 10.406 -5.529 -18.338 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.759 -6.004 -15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.664 -5.911 -16.936 1.00 0.00 H new ATOM 612 N THR A 55 9.625 -8.450 -17.783 1.00 0.00 N ATOM 613 CA THR A 55 9.535 -9.891 -17.938 1.00 0.00 C ATOM 614 C THR A 55 10.626 -10.586 -17.120 1.00 0.00 C ATOM 615 O THR A 55 10.400 -11.658 -16.561 1.00 0.00 O ATOM 616 CB THR A 55 9.600 -10.211 -19.433 1.00 0.00 C ATOM 617 OG1 THR A 55 10.798 -9.577 -19.872 1.00 0.00 O ATOM 618 CG2 THR A 55 8.496 -9.512 -20.230 1.00 0.00 C ATOM 0 H THR A 55 9.808 -7.939 -18.646 1.00 0.00 H new ATOM 0 HA THR A 55 8.590 -10.271 -17.550 1.00 0.00 H new ATOM 0 HB THR A 55 9.525 -11.289 -19.577 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.129 -8.980 -19.169 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.588 -9.773 -21.284 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.522 -9.832 -19.860 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.591 -8.432 -20.114 1.00 0.00 H new ATOM 626 N TYR A 56 11.785 -9.946 -17.077 1.00 0.00 N ATOM 627 CA TYR A 56 12.912 -10.489 -16.337 1.00 0.00 C ATOM 628 C TYR A 56 12.701 -10.337 -14.829 1.00 0.00 C ATOM 629 O TYR A 56 12.812 -11.309 -14.083 1.00 0.00 O ATOM 630 CB TYR A 56 14.129 -9.662 -16.756 1.00 0.00 C ATOM 631 CG TYR A 56 15.248 -9.631 -15.713 1.00 0.00 C ATOM 632 CD1 TYR A 56 15.225 -8.690 -14.704 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.282 -10.543 -15.783 1.00 0.00 C ATOM 634 CE1 TYR A 56 16.278 -8.661 -13.723 1.00 0.00 C ATOM 635 CE2 TYR A 56 17.335 -10.513 -14.802 1.00 0.00 C ATOM 636 CZ TYR A 56 17.282 -9.573 -13.820 1.00 0.00 C ATOM 637 OH TYR A 56 18.277 -9.545 -12.893 1.00 0.00 O ATOM 0 H TYR A 56 11.968 -9.057 -17.542 1.00 0.00 H new ATOM 0 HA TYR A 56 13.035 -11.551 -16.549 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.526 -10.065 -17.688 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.809 -8.641 -16.961 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.417 -7.975 -14.650 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.301 -11.279 -16.573 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.271 -7.931 -12.927 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.149 -11.221 -14.845 1.00 0.00 H new ATOM 0 HH TYR A 56 18.925 -10.255 -13.087 1.00 0.00 H new ATOM 647 N LEU A 57 12.402 -9.111 -14.426 1.00 0.00 N ATOM 648 CA LEU A 57 12.175 -8.820 -13.021 1.00 0.00 C ATOM 649 C LEU A 57 11.039 -9.702 -12.498 1.00 0.00 C ATOM 650 O LEU A 57 11.176 -10.345 -11.459 1.00 0.00 O ATOM 651 CB LEU A 57 11.935 -7.323 -12.816 1.00 0.00 C ATOM 652 CG LEU A 57 10.942 -6.948 -11.714 1.00 0.00 C ATOM 653 CD1 LEU A 57 9.501 -7.045 -12.219 1.00 0.00 C ATOM 654 CD2 LEU A 57 11.168 -7.794 -10.460 1.00 0.00 C ATOM 0 H LEU A 57 12.312 -8.308 -15.048 1.00 0.00 H new ATOM 0 HA LEU A 57 13.062 -9.061 -12.435 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.891 -6.849 -12.593 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.581 -6.900 -13.756 1.00 0.00 H new ATOM 0 HG LEU A 57 11.117 -5.909 -11.436 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.815 -6.773 -11.417 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.363 -6.365 -13.060 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.296 -8.066 -12.541 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.449 -7.507 -9.693 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.037 -8.848 -10.704 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.180 -7.631 -10.088 1.00 0.00 H new ATOM 666 N TYR A 58 9.944 -9.704 -13.244 1.00 0.00 N ATOM 667 CA TYR A 58 8.785 -10.496 -12.869 1.00 0.00 C ATOM 668 C TYR A 58 9.132 -11.985 -12.818 1.00 0.00 C ATOM 669 O TYR A 58 8.870 -12.654 -11.820 1.00 0.00 O ATOM 670 CB TYR A 58 7.743 -10.264 -13.965 1.00 0.00 C ATOM 671 CG TYR A 58 7.019 -8.920 -13.861 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.600 -8.455 -12.631 1.00 0.00 C ATOM 673 CD2 TYR A 58 6.786 -8.173 -14.998 1.00 0.00 C ATOM 674 CE1 TYR A 58 5.919 -7.190 -12.534 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.105 -6.907 -14.900 1.00 0.00 C ATOM 676 CZ TYR A 58 5.705 -6.479 -13.673 1.00 0.00 C ATOM 677 OH TYR A 58 5.062 -5.284 -13.581 1.00 0.00 O ATOM 0 H TYR A 58 9.835 -9.170 -14.106 1.00 0.00 H new ATOM 0 HA TYR A 58 8.425 -10.206 -11.882 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.233 -10.327 -14.937 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.006 -11.066 -13.927 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.783 -9.040 -11.742 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.114 -8.537 -15.960 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.586 -6.814 -11.578 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.917 -6.312 -15.781 1.00 0.00 H new ATOM 0 HH TYR A 58 4.980 -4.887 -14.473 1.00 0.00 H new ATOM 687 N GLN A 59 9.716 -12.461 -13.908 1.00 0.00 N ATOM 688 CA GLN A 59 10.101 -13.859 -14.001 1.00 0.00 C ATOM 689 C GLN A 59 11.546 -14.043 -13.533 1.00 0.00 C ATOM 690 O GLN A 59 12.484 -13.724 -14.261 1.00 0.00 O ATOM 691 CB GLN A 59 9.915 -14.386 -15.425 1.00 0.00 C ATOM 692 CG GLN A 59 9.631 -15.889 -15.421 1.00 0.00 C ATOM 693 CD GLN A 59 9.572 -16.440 -16.847 1.00 0.00 C ATOM 694 OE1 GLN A 59 8.578 -16.326 -17.544 1.00 0.00 O ATOM 695 NE2 GLN A 59 10.691 -17.043 -17.241 1.00 0.00 N ATOM 0 H GLN A 59 9.932 -11.903 -14.734 1.00 0.00 H new ATOM 0 HA GLN A 59 9.450 -14.439 -13.347 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.092 -13.858 -15.907 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.811 -14.183 -16.011 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.407 -16.408 -14.859 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.686 -16.083 -14.913 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.488 -17.104 -16.607 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.752 -17.444 -18.177 1.00 0.00 H new ATOM 704 N LYS A 60 11.680 -14.558 -12.319 1.00 0.00 N ATOM 705 CA LYS A 60 12.995 -14.788 -11.745 1.00 0.00 C ATOM 706 C LYS A 60 12.950 -16.038 -10.864 1.00 0.00 C ATOM 707 O LYS A 60 12.417 -16.001 -9.755 1.00 0.00 O ATOM 708 CB LYS A 60 13.487 -13.538 -11.014 1.00 0.00 C ATOM 709 CG LYS A 60 14.811 -13.808 -10.296 1.00 0.00 C ATOM 710 CD LYS A 60 15.999 -13.579 -11.232 1.00 0.00 C ATOM 711 CE LYS A 60 16.410 -14.880 -11.923 1.00 0.00 C ATOM 712 NZ LYS A 60 17.005 -14.597 -13.249 1.00 0.00 N ATOM 0 H LYS A 60 10.900 -14.822 -11.718 1.00 0.00 H new ATOM 0 HA LYS A 60 13.726 -14.977 -12.531 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.615 -12.723 -11.726 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.737 -13.216 -10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.897 -13.156 -9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.826 -14.834 -9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.738 -12.832 -11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.841 -13.182 -10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.128 -15.417 -11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.541 -15.528 -12.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.279 -15.491 -13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.309 -14.104 -13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.846 -13.997 -13.131 1.00 0.00 H new ATOM 726 N ASP A 61 13.515 -17.115 -11.389 1.00 0.00 N ATOM 727 CA ASP A 61 13.547 -18.373 -10.664 1.00 0.00 C ATOM 728 C ASP A 61 14.519 -19.331 -11.355 1.00 0.00 C ATOM 729 O ASP A 61 14.964 -19.071 -12.472 1.00 0.00 O ATOM 730 CB ASP A 61 12.166 -19.033 -10.646 1.00 0.00 C ATOM 731 CG ASP A 61 11.121 -18.322 -9.784 1.00 0.00 C ATOM 732 OD1 ASP A 61 11.218 -18.302 -8.548 1.00 0.00 O ATOM 733 OD2 ASP A 61 10.161 -17.763 -10.442 1.00 0.00 O ATOM 0 H ASP A 61 13.955 -17.142 -12.309 1.00 0.00 H new ATOM 0 HA ASP A 61 13.861 -18.165 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.794 -19.090 -11.669 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.274 -20.057 -10.289 1.00 0.00 H new ATOM 739 N ASN A 62 14.821 -20.419 -10.662 1.00 0.00 N ATOM 740 CA ASN A 62 15.733 -21.417 -11.194 1.00 0.00 C ATOM 741 C ASN A 62 14.932 -22.631 -11.670 1.00 0.00 C ATOM 742 O ASN A 62 15.478 -23.526 -12.313 1.00 0.00 O ATOM 743 CB ASN A 62 16.719 -21.890 -10.124 1.00 0.00 C ATOM 744 CG ASN A 62 17.626 -20.745 -9.670 1.00 0.00 C ATOM 745 OD1 ASN A 62 18.645 -20.450 -10.271 1.00 0.00 O ATOM 746 ND2 ASN A 62 17.199 -20.118 -8.577 1.00 0.00 N ATOM 0 H ASN A 62 14.450 -20.631 -9.736 1.00 0.00 H new ATOM 0 HA ASN A 62 16.286 -20.964 -12.017 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.171 -22.286 -9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.326 -22.705 -10.518 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.735 -19.339 -8.194 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.336 -20.416 -8.122 1.00 0.00 H new ATOM 753 N SER A 63 13.651 -22.623 -11.334 1.00 0.00 N ATOM 754 CA SER A 63 12.769 -23.713 -11.718 1.00 0.00 C ATOM 755 C SER A 63 11.562 -23.165 -12.482 1.00 0.00 C ATOM 756 O SER A 63 11.375 -21.952 -12.566 1.00 0.00 O ATOM 757 CB SER A 63 12.308 -24.506 -10.494 1.00 0.00 C ATOM 758 OG SER A 63 11.436 -25.576 -10.848 1.00 0.00 O ATOM 0 H SER A 63 13.202 -21.879 -10.800 1.00 0.00 H new ATOM 0 HA SER A 63 13.324 -24.390 -12.367 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.178 -24.905 -9.972 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.798 -23.838 -9.800 1.00 0.00 H new ATOM 0 HG SER A 63 10.600 -25.497 -10.343 1.00 0.00 H new ATOM 764 N CYS A 64 10.774 -24.085 -13.018 1.00 0.00 N ATOM 765 CA CYS A 64 9.590 -23.709 -13.772 1.00 0.00 C ATOM 766 C CYS A 64 8.388 -23.744 -12.827 1.00 0.00 C ATOM 767 O CYS A 64 7.242 -23.760 -13.274 1.00 0.00 O ATOM 768 CB CYS A 64 9.385 -24.612 -14.990 1.00 0.00 C ATOM 769 SG CYS A 64 10.713 -24.322 -16.215 1.00 0.00 S ATOM 0 H CYS A 64 10.932 -25.090 -12.945 1.00 0.00 H new ATOM 0 HA CYS A 64 9.712 -22.700 -14.166 1.00 0.00 H new ATOM 0 HB2 CYS A 64 9.385 -25.658 -14.682 1.00 0.00 H new ATOM 0 HB3 CYS A 64 8.413 -24.413 -15.441 1.00 0.00 H new ATOM 0 HG CYS A 64 10.531 -25.095 -17.244 1.00 0.00 H new ATOM 775 N ASN A 65 8.690 -23.755 -11.537 1.00 0.00 N ATOM 776 CA ASN A 65 7.648 -23.788 -10.524 1.00 0.00 C ATOM 777 C ASN A 65 7.001 -22.406 -10.419 1.00 0.00 C ATOM 778 O ASN A 65 5.979 -22.243 -9.755 1.00 0.00 O ATOM 779 CB ASN A 65 8.224 -24.147 -9.153 1.00 0.00 C ATOM 780 CG ASN A 65 8.375 -25.661 -9.001 1.00 0.00 C ATOM 781 OD1 ASN A 65 8.945 -26.256 -10.045 1.00 0.00 O flip ATOM 782 ND2 ASN A 65 8.000 -26.252 -8.001 1.00 0.00 N flip ATOM 0 H ASN A 65 9.641 -23.742 -11.170 1.00 0.00 H new ATOM 0 HA ASN A 65 6.917 -24.542 -10.816 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.194 -23.667 -9.025 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.572 -23.762 -8.369 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.570 -25.735 -7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.117 -27.263 -7.932 1.00 0.00 H new ATOM 789 N LEU A 66 7.624 -21.444 -11.084 1.00 0.00 N ATOM 790 CA LEU A 66 7.123 -20.080 -11.074 1.00 0.00 C ATOM 791 C LEU A 66 5.652 -20.079 -11.496 1.00 0.00 C ATOM 792 O LEU A 66 5.290 -20.693 -12.498 1.00 0.00 O ATOM 793 CB LEU A 66 8.009 -19.176 -11.933 1.00 0.00 C ATOM 794 CG LEU A 66 7.821 -19.294 -13.446 1.00 0.00 C ATOM 795 CD1 LEU A 66 6.582 -18.523 -13.906 1.00 0.00 C ATOM 796 CD2 LEU A 66 9.081 -18.852 -14.192 1.00 0.00 C ATOM 0 H LEU A 66 8.472 -21.582 -11.634 1.00 0.00 H new ATOM 0 HA LEU A 66 7.167 -19.666 -10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.826 -18.141 -11.644 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.051 -19.393 -11.698 1.00 0.00 H new ATOM 0 HG LEU A 66 7.656 -20.344 -13.689 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.471 -18.623 -14.986 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.698 -18.926 -13.412 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.693 -17.470 -13.649 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.920 -18.946 -15.266 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.303 -17.813 -13.948 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.920 -19.482 -13.895 1.00 0.00 H new ATOM 808 N PHE A 67 4.844 -19.384 -10.709 1.00 0.00 N ATOM 809 CA PHE A 67 3.421 -19.295 -10.988 1.00 0.00 C ATOM 810 C PHE A 67 3.085 -17.991 -11.715 1.00 0.00 C ATOM 811 O PHE A 67 2.025 -17.872 -12.327 1.00 0.00 O ATOM 812 CB PHE A 67 2.698 -19.315 -9.640 1.00 0.00 C ATOM 813 CG PHE A 67 2.943 -20.584 -8.822 1.00 0.00 C ATOM 814 CD1 PHE A 67 2.357 -21.755 -9.191 1.00 0.00 C ATOM 815 CD2 PHE A 67 3.745 -20.542 -7.725 1.00 0.00 C ATOM 816 CE1 PHE A 67 2.584 -22.933 -8.432 1.00 0.00 C ATOM 817 CE2 PHE A 67 3.972 -21.720 -6.965 1.00 0.00 C ATOM 818 CZ PHE A 67 3.387 -22.891 -7.335 1.00 0.00 C ATOM 0 H PHE A 67 5.148 -18.877 -9.878 1.00 0.00 H new ATOM 0 HA PHE A 67 3.115 -20.124 -11.626 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.016 -18.451 -9.056 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.627 -19.207 -9.812 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.719 -21.788 -10.062 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.210 -19.612 -7.431 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.119 -23.863 -8.726 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.609 -21.686 -6.093 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.560 -23.787 -6.758 1.00 0.00 H new ATOM 828 N ASN A 68 4.008 -17.045 -11.622 1.00 0.00 N ATOM 829 CA ASN A 68 3.823 -15.753 -12.262 1.00 0.00 C ATOM 830 C ASN A 68 3.679 -15.953 -13.772 1.00 0.00 C ATOM 831 O ASN A 68 4.493 -16.637 -14.391 1.00 0.00 O ATOM 832 CB ASN A 68 5.026 -14.840 -12.018 1.00 0.00 C ATOM 833 CG ASN A 68 5.066 -13.701 -13.039 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.858 -13.691 -13.966 1.00 0.00 O ATOM 835 ND2 ASN A 68 4.168 -12.745 -12.817 1.00 0.00 N ATOM 0 H ASN A 68 4.886 -17.147 -11.113 1.00 0.00 H new ATOM 0 HA ASN A 68 2.930 -15.292 -11.840 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.976 -14.428 -11.010 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.946 -15.421 -12.080 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.113 -11.941 -13.443 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.534 -12.816 -12.021 1.00 0.00 H new ATOM 842 N THR A 69 2.638 -15.345 -14.321 1.00 0.00 N ATOM 843 CA THR A 69 2.377 -15.448 -15.746 1.00 0.00 C ATOM 844 C THR A 69 3.046 -14.295 -16.496 1.00 0.00 C ATOM 845 O THR A 69 3.024 -13.154 -16.035 1.00 0.00 O ATOM 846 CB THR A 69 0.861 -15.505 -15.947 1.00 0.00 C ATOM 847 OG1 THR A 69 0.343 -14.669 -14.915 1.00 0.00 O ATOM 848 CG2 THR A 69 0.280 -16.885 -15.635 1.00 0.00 C ATOM 0 H THR A 69 1.965 -14.779 -13.804 1.00 0.00 H new ATOM 0 HA THR A 69 2.809 -16.358 -16.162 1.00 0.00 H new ATOM 0 HB THR A 69 0.621 -15.235 -16.975 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.635 -14.647 -14.972 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.798 -16.870 -15.794 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.733 -17.628 -16.292 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.490 -17.142 -14.597 1.00 0.00 H new ATOM 856 N LEU A 70 3.626 -14.631 -17.639 1.00 0.00 N ATOM 857 CA LEU A 70 4.301 -13.637 -18.456 1.00 0.00 C ATOM 858 C LEU A 70 3.267 -12.660 -19.020 1.00 0.00 C ATOM 859 O LEU A 70 3.487 -11.450 -19.019 1.00 0.00 O ATOM 860 CB LEU A 70 5.155 -14.316 -19.529 1.00 0.00 C ATOM 861 CG LEU A 70 6.352 -13.513 -20.041 1.00 0.00 C ATOM 862 CD1 LEU A 70 5.925 -12.109 -20.475 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.472 -13.475 -19.000 1.00 0.00 C ATOM 0 H LEU A 70 3.642 -15.578 -18.019 1.00 0.00 H new ATOM 0 HA LEU A 70 4.995 -13.054 -17.851 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.521 -15.261 -19.129 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.514 -14.556 -20.377 1.00 0.00 H new ATOM 0 HG LEU A 70 6.749 -14.016 -20.923 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.795 -11.559 -20.835 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.187 -12.184 -21.274 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.489 -11.583 -19.626 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.311 -12.898 -19.389 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.104 -13.009 -18.086 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.801 -14.491 -18.782 1.00 0.00 H new ATOM 875 N THR A 71 2.162 -13.222 -19.488 1.00 0.00 N ATOM 876 CA THR A 71 1.095 -12.415 -20.053 1.00 0.00 C ATOM 877 C THR A 71 0.684 -11.312 -19.075 1.00 0.00 C ATOM 878 O THR A 71 0.300 -10.220 -19.491 1.00 0.00 O ATOM 879 CB THR A 71 -0.055 -13.351 -20.432 1.00 0.00 C ATOM 880 OG1 THR A 71 0.574 -14.390 -21.176 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.025 -12.713 -21.429 1.00 0.00 C ATOM 0 H THR A 71 1.983 -14.226 -19.487 1.00 0.00 H new ATOM 0 HA THR A 71 1.425 -11.899 -20.955 1.00 0.00 H new ATOM 0 HB THR A 71 -0.598 -13.641 -19.533 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.100 -15.043 -21.460 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.822 -13.419 -21.664 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.456 -11.812 -20.992 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.489 -12.453 -22.342 1.00 0.00 H new ATOM 889 N GLU A 72 0.778 -11.637 -17.794 1.00 0.00 N ATOM 890 CA GLU A 72 0.422 -10.688 -16.754 1.00 0.00 C ATOM 891 C GLU A 72 1.487 -9.595 -16.644 1.00 0.00 C ATOM 892 O GLU A 72 1.179 -8.455 -16.299 1.00 0.00 O ATOM 893 CB GLU A 72 0.221 -11.395 -15.412 1.00 0.00 C ATOM 894 CG GLU A 72 -1.228 -11.856 -15.246 1.00 0.00 C ATOM 895 CD GLU A 72 -2.193 -10.671 -15.328 1.00 0.00 C ATOM 896 OE1 GLU A 72 -1.788 -9.524 -15.093 1.00 0.00 O ATOM 897 OE2 GLU A 72 -3.405 -10.976 -15.651 1.00 0.00 O ATOM 0 H GLU A 72 1.096 -12.544 -17.453 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.524 -10.219 -17.026 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.889 -12.254 -15.346 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.487 -10.720 -14.598 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.473 -12.583 -16.020 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.346 -12.360 -14.287 1.00 0.00 H new ATOM 905 N ALA A 73 2.719 -9.982 -16.943 1.00 0.00 N ATOM 906 CA ALA A 73 3.831 -9.049 -16.882 1.00 0.00 C ATOM 907 C ALA A 73 3.690 -8.019 -18.004 1.00 0.00 C ATOM 908 O ALA A 73 3.750 -6.815 -17.758 1.00 0.00 O ATOM 909 CB ALA A 73 5.150 -9.822 -16.963 1.00 0.00 C ATOM 0 H ALA A 73 2.971 -10.928 -17.228 1.00 0.00 H new ATOM 0 HA ALA A 73 3.826 -8.508 -15.936 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.985 -9.123 -16.917 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.215 -10.520 -16.128 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.191 -10.375 -17.902 1.00 0.00 H new ATOM 915 N ARG A 74 3.504 -8.529 -19.213 1.00 0.00 N ATOM 916 CA ARG A 74 3.354 -7.668 -20.373 1.00 0.00 C ATOM 917 C ARG A 74 2.055 -6.865 -20.273 1.00 0.00 C ATOM 918 O ARG A 74 1.987 -5.728 -20.739 1.00 0.00 O ATOM 919 CB ARG A 74 3.341 -8.485 -21.667 1.00 0.00 C ATOM 920 CG ARG A 74 2.111 -9.392 -21.731 1.00 0.00 C ATOM 921 CD ARG A 74 2.148 -10.279 -22.978 1.00 0.00 C ATOM 922 NE ARG A 74 3.336 -11.161 -22.936 1.00 0.00 N ATOM 923 CZ ARG A 74 4.548 -10.810 -23.386 1.00 0.00 C ATOM 924 NH1 ARG A 74 4.741 -9.594 -23.915 1.00 0.00 N ATOM 925 NH2 ARG A 74 5.568 -11.676 -23.307 1.00 0.00 N ATOM 0 H ARG A 74 3.454 -9.528 -19.414 1.00 0.00 H new ATOM 0 HA ARG A 74 4.206 -6.988 -20.394 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.347 -7.813 -22.525 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.246 -9.089 -21.729 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.068 -10.016 -20.838 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.206 -8.784 -21.740 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.240 -10.880 -23.034 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.176 -9.660 -23.874 1.00 0.00 H new ATOM 0 HE ARG A 74 3.225 -12.094 -22.540 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.965 -8.935 -23.975 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.664 -9.327 -24.257 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.421 -12.602 -22.904 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.491 -11.409 -23.649 1.00 0.00 H new ATOM 939 N ASP A 75 1.058 -7.487 -19.662 1.00 0.00 N ATOM 940 CA ASP A 75 -0.235 -6.844 -19.495 1.00 0.00 C ATOM 941 C ASP A 75 -0.142 -5.806 -18.375 1.00 0.00 C ATOM 942 O ASP A 75 -0.832 -4.788 -18.408 1.00 0.00 O ATOM 943 CB ASP A 75 -1.310 -7.861 -19.110 1.00 0.00 C ATOM 944 CG ASP A 75 -2.674 -7.260 -18.762 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.059 -7.191 -17.585 1.00 0.00 O ATOM 946 OD2 ASP A 75 -3.361 -6.847 -19.772 1.00 0.00 O ATOM 0 H ASP A 75 1.119 -8.429 -19.276 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.504 -6.377 -20.442 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.438 -8.562 -19.935 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.955 -8.437 -18.255 1.00 0.00 H new ATOM 952 N ALA A 76 0.716 -6.100 -17.409 1.00 0.00 N ATOM 953 CA ALA A 76 0.908 -5.205 -16.280 1.00 0.00 C ATOM 954 C ALA A 76 1.580 -3.918 -16.764 1.00 0.00 C ATOM 955 O ALA A 76 1.168 -2.821 -16.391 1.00 0.00 O ATOM 956 CB ALA A 76 1.721 -5.916 -15.197 1.00 0.00 C ATOM 0 H ALA A 76 1.286 -6.945 -17.385 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.051 -4.931 -15.840 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.865 -5.245 -14.350 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.187 -6.807 -14.867 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.692 -6.204 -15.601 1.00 0.00 H new ATOM 962 N ILE A 77 2.603 -4.096 -17.587 1.00 0.00 N ATOM 963 CA ILE A 77 3.336 -2.963 -18.125 1.00 0.00 C ATOM 964 C ILE A 77 2.490 -2.279 -19.202 1.00 0.00 C ATOM 965 O ILE A 77 2.466 -1.052 -19.290 1.00 0.00 O ATOM 966 CB ILE A 77 4.717 -3.402 -18.615 1.00 0.00 C ATOM 967 CG1 ILE A 77 5.406 -4.296 -17.582 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.576 -2.192 -18.990 1.00 0.00 C ATOM 969 CD1 ILE A 77 6.479 -5.167 -18.240 1.00 0.00 C ATOM 0 H ILE A 77 2.941 -5.008 -17.894 1.00 0.00 H new ATOM 0 HA ILE A 77 3.520 -2.224 -17.346 1.00 0.00 H new ATOM 0 HB ILE A 77 4.586 -3.996 -19.519 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.859 -3.679 -16.806 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.666 -4.930 -17.094 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.552 -2.532 -19.335 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.086 -1.630 -19.785 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.702 -1.551 -18.117 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.953 -5.793 -17.484 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.019 -5.800 -18.999 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.230 -4.529 -18.706 1.00 0.00 H new ATOM 981 N LYS A 78 1.818 -3.102 -19.992 1.00 0.00 N ATOM 982 CA LYS A 78 0.973 -2.592 -21.059 1.00 0.00 C ATOM 983 C LYS A 78 -0.261 -1.922 -20.451 1.00 0.00 C ATOM 984 O LYS A 78 -0.823 -0.999 -21.038 1.00 0.00 O ATOM 985 CB LYS A 78 0.641 -3.703 -22.057 1.00 0.00 C ATOM 986 CG LYS A 78 -0.032 -3.133 -23.307 1.00 0.00 C ATOM 987 CD LYS A 78 1.006 -2.589 -24.290 1.00 0.00 C ATOM 988 CE LYS A 78 0.333 -2.028 -25.544 1.00 0.00 C ATOM 989 NZ LYS A 78 0.078 -3.108 -26.523 1.00 0.00 N ATOM 0 H LYS A 78 1.841 -4.119 -19.915 1.00 0.00 H new ATOM 0 HA LYS A 78 1.501 -1.829 -21.631 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.553 -4.229 -22.338 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.016 -4.435 -21.587 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.624 -3.909 -23.791 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.721 -2.337 -23.023 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.594 -1.808 -23.808 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.699 -3.383 -24.569 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.606 -1.544 -25.274 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.967 -1.264 -25.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.379 -2.710 -27.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.979 -3.551 -26.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.545 -3.823 -26.097 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.646 -2.414 -19.282 1.00 0.00 N ATOM 1004 CA ASP A 79 -1.803 -1.875 -18.588 1.00 0.00 C ATOM 1005 C ASP A 79 -1.468 -0.480 -18.055 1.00 0.00 C ATOM 1006 O ASP A 79 -2.214 0.471 -18.282 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.191 -2.755 -17.399 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.169 -3.886 -17.723 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -3.244 -4.357 -18.868 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -3.884 -4.291 -16.729 1.00 0.00 O ATOM 0 H ASP A 79 -0.177 -3.180 -18.798 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.633 -1.837 -19.294 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.285 -3.189 -16.976 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.632 -2.124 -16.628 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.345 -0.403 -17.356 1.00 0.00 N ATOM 1017 CA ALA A 80 0.097 0.860 -16.789 1.00 0.00 C ATOM 1018 C ALA A 80 0.405 1.843 -17.920 1.00 0.00 C ATOM 1019 O ALA A 80 -0.063 2.980 -17.903 1.00 0.00 O ATOM 1020 CB ALA A 80 1.306 0.616 -15.883 1.00 0.00 C ATOM 0 H ALA A 80 0.272 -1.194 -17.169 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.688 1.301 -16.175 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.638 1.563 -15.457 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.027 -0.065 -15.079 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.115 0.177 -16.466 1.00 0.00 H new ATOM 1026 N TYR A 81 1.189 1.368 -18.876 1.00 0.00 N ATOM 1027 CA TYR A 81 1.565 2.191 -20.013 1.00 0.00 C ATOM 1028 C TYR A 81 0.329 2.644 -20.794 1.00 0.00 C ATOM 1029 O TYR A 81 0.212 3.815 -21.152 1.00 0.00 O ATOM 1030 CB TYR A 81 2.423 1.300 -20.914 1.00 0.00 C ATOM 1031 CG TYR A 81 3.885 1.198 -20.475 1.00 0.00 C ATOM 1032 CD1 TYR A 81 4.193 0.903 -19.162 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.896 1.400 -21.392 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.569 0.806 -18.750 1.00 0.00 C ATOM 1035 CE2 TYR A 81 6.273 1.304 -20.980 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.541 1.011 -19.679 1.00 0.00 C ATOM 1037 OH TYR A 81 7.841 0.920 -19.289 1.00 0.00 O ATOM 0 H TYR A 81 1.574 0.424 -18.887 1.00 0.00 H new ATOM 0 HA TYR A 81 2.095 3.084 -19.681 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.990 0.300 -20.937 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.386 1.687 -21.932 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.402 0.745 -18.444 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.655 1.630 -22.419 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.824 0.576 -17.726 1.00 0.00 H new ATOM 0 HE2 TYR A 81 7.074 1.461 -21.687 1.00 0.00 H new ATOM 0 HH TYR A 81 8.292 1.775 -19.452 1.00 0.00 H new ATOM 1047 N GLU A 82 -0.562 1.693 -21.034 1.00 0.00 N ATOM 1048 CA GLU A 82 -1.784 1.980 -21.765 1.00 0.00 C ATOM 1049 C GLU A 82 -2.767 2.746 -20.877 1.00 0.00 C ATOM 1050 O GLU A 82 -3.637 3.457 -21.377 1.00 0.00 O ATOM 1051 CB GLU A 82 -2.417 0.695 -22.301 1.00 0.00 C ATOM 1052 CG GLU A 82 -3.587 1.008 -23.236 1.00 0.00 C ATOM 1053 CD GLU A 82 -3.086 1.424 -24.621 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -3.312 2.568 -25.044 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -2.439 0.512 -25.264 1.00 0.00 O ATOM 0 H GLU A 82 -0.462 0.723 -20.735 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.533 2.607 -22.621 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.667 0.111 -22.834 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.765 0.083 -21.469 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.230 0.132 -23.326 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.194 1.807 -22.810 1.00 0.00 H new ATOM 1063 N SER A 83 -2.595 2.574 -19.574 1.00 0.00 N ATOM 1064 CA SER A 83 -3.456 3.240 -18.611 1.00 0.00 C ATOM 1065 C SER A 83 -3.030 4.700 -18.451 1.00 0.00 C ATOM 1066 O SER A 83 -3.836 5.548 -18.072 1.00 0.00 O ATOM 1067 CB SER A 83 -3.425 2.526 -17.258 1.00 0.00 C ATOM 1068 OG SER A 83 -3.999 3.319 -16.223 1.00 0.00 O ATOM 0 H SER A 83 -1.872 1.983 -19.163 1.00 0.00 H new ATOM 0 HA SER A 83 -4.479 3.206 -18.986 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.965 1.582 -17.334 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.394 2.283 -17.000 1.00 0.00 H new ATOM 0 HG SER A 83 -3.962 2.828 -15.376 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.763 4.950 -18.748 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.220 6.293 -18.641 1.00 0.00 C ATOM 1076 C TYR A 84 -0.866 6.853 -20.020 1.00 0.00 C ATOM 1077 O TYR A 84 -0.501 8.021 -20.146 1.00 0.00 O ATOM 1078 CB TYR A 84 0.060 6.167 -17.812 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.183 5.826 -16.340 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -1.006 6.625 -15.574 1.00 0.00 C ATOM 1081 CD2 TYR A 84 0.420 4.718 -15.780 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -1.235 6.305 -14.189 1.00 0.00 C ATOM 1083 CE2 TYR A 84 0.191 4.398 -14.395 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.625 5.206 -13.668 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.841 4.903 -12.359 1.00 0.00 O ATOM 0 H TYR A 84 -1.097 4.245 -19.063 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.948 6.965 -18.187 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.692 5.396 -18.253 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.613 7.105 -17.871 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.479 7.491 -16.013 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.063 4.091 -16.380 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.876 6.923 -13.578 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.657 3.535 -13.944 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.343 4.092 -12.124 1.00 0.00 H new ATOM 1095 N CYS A 85 -0.987 5.993 -21.021 1.00 0.00 N ATOM 1096 CA CYS A 85 -0.685 6.387 -22.387 1.00 0.00 C ATOM 1097 C CYS A 85 -1.388 7.716 -22.670 1.00 0.00 C ATOM 1098 O CYS A 85 -2.522 7.926 -22.243 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.086 5.303 -23.390 1.00 0.00 C ATOM 1100 SG CYS A 85 -2.909 5.166 -23.467 1.00 0.00 S ATOM 0 H CYS A 85 -1.290 5.025 -20.913 1.00 0.00 H new ATOM 0 HA CYS A 85 0.391 6.515 -22.502 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.689 5.544 -24.376 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -0.653 4.347 -23.097 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.342 4.540 -22.413 1.00 0.00 H new ATOM 1106 N GLY A 86 -0.686 8.579 -23.390 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.229 9.881 -23.736 1.00 0.00 C ATOM 1108 C GLY A 86 -0.653 10.973 -22.831 1.00 0.00 C ATOM 1109 O GLY A 86 -0.625 12.144 -23.206 1.00 0.00 O ATOM 0 H GLY A 86 0.254 8.402 -23.743 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.001 10.109 -24.777 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.315 9.862 -23.644 1.00 0.00 H new ATOM 1113 N ILE A 87 -0.209 10.550 -21.657 1.00 0.00 N ATOM 1114 CA ILE A 87 0.364 11.477 -20.696 1.00 0.00 C ATOM 1115 C ILE A 87 1.871 11.587 -20.936 1.00 0.00 C ATOM 1116 O ILE A 87 2.553 10.576 -21.095 1.00 0.00 O ATOM 1117 CB ILE A 87 -0.003 11.064 -19.269 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -1.511 11.180 -19.035 1.00 0.00 C ATOM 1119 CG2 ILE A 87 0.799 11.866 -18.242 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -2.211 9.847 -19.306 1.00 0.00 C ATOM 0 H ILE A 87 -0.234 9.578 -21.349 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.054 12.474 -20.832 1.00 0.00 H new ATOM 0 HB ILE A 87 0.264 10.015 -19.138 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.700 11.492 -18.008 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.925 11.951 -19.684 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.519 11.553 -17.236 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.864 11.689 -18.394 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.587 12.928 -18.363 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.282 9.956 -19.132 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.040 9.550 -20.341 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.811 9.084 -18.638 1.00 0.00 H new ATOM 1132 N ASP A 88 2.346 12.823 -20.954 1.00 0.00 N ATOM 1133 CA ASP A 88 3.760 13.079 -21.172 1.00 0.00 C ATOM 1134 C ASP A 88 4.354 13.732 -19.923 1.00 0.00 C ATOM 1135 O ASP A 88 5.482 13.429 -19.536 1.00 0.00 O ATOM 1136 CB ASP A 88 3.973 14.031 -22.351 1.00 0.00 C ATOM 1137 CG ASP A 88 3.921 15.519 -21.997 1.00 0.00 C ATOM 1138 OD1 ASP A 88 2.857 16.059 -21.662 1.00 0.00 O ATOM 1139 OD2 ASP A 88 5.050 16.138 -22.079 1.00 0.00 O ATOM 0 H ASP A 88 1.777 13.659 -20.821 1.00 0.00 H new ATOM 0 HA ASP A 88 4.246 12.127 -21.386 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.940 13.814 -22.804 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.214 13.826 -23.106 1.00 0.00 H new ATOM 1145 N ASP A 89 3.569 14.617 -19.327 1.00 0.00 N ATOM 1146 CA ASP A 89 4.003 15.316 -18.129 1.00 0.00 C ATOM 1147 C ASP A 89 2.785 15.635 -17.260 1.00 0.00 C ATOM 1148 O ASP A 89 1.735 16.017 -17.773 1.00 0.00 O ATOM 1149 CB ASP A 89 4.691 16.637 -18.481 1.00 0.00 C ATOM 1150 CG ASP A 89 3.743 17.804 -18.766 1.00 0.00 C ATOM 1151 OD1 ASP A 89 3.473 18.636 -17.888 1.00 0.00 O ATOM 1152 OD2 ASP A 89 3.268 17.840 -19.965 1.00 0.00 O ATOM 0 H ASP A 89 2.635 14.866 -19.651 1.00 0.00 H new ATOM 0 HA ASP A 89 4.706 14.673 -17.599 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.350 16.916 -17.659 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.322 16.479 -19.356 1.00 0.00 H new ATOM 1158 N CYS A 90 2.967 15.466 -15.958 1.00 0.00 N ATOM 1159 CA CYS A 90 1.896 15.730 -15.013 1.00 0.00 C ATOM 1160 C CYS A 90 1.607 17.233 -15.022 1.00 0.00 C ATOM 1161 O CYS A 90 2.530 18.046 -15.056 1.00 0.00 O ATOM 1162 CB CYS A 90 2.241 15.224 -13.611 1.00 0.00 C ATOM 1163 SG CYS A 90 2.775 16.620 -12.555 1.00 0.00 S ATOM 0 H CYS A 90 3.840 15.150 -15.536 1.00 0.00 H new ATOM 0 HA CYS A 90 1.000 15.187 -15.314 1.00 0.00 H new ATOM 0 HB2 CYS A 90 1.374 14.734 -13.169 1.00 0.00 H new ATOM 0 HB3 CYS A 90 3.033 14.478 -13.670 1.00 0.00 H new ATOM 1168 N PRO A 91 0.289 17.565 -14.989 1.00 0.00 N ATOM 1169 CA PRO A 91 -0.132 18.956 -14.993 1.00 0.00 C ATOM 1170 C PRO A 91 0.100 19.603 -13.626 1.00 0.00 C ATOM 1171 O PRO A 91 0.203 20.825 -13.523 1.00 0.00 O ATOM 1172 CB PRO A 91 -1.599 18.922 -15.392 1.00 0.00 C ATOM 1173 CG PRO A 91 -2.065 17.496 -15.144 1.00 0.00 C ATOM 1174 CD PRO A 91 -0.831 16.630 -14.948 1.00 0.00 C ATOM 0 HA PRO A 91 0.443 19.567 -15.689 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.181 19.631 -14.803 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.726 19.198 -16.439 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.706 17.452 -14.264 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.655 17.135 -15.987 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -0.868 16.098 -13.997 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -0.747 15.877 -15.732 1.00 0.00 H new ATOM 1182 N GLN A 92 0.176 18.756 -12.611 1.00 0.00 N ATOM 1183 CA GLN A 92 0.395 19.230 -11.255 1.00 0.00 C ATOM 1184 C GLN A 92 1.688 20.045 -11.180 1.00 0.00 C ATOM 1185 O GLN A 92 1.856 20.867 -10.280 1.00 0.00 O ATOM 1186 CB GLN A 92 0.424 18.064 -10.264 1.00 0.00 C ATOM 1187 CG GLN A 92 -0.959 17.828 -9.654 1.00 0.00 C ATOM 1188 CD GLN A 92 -1.134 16.365 -9.241 1.00 0.00 C ATOM 1189 OE1 GLN A 92 -0.183 15.612 -9.113 1.00 0.00 O ATOM 1190 NE2 GLN A 92 -2.399 16.007 -9.041 1.00 0.00 N ATOM 0 H GLN A 92 0.090 17.744 -12.700 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.437 19.878 -10.979 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.761 17.160 -10.771 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.144 18.273 -9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.092 18.473 -8.786 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.730 18.101 -10.375 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.148 16.688 -9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.621 15.051 -8.763 1.00 0.00 H new ATOM 1199 N CYS A 93 2.567 19.790 -12.137 1.00 0.00 N ATOM 1200 CA CYS A 93 3.840 20.490 -12.190 1.00 0.00 C ATOM 1201 C CYS A 93 3.589 21.901 -12.725 1.00 0.00 C ATOM 1202 O CYS A 93 4.233 22.856 -12.293 1.00 0.00 O ATOM 1203 CB CYS A 93 4.867 19.733 -13.035 1.00 0.00 C ATOM 1204 SG CYS A 93 5.927 18.703 -11.957 1.00 0.00 S ATOM 0 H CYS A 93 2.424 19.109 -12.882 1.00 0.00 H new ATOM 0 HA CYS A 93 4.266 20.552 -11.189 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.357 19.105 -13.765 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.481 20.439 -13.595 1.00 0.00 H new ATOM 1209 N SER A 94 2.652 21.988 -13.658 1.00 0.00 N ATOM 1210 CA SER A 94 2.309 23.267 -14.256 1.00 0.00 C ATOM 1211 C SER A 94 1.312 24.011 -13.365 1.00 0.00 C ATOM 1212 O SER A 94 1.119 25.216 -13.515 1.00 0.00 O ATOM 1213 CB SER A 94 1.729 23.080 -15.660 1.00 0.00 C ATOM 1214 OG SER A 94 0.385 22.608 -15.624 1.00 0.00 O ATOM 0 H SER A 94 2.120 21.194 -14.014 1.00 0.00 H new ATOM 0 HA SER A 94 3.220 23.859 -14.344 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.766 24.028 -16.197 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.346 22.374 -16.216 1.00 0.00 H new ATOM 0 HG SER A 94 0.286 21.957 -14.898 1.00 0.00 H new ATOM 1220 N LYS A 95 0.705 23.261 -12.457 1.00 0.00 N ATOM 1221 CA LYS A 95 -0.267 23.834 -11.542 1.00 0.00 C ATOM 1222 C LYS A 95 0.453 24.339 -10.289 1.00 0.00 C ATOM 1223 O LYS A 95 0.033 25.321 -9.681 1.00 0.00 O ATOM 1224 CB LYS A 95 -1.383 22.830 -11.247 1.00 0.00 C ATOM 1225 CG LYS A 95 -2.019 23.101 -9.882 1.00 0.00 C ATOM 1226 CD LYS A 95 -1.247 22.391 -8.767 1.00 0.00 C ATOM 1227 CE LYS A 95 -2.145 22.140 -7.554 1.00 0.00 C ATOM 1228 NZ LYS A 95 -3.369 21.412 -7.956 1.00 0.00 N ATOM 0 H LYS A 95 0.868 22.261 -12.336 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.757 24.695 -11.998 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.144 22.889 -12.025 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.981 21.817 -11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.036 24.174 -9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.055 22.761 -9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.856 21.443 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.390 22.996 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.602 21.564 -6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.415 23.089 -7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.698 20.822 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.111 22.095 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.160 20.807 -8.775 1.00 0.00 H new ATOM 1242 N TYR A 96 1.526 23.643 -9.942 1.00 0.00 N ATOM 1243 CA TYR A 96 2.308 24.007 -8.774 1.00 0.00 C ATOM 1244 C TYR A 96 3.793 24.130 -9.124 1.00 0.00 C ATOM 1245 O TYR A 96 4.347 23.268 -9.804 1.00 0.00 O ATOM 1246 CB TYR A 96 2.126 22.866 -7.771 1.00 0.00 C ATOM 1247 CG TYR A 96 3.259 22.749 -6.749 1.00 0.00 C ATOM 1248 CD1 TYR A 96 3.437 23.734 -5.800 1.00 0.00 C ATOM 1249 CD2 TYR A 96 4.103 21.657 -6.777 1.00 0.00 C ATOM 1250 CE1 TYR A 96 4.503 23.623 -4.838 1.00 0.00 C ATOM 1251 CE2 TYR A 96 5.169 21.546 -5.816 1.00 0.00 C ATOM 1252 CZ TYR A 96 5.316 22.535 -4.894 1.00 0.00 C ATOM 1253 OH TYR A 96 6.323 22.430 -3.986 1.00 0.00 O ATOM 0 H TYR A 96 1.872 22.829 -10.450 1.00 0.00 H new ATOM 0 HA TYR A 96 1.980 24.968 -8.378 1.00 0.00 H new ATOM 0 HB2 TYR A 96 1.185 23.009 -7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.044 21.926 -8.317 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.777 24.589 -5.778 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.964 20.886 -7.520 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.653 24.387 -4.089 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.837 20.697 -5.827 1.00 0.00 H new ATOM 0 HH TYR A 96 6.822 21.602 -4.145 1.00 0.00 H new ATOM 1263 N ILE A 97 4.394 25.209 -8.644 1.00 0.00 N ATOM 1264 CA ILE A 97 5.803 25.455 -8.898 1.00 0.00 C ATOM 1265 C ILE A 97 6.641 24.405 -8.164 1.00 0.00 C ATOM 1266 O ILE A 97 6.157 23.757 -7.237 1.00 0.00 O ATOM 1267 CB ILE A 97 6.169 26.896 -8.536 1.00 0.00 C ATOM 1268 CG1 ILE A 97 6.213 27.085 -7.018 1.00 0.00 C ATOM 1269 CG2 ILE A 97 5.220 27.889 -9.210 1.00 0.00 C ATOM 1270 CD1 ILE A 97 7.593 26.728 -6.461 1.00 0.00 C ATOM 0 H ILE A 97 3.931 25.922 -8.081 1.00 0.00 H new ATOM 0 HA ILE A 97 6.022 25.352 -9.961 1.00 0.00 H new ATOM 0 HB ILE A 97 7.170 27.100 -8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.973 28.119 -6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.454 26.460 -6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.502 28.905 -8.936 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.282 27.774 -10.292 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.198 27.696 -8.883 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.597 26.871 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 97 7.820 25.687 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.346 27.372 -6.915 1.00 0.00 H new ATOM 1282 N ASP A 98 7.882 24.270 -8.607 1.00 0.00 N ATOM 1283 CA ASP A 98 8.791 23.309 -8.005 1.00 0.00 C ATOM 1284 C ASP A 98 9.655 24.018 -6.960 1.00 0.00 C ATOM 1285 O ASP A 98 10.607 24.716 -7.306 1.00 0.00 O ATOM 1286 CB ASP A 98 9.723 22.700 -9.054 1.00 0.00 C ATOM 1287 CG ASP A 98 10.880 21.873 -8.488 1.00 0.00 C ATOM 1288 OD1 ASP A 98 11.023 21.728 -7.265 1.00 0.00 O ATOM 1289 OD2 ASP A 98 11.665 21.359 -9.373 1.00 0.00 O ATOM 0 H ASP A 98 8.280 24.810 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 98 8.194 22.518 -7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.134 22.067 -9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.135 23.504 -9.663 1.00 0.00 H new ATOM 1295 N ASP A 99 9.292 23.814 -5.702 1.00 0.00 N ATOM 1296 CA ASP A 99 10.022 24.425 -4.604 1.00 0.00 C ATOM 1297 C ASP A 99 11.514 24.129 -4.762 1.00 0.00 C ATOM 1298 O ASP A 99 12.355 24.967 -4.440 1.00 0.00 O ATOM 1299 CB ASP A 99 9.568 23.858 -3.257 1.00 0.00 C ATOM 1300 CG ASP A 99 10.018 22.424 -2.975 1.00 0.00 C ATOM 1301 OD1 ASP A 99 10.639 21.770 -3.826 1.00 0.00 O ATOM 1302 OD2 ASP A 99 9.704 21.974 -1.807 1.00 0.00 O ATOM 0 H ASP A 99 8.502 23.234 -5.419 1.00 0.00 H new ATOM 0 HA ASP A 99 9.830 25.498 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.943 24.503 -2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 99 8.480 23.897 -3.212 1.00 0.00 H new TER 1308 ASP A 99 HETATM 1309 ZN ZN A 100 5.116 16.386 -11.764 1.00 0.00 ZN