USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 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 18 GLN : amide:sc= 1.4 X(o=2.4,f=2) USER MOD Set 1.2: A 50 TYR OH : rot -80:sc= 1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.6) USER MOD Single : A 3 HIS : no HE2:sc= 0.00792 X(o=0.0079,f=-0.099) USER MOD Single : A 5 TYR OH : rot -30:sc= -5.03! USER MOD Single : A 11 THR OG1 : rot 40:sc= -1.21 USER MOD Single : A 23 ASN : amide:sc= -1.39 K(o=-1.4,f=0.096) USER MOD Single : A 26 TYR OH : rot -171:sc= 0.52 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= 0.619 (180deg=0.224) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 100:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.95! C(o=-2!,f=-1.2!) USER MOD Single : A 41 TYR OH : rot 13:sc= -0.25 USER MOD Single : A 47 HIS : no HD1:sc= -3.52 K(o=-3.5,f=-4.5!) USER MOD Single : A 49 ASN : amide:sc= -2.28! C(o=-2.3!,f=-7.4!) USER MOD Single : A 54 THR OG1 : rot -37:sc= 0.783 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.659 K(o=-0.66,f=-0.042) USER MOD Single : A 69 HIS : no HE2:sc= 0.0485 K(o=0.049,f=-2.7!) USER MOD Single : A 70 HIS : no HD1:sc= -5.22! C(o=-5.2!,f=-8.5!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00888) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.367 -7.666 -14.139 1.00 0.00 N ATOM 2 CA MET A 1 -5.651 -8.260 -12.980 1.00 0.00 C ATOM 3 C MET A 1 -4.830 -7.208 -12.242 1.00 0.00 C ATOM 4 O MET A 1 -3.625 -7.081 -12.462 1.00 0.00 O ATOM 5 CB MET A 1 -4.741 -9.378 -13.492 1.00 0.00 C ATOM 6 CG MET A 1 -5.416 -10.740 -13.534 1.00 0.00 C ATOM 7 SD MET A 1 -4.247 -12.100 -13.343 1.00 0.00 S ATOM 8 CE MET A 1 -5.252 -13.485 -13.872 1.00 0.00 C ATOM 0 H1 MET A 1 -6.917 -8.404 -14.622 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.009 -6.919 -13.805 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.677 -7.259 -14.802 1.00 0.00 H new ATOM 0 HA MET A 1 -6.379 -8.661 -12.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.394 -9.123 -14.493 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.859 -9.438 -12.854 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.164 -10.795 -12.743 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.944 -10.850 -14.481 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.668 -14.403 -13.811 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.126 -13.568 -13.227 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.574 -13.328 -14.901 1.00 0.00 H new ATOM 20 N GLN A 2 -5.488 -6.459 -11.366 1.00 0.00 N ATOM 21 CA GLN A 2 -4.820 -5.418 -10.594 1.00 0.00 C ATOM 22 C GLN A 2 -4.221 -4.359 -11.514 1.00 0.00 C ATOM 23 O GLN A 2 -3.953 -4.620 -12.687 1.00 0.00 O ATOM 24 CB GLN A 2 -3.724 -6.028 -9.718 1.00 0.00 C ATOM 25 CG GLN A 2 -4.201 -7.197 -8.873 1.00 0.00 C ATOM 26 CD GLN A 2 -4.065 -8.526 -9.588 1.00 0.00 C ATOM 27 OE1 GLN A 2 -5.030 -9.284 -9.705 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.864 -8.818 -10.073 1.00 0.00 N ATOM 0 H GLN A 2 -6.485 -6.553 -11.172 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.563 -4.941 -9.955 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.905 -6.361 -10.355 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.323 -5.256 -9.062 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.629 -7.227 -7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.244 -7.041 -8.599 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.092 -8.162 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.713 -9.699 -10.565 1.00 0.00 H new ATOM 37 N HIS A 3 -4.012 -3.162 -10.972 1.00 0.00 N ATOM 38 CA HIS A 3 -3.445 -2.063 -11.744 1.00 0.00 C ATOM 39 C HIS A 3 -2.268 -1.428 -11.001 1.00 0.00 C ATOM 40 O HIS A 3 -2.463 -0.696 -10.034 1.00 0.00 O ATOM 41 CB HIS A 3 -4.514 -1.005 -12.026 1.00 0.00 C ATOM 42 CG HIS A 3 -5.809 -1.578 -12.510 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.994 -1.452 -11.816 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.104 -2.284 -13.628 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.961 -2.057 -12.485 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.447 -2.568 -13.588 1.00 0.00 N ATOM 0 H HIS A 3 -4.227 -2.930 -10.002 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.083 -2.465 -12.690 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.697 -0.433 -11.116 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.134 -0.306 -12.771 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -7.107 -0.968 -10.925 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.412 -2.570 -14.406 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.995 -2.122 -12.181 1.00 0.00 H new ATOM 55 N PRO A 4 -1.027 -1.707 -11.442 1.00 0.00 N ATOM 56 CA PRO A 4 0.184 -1.160 -10.812 1.00 0.00 C ATOM 57 C PRO A 4 0.151 0.359 -10.686 1.00 0.00 C ATOM 58 O PRO A 4 -0.649 1.029 -11.339 1.00 0.00 O ATOM 59 CB PRO A 4 1.302 -1.582 -11.770 1.00 0.00 C ATOM 60 CG PRO A 4 0.777 -2.798 -12.447 1.00 0.00 C ATOM 61 CD PRO A 4 -0.703 -2.579 -12.588 1.00 0.00 C ATOM 0 HA PRO A 4 0.305 -1.526 -9.792 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.527 -0.794 -12.489 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.226 -1.795 -11.232 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.247 -2.937 -13.421 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.986 -3.693 -11.861 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.951 -2.104 -13.537 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.254 -3.518 -12.548 1.00 0.00 H new ATOM 69 N TYR A 5 1.039 0.899 -9.855 1.00 0.00 N ATOM 70 CA TYR A 5 1.122 2.343 -9.660 1.00 0.00 C ATOM 71 C TYR A 5 2.557 2.771 -9.405 1.00 0.00 C ATOM 72 O TYR A 5 3.019 3.769 -9.960 1.00 0.00 O ATOM 73 CB TYR A 5 0.229 2.805 -8.507 1.00 0.00 C ATOM 74 CG TYR A 5 -1.190 3.082 -8.939 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.066 2.041 -9.197 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.647 4.382 -9.106 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.362 2.284 -9.611 1.00 0.00 C ATOM 78 CE2 TYR A 5 -2.940 4.636 -9.520 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.794 3.583 -9.771 1.00 0.00 C ATOM 80 OH TYR A 5 -5.083 3.830 -10.184 1.00 0.00 O ATOM 0 H TYR A 5 1.709 0.360 -9.307 1.00 0.00 H new ATOM 0 HA TYR A 5 0.768 2.815 -10.577 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.224 2.041 -7.729 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.652 3.707 -8.065 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.731 1.022 -9.073 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.980 5.209 -8.909 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.033 1.461 -9.808 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.280 5.653 -9.646 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.391 3.094 -10.754 1.00 0.00 H new ATOM 90 N VAL A 6 3.265 2.014 -8.573 1.00 0.00 N ATOM 91 CA VAL A 6 4.649 2.331 -8.270 1.00 0.00 C ATOM 92 C VAL A 6 4.773 3.707 -7.621 1.00 0.00 C ATOM 93 O VAL A 6 4.245 4.696 -8.126 1.00 0.00 O ATOM 94 CB VAL A 6 5.501 2.299 -9.545 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.983 2.395 -9.212 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.203 1.044 -10.345 1.00 0.00 C ATOM 0 H VAL A 6 2.904 1.184 -8.102 1.00 0.00 H new ATOM 0 HA VAL A 6 5.009 1.577 -7.570 1.00 0.00 H new ATOM 0 HB VAL A 6 5.242 3.165 -10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.565 2.370 -10.133 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.178 3.329 -8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.269 1.555 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.814 1.034 -11.247 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.432 0.165 -9.742 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.149 1.030 -10.621 1.00 0.00 H new ATOM 106 N GLY A 7 5.470 3.762 -6.493 1.00 0.00 N ATOM 107 CA GLY A 7 5.644 5.018 -5.792 1.00 0.00 C ATOM 108 C GLY A 7 5.969 4.821 -4.326 1.00 0.00 C ATOM 109 O GLY A 7 5.493 3.872 -3.708 1.00 0.00 O ATOM 0 H GLY A 7 5.918 2.959 -6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.444 5.587 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.734 5.611 -5.883 1.00 0.00 H new ATOM 113 N ILE A 8 6.770 5.720 -3.764 1.00 0.00 N ATOM 114 CA ILE A 8 7.128 5.624 -2.355 1.00 0.00 C ATOM 115 C ILE A 8 6.180 6.460 -1.517 1.00 0.00 C ATOM 116 O ILE A 8 6.341 7.671 -1.380 1.00 0.00 O ATOM 117 CB ILE A 8 8.589 6.048 -2.102 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.520 5.071 -2.832 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.884 6.094 -0.603 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.570 4.417 -1.956 1.00 0.00 C ATOM 0 H ILE A 8 7.179 6.514 -4.256 1.00 0.00 H new ATOM 0 HA ILE A 8 7.038 4.578 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 8 8.757 7.052 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.915 4.291 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.022 5.604 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.920 6.395 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.220 6.813 -0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.723 5.107 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.180 3.744 -2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.205 5.185 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.081 3.851 -1.163 1.00 0.00 H new ATOM 132 N TRP A 9 5.183 5.792 -0.970 1.00 0.00 N ATOM 133 CA TRP A 9 4.173 6.446 -0.153 1.00 0.00 C ATOM 134 C TRP A 9 4.604 6.477 1.308 1.00 0.00 C ATOM 135 O TRP A 9 4.622 5.450 1.987 1.00 0.00 O ATOM 136 CB TRP A 9 2.833 5.729 -0.320 1.00 0.00 C ATOM 137 CG TRP A 9 2.443 5.555 -1.763 1.00 0.00 C ATOM 138 CD1 TRP A 9 3.005 4.701 -2.668 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.416 6.263 -2.470 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.395 4.830 -3.895 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.413 5.785 -3.797 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.497 7.253 -2.112 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.530 6.264 -4.760 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.379 7.728 -3.070 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.358 7.234 -4.380 1.00 0.00 C ATOM 0 H TRP A 9 5.048 4.787 -1.077 1.00 0.00 H new ATOM 0 HA TRP A 9 4.057 7.478 -0.484 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.887 4.751 0.158 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.057 6.294 0.196 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.815 4.020 -2.451 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.633 4.304 -4.736 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.472 7.640 -1.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.545 5.884 -5.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.092 8.494 -2.803 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.056 7.626 -5.105 1.00 0.00 H new ATOM 156 N VAL A 10 4.967 7.666 1.775 1.00 0.00 N ATOM 157 CA VAL A 10 5.422 7.848 3.149 1.00 0.00 C ATOM 158 C VAL A 10 4.449 8.707 3.950 1.00 0.00 C ATOM 159 O VAL A 10 3.702 9.509 3.390 1.00 0.00 O ATOM 160 CB VAL A 10 6.826 8.492 3.182 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.240 8.849 4.602 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.852 7.567 2.546 1.00 0.00 C ATOM 0 H VAL A 10 4.955 8.522 1.220 1.00 0.00 H new ATOM 0 HA VAL A 10 5.470 6.860 3.606 1.00 0.00 H new ATOM 0 HB VAL A 10 6.782 9.416 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.232 9.300 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.525 9.557 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.259 7.947 5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.835 8.037 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.882 6.625 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.575 7.375 1.509 1.00 0.00 H new ATOM 172 N THR A 11 4.467 8.527 5.266 1.00 0.00 N ATOM 173 CA THR A 11 3.593 9.278 6.159 1.00 0.00 C ATOM 174 C THR A 11 3.965 10.759 6.181 1.00 0.00 C ATOM 175 O THR A 11 4.933 11.175 5.544 1.00 0.00 O ATOM 176 CB THR A 11 3.663 8.698 7.571 1.00 0.00 C ATOM 177 OG1 THR A 11 4.933 8.112 7.810 1.00 0.00 O ATOM 178 CG2 THR A 11 2.610 7.644 7.834 1.00 0.00 C ATOM 0 H THR A 11 5.081 7.864 5.740 1.00 0.00 H new ATOM 0 HA THR A 11 2.573 9.192 5.785 1.00 0.00 H new ATOM 0 HB THR A 11 3.486 9.539 8.241 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.632 8.673 7.413 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.714 7.272 8.853 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.619 8.080 7.706 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.737 6.819 7.133 1.00 0.00 H new ATOM 186 N ALA A 12 3.186 11.550 6.915 1.00 0.00 N ATOM 187 CA ALA A 12 3.431 12.986 7.018 1.00 0.00 C ATOM 188 C ALA A 12 4.577 13.289 7.980 1.00 0.00 C ATOM 189 O ALA A 12 5.167 14.369 7.931 1.00 0.00 O ATOM 190 CB ALA A 12 2.165 13.710 7.456 1.00 0.00 C ATOM 0 H ALA A 12 2.380 11.221 7.447 1.00 0.00 H new ATOM 0 HA ALA A 12 3.720 13.346 6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.364 14.779 7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.375 13.536 6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.849 13.333 8.429 1.00 0.00 H new ATOM 196 N ASP A 13 4.889 12.337 8.855 1.00 0.00 N ATOM 197 CA ASP A 13 5.966 12.516 9.820 1.00 0.00 C ATOM 198 C ASP A 13 7.220 11.766 9.385 1.00 0.00 C ATOM 199 O ASP A 13 8.333 12.124 9.768 1.00 0.00 O ATOM 200 CB ASP A 13 5.524 12.035 11.203 1.00 0.00 C ATOM 201 CG ASP A 13 4.932 13.150 12.043 1.00 0.00 C ATOM 202 OD1 ASP A 13 5.688 14.063 12.435 1.00 0.00 O ATOM 203 OD2 ASP A 13 3.712 13.110 12.307 1.00 0.00 O ATOM 0 H ASP A 13 4.412 11.437 8.915 1.00 0.00 H new ATOM 0 HA ASP A 13 6.201 13.579 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.787 11.240 11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.379 11.606 11.725 1.00 0.00 H new ATOM 208 N GLY A 14 7.032 10.720 8.586 1.00 0.00 N ATOM 209 CA GLY A 14 8.158 9.936 8.120 1.00 0.00 C ATOM 210 C GLY A 14 8.494 8.801 9.063 1.00 0.00 C ATOM 211 O GLY A 14 9.624 8.313 9.080 1.00 0.00 O ATOM 0 H GLY A 14 6.121 10.403 8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.933 9.532 7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.028 10.583 8.009 1.00 0.00 H new ATOM 215 N ARG A 15 7.508 8.372 9.848 1.00 0.00 N ATOM 216 CA ARG A 15 7.715 7.273 10.791 1.00 0.00 C ATOM 217 C ARG A 15 7.723 5.942 10.051 1.00 0.00 C ATOM 218 O ARG A 15 8.354 4.980 10.489 1.00 0.00 O ATOM 219 CB ARG A 15 6.651 7.254 11.905 1.00 0.00 C ATOM 220 CG ARG A 15 5.460 8.174 11.677 1.00 0.00 C ATOM 221 CD ARG A 15 4.571 7.671 10.552 1.00 0.00 C ATOM 222 NE ARG A 15 3.376 6.997 11.054 1.00 0.00 N ATOM 223 CZ ARG A 15 2.297 7.635 11.499 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.256 8.962 11.507 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.253 6.944 11.935 1.00 0.00 N ATOM 0 H ARG A 15 6.566 8.764 9.851 1.00 0.00 H new ATOM 0 HA ARG A 15 8.682 7.431 11.268 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.285 6.234 12.019 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.128 7.529 12.846 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.878 8.250 12.595 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.815 9.177 11.440 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.276 8.510 9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.137 6.984 9.923 1.00 0.00 H new ATOM 0 HE ARG A 15 3.369 5.977 11.064 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.055 9.499 11.170 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.425 9.445 11.850 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.278 5.924 11.929 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.425 7.432 12.277 1.00 0.00 H new ATOM 239 N ILE A 16 7.028 5.897 8.918 1.00 0.00 N ATOM 240 CA ILE A 16 6.970 4.686 8.108 1.00 0.00 C ATOM 241 C ILE A 16 6.998 5.037 6.626 1.00 0.00 C ATOM 242 O ILE A 16 6.610 6.135 6.230 1.00 0.00 O ATOM 243 CB ILE A 16 5.720 3.821 8.433 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.585 4.055 7.426 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.232 4.090 9.845 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.614 3.092 6.261 1.00 0.00 C ATOM 0 H ILE A 16 6.499 6.683 8.541 1.00 0.00 H new ATOM 0 HA ILE A 16 7.850 4.091 8.354 1.00 0.00 H new ATOM 0 HB ILE A 16 6.022 2.777 8.356 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.628 3.965 7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.649 5.075 7.047 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.357 3.474 10.051 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.022 3.847 10.556 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.966 5.143 9.944 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.786 3.311 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.557 3.198 5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.520 2.071 6.631 1.00 0.00 H new ATOM 258 N ARG A 17 7.460 4.099 5.814 1.00 0.00 N ATOM 259 CA ARG A 17 7.543 4.313 4.376 1.00 0.00 C ATOM 260 C ARG A 17 7.071 3.076 3.618 1.00 0.00 C ATOM 261 O ARG A 17 7.475 1.955 3.930 1.00 0.00 O ATOM 262 CB ARG A 17 8.985 4.686 3.994 1.00 0.00 C ATOM 263 CG ARG A 17 9.546 3.945 2.787 1.00 0.00 C ATOM 264 CD ARG A 17 11.049 4.133 2.680 1.00 0.00 C ATOM 265 NE ARG A 17 11.780 3.203 3.537 1.00 0.00 N ATOM 266 CZ ARG A 17 13.102 3.052 3.510 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.842 3.767 2.670 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.686 2.185 4.325 1.00 0.00 N ATOM 0 H ARG A 17 7.783 3.183 6.125 1.00 0.00 H new ATOM 0 HA ARG A 17 6.885 5.136 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.026 5.757 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.632 4.496 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.314 2.883 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.065 4.307 1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.359 3.992 1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.307 5.156 2.953 1.00 0.00 H new ATOM 0 HE ARG A 17 11.246 2.636 4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.397 4.436 2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.855 3.647 2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.122 1.634 4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.699 2.069 4.305 1.00 0.00 H new ATOM 282 N GLN A 18 6.215 3.286 2.623 1.00 0.00 N ATOM 283 CA GLN A 18 5.691 2.187 1.823 1.00 0.00 C ATOM 284 C GLN A 18 6.019 2.384 0.348 1.00 0.00 C ATOM 285 O GLN A 18 5.535 3.319 -0.287 1.00 0.00 O ATOM 286 CB GLN A 18 4.180 2.061 2.022 1.00 0.00 C ATOM 287 CG GLN A 18 3.598 0.774 1.464 1.00 0.00 C ATOM 288 CD GLN A 18 2.133 0.907 1.097 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.788 1.525 0.089 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.263 0.328 1.915 1.00 0.00 N ATOM 0 H GLN A 18 5.870 4.207 2.352 1.00 0.00 H new ATOM 0 HA GLN A 18 6.167 1.264 2.155 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.956 2.119 3.087 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.687 2.909 1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.164 0.476 0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.713 -0.022 2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.594 -0.174 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.263 0.385 1.720 1.00 0.00 H new ATOM 299 N GLU A 19 6.853 1.496 -0.191 1.00 0.00 N ATOM 300 CA GLU A 19 7.249 1.581 -1.591 1.00 0.00 C ATOM 301 C GLU A 19 6.353 0.737 -2.474 1.00 0.00 C ATOM 302 O GLU A 19 6.176 -0.459 -2.240 1.00 0.00 O ATOM 303 CB GLU A 19 8.696 1.116 -1.779 1.00 0.00 C ATOM 304 CG GLU A 19 9.160 1.132 -3.227 1.00 0.00 C ATOM 305 CD GLU A 19 10.609 0.715 -3.380 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.460 1.238 -2.629 1.00 0.00 O ATOM 307 OE2 GLU A 19 10.894 -0.134 -4.251 1.00 0.00 O ATOM 0 H GLU A 19 7.264 0.714 0.319 1.00 0.00 H new ATOM 0 HA GLU A 19 7.156 2.628 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.353 1.755 -1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.797 0.105 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.530 0.464 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.029 2.134 -3.635 1.00 0.00 H new ATOM 314 N LEU A 20 5.833 1.352 -3.521 1.00 0.00 N ATOM 315 CA LEU A 20 5.008 0.639 -4.472 1.00 0.00 C ATOM 316 C LEU A 20 5.913 0.156 -5.593 1.00 0.00 C ATOM 317 O LEU A 20 6.532 0.947 -6.303 1.00 0.00 O ATOM 318 CB LEU A 20 3.860 1.517 -4.983 1.00 0.00 C ATOM 319 CG LEU A 20 2.725 1.749 -3.977 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.451 2.169 -4.686 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.470 0.509 -3.133 1.00 0.00 C ATOM 0 H LEU A 20 5.968 2.341 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 20 4.530 -0.218 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.266 2.484 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.443 1.058 -5.879 1.00 0.00 H new ATOM 0 HG LEU A 20 3.038 2.555 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.661 2.327 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.628 3.094 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.147 1.387 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.660 0.707 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.193 -0.322 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.374 0.252 -2.581 1.00 0.00 H new ATOM 333 N LEU A 21 6.047 -1.154 -5.681 1.00 0.00 N ATOM 334 CA LEU A 21 6.939 -1.784 -6.637 1.00 0.00 C ATOM 335 C LEU A 21 6.518 -1.592 -8.088 1.00 0.00 C ATOM 336 O LEU A 21 5.356 -1.322 -8.385 1.00 0.00 O ATOM 337 CB LEU A 21 7.065 -3.268 -6.304 1.00 0.00 C ATOM 338 CG LEU A 21 8.309 -3.665 -5.481 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.136 -2.444 -5.079 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.897 -4.442 -4.240 1.00 0.00 C ATOM 0 H LEU A 21 5.539 -1.813 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 21 7.907 -1.291 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.175 -3.575 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.074 -3.832 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 21 8.931 -4.298 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.003 -2.766 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.471 -1.921 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.525 -1.774 -4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.785 -4.715 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.246 -3.823 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.364 -5.346 -4.537 1.00 0.00 H new ATOM 352 N PRO A 22 7.497 -1.736 -9.006 1.00 0.00 N ATOM 353 CA PRO A 22 7.285 -1.581 -10.451 1.00 0.00 C ATOM 354 C PRO A 22 6.324 -2.614 -11.022 1.00 0.00 C ATOM 355 O PRO A 22 5.774 -2.426 -12.107 1.00 0.00 O ATOM 356 CB PRO A 22 8.686 -1.766 -11.052 1.00 0.00 C ATOM 357 CG PRO A 22 9.628 -1.570 -9.914 1.00 0.00 C ATOM 358 CD PRO A 22 8.900 -2.064 -8.700 1.00 0.00 C ATOM 0 HA PRO A 22 6.832 -0.617 -10.683 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.799 -2.758 -11.490 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.872 -1.043 -11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.553 -2.126 -10.070 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.901 -0.520 -9.807 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.042 -3.134 -8.551 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.243 -1.567 -7.792 1.00 0.00 H new ATOM 366 N ASN A 23 6.118 -3.705 -10.291 1.00 0.00 N ATOM 367 CA ASN A 23 5.211 -4.752 -10.747 1.00 0.00 C ATOM 368 C ASN A 23 3.819 -4.554 -10.159 1.00 0.00 C ATOM 369 O ASN A 23 3.027 -5.495 -10.084 1.00 0.00 O ATOM 370 CB ASN A 23 5.739 -6.143 -10.378 1.00 0.00 C ATOM 371 CG ASN A 23 7.245 -6.174 -10.166 1.00 0.00 C ATOM 372 OD1 ASN A 23 7.995 -6.580 -11.052 1.00 0.00 O ATOM 373 ND2 ASN A 23 7.695 -5.745 -8.991 1.00 0.00 N ATOM 0 H ASN A 23 6.561 -3.886 -9.390 1.00 0.00 H new ATOM 0 HA ASN A 23 5.150 -4.683 -11.833 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.243 -6.484 -9.469 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.475 -6.846 -11.168 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.697 -5.745 -8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.039 -5.416 -8.283 1.00 0.00 H new ATOM 380 N GLY A 24 3.526 -3.329 -9.731 1.00 0.00 N ATOM 381 CA GLY A 24 2.233 -3.042 -9.145 1.00 0.00 C ATOM 382 C GLY A 24 2.079 -3.707 -7.800 1.00 0.00 C ATOM 383 O GLY A 24 1.100 -4.410 -7.550 1.00 0.00 O ATOM 0 H GLY A 24 4.161 -2.533 -9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.112 -1.964 -9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.444 -3.385 -9.815 1.00 0.00 H new ATOM 387 N ARG A 25 3.063 -3.492 -6.939 1.00 0.00 N ATOM 388 CA ARG A 25 3.053 -4.088 -5.609 1.00 0.00 C ATOM 389 C ARG A 25 3.491 -3.082 -4.561 1.00 0.00 C ATOM 390 O ARG A 25 3.763 -1.927 -4.883 1.00 0.00 O ATOM 391 CB ARG A 25 3.948 -5.321 -5.586 1.00 0.00 C ATOM 392 CG ARG A 25 3.551 -6.343 -6.631 1.00 0.00 C ATOM 393 CD ARG A 25 2.217 -6.994 -6.288 1.00 0.00 C ATOM 394 NE ARG A 25 1.901 -8.104 -7.184 1.00 0.00 N ATOM 395 CZ ARG A 25 1.306 -7.962 -8.367 1.00 0.00 C ATOM 396 NH1 ARG A 25 0.961 -6.758 -8.805 1.00 0.00 N ATOM 397 NH2 ARG A 25 1.057 -9.027 -9.115 1.00 0.00 N ATOM 0 H ARG A 25 3.878 -2.911 -7.136 1.00 0.00 H new ATOM 0 HA ARG A 25 2.034 -4.391 -5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.982 -5.019 -5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.904 -5.780 -4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.483 -5.862 -7.607 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.323 -7.109 -6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.244 -7.355 -5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.425 -6.247 -6.343 1.00 0.00 H new ATOM 0 HE ARG A 25 2.152 -9.046 -6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.151 -5.934 -8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.506 -6.656 -9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.321 -9.955 -8.785 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.601 -8.919 -10.021 1.00 0.00 H new ATOM 411 N TYR A 26 3.528 -3.506 -3.302 1.00 0.00 N ATOM 412 CA TYR A 26 3.904 -2.606 -2.221 1.00 0.00 C ATOM 413 C TYR A 26 4.858 -3.257 -1.224 1.00 0.00 C ATOM 414 O TYR A 26 4.854 -4.472 -1.032 1.00 0.00 O ATOM 415 CB TYR A 26 2.638 -2.091 -1.527 1.00 0.00 C ATOM 416 CG TYR A 26 2.223 -2.858 -0.297 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.943 -2.757 0.881 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.101 -3.670 -0.320 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.555 -3.449 2.013 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.706 -4.368 0.803 1.00 0.00 C ATOM 421 CZ TYR A 26 1.436 -4.255 1.968 1.00 0.00 C ATOM 422 OH TYR A 26 1.046 -4.947 3.091 1.00 0.00 O ATOM 0 H TYR A 26 3.305 -4.457 -3.008 1.00 0.00 H new ATOM 0 HA TYR A 26 4.448 -1.766 -2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.793 -1.048 -1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.816 -2.112 -2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.821 -2.128 0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.527 -3.758 -1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.124 -3.359 2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.170 -4.999 0.770 1.00 0.00 H new ATOM 0 HH TYR A 26 0.330 -5.574 2.857 1.00 0.00 H new ATOM 432 N ASP A 27 5.668 -2.414 -0.589 1.00 0.00 N ATOM 433 CA ASP A 27 6.641 -2.852 0.405 1.00 0.00 C ATOM 434 C ASP A 27 6.873 -1.734 1.414 1.00 0.00 C ATOM 435 O ASP A 27 7.443 -0.697 1.075 1.00 0.00 O ATOM 436 CB ASP A 27 7.961 -3.227 -0.272 1.00 0.00 C ATOM 437 CG ASP A 27 8.232 -4.719 -0.224 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.714 -5.443 -1.100 1.00 0.00 O ATOM 439 OD2 ASP A 27 8.961 -5.161 0.688 1.00 0.00 O ATOM 0 H ASP A 27 5.667 -1.407 -0.750 1.00 0.00 H new ATOM 0 HA ASP A 27 6.254 -3.731 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.940 -2.898 -1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.779 -2.696 0.214 1.00 0.00 H new ATOM 444 N GLU A 28 6.415 -1.932 2.644 1.00 0.00 N ATOM 445 CA GLU A 28 6.567 -0.910 3.669 1.00 0.00 C ATOM 446 C GLU A 28 7.688 -1.241 4.647 1.00 0.00 C ATOM 447 O GLU A 28 7.792 -2.362 5.145 1.00 0.00 O ATOM 448 CB GLU A 28 5.233 -0.697 4.404 1.00 0.00 C ATOM 449 CG GLU A 28 5.369 -0.365 5.885 1.00 0.00 C ATOM 450 CD GLU A 28 4.038 -0.383 6.611 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.342 0.655 6.599 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.690 -1.433 7.188 1.00 0.00 O ATOM 0 H GLU A 28 5.941 -2.781 2.953 1.00 0.00 H new ATOM 0 HA GLU A 28 6.848 0.020 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.688 0.109 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.629 -1.599 4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.044 -1.081 6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.824 0.620 5.993 1.00 0.00 H new ATOM 459 N ALA A 29 8.511 -0.235 4.925 1.00 0.00 N ATOM 460 CA ALA A 29 9.620 -0.376 5.854 1.00 0.00 C ATOM 461 C ALA A 29 9.462 0.607 7.005 1.00 0.00 C ATOM 462 O ALA A 29 9.676 1.809 6.843 1.00 0.00 O ATOM 463 CB ALA A 29 10.942 -0.144 5.136 1.00 0.00 C ATOM 0 H ALA A 29 8.427 0.695 4.514 1.00 0.00 H new ATOM 0 HA ALA A 29 9.618 -1.389 6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.764 -0.253 5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.054 -0.874 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.956 0.861 4.715 1.00 0.00 H new ATOM 469 N ARG A 30 9.070 0.095 8.165 1.00 0.00 N ATOM 470 CA ARG A 30 8.866 0.934 9.338 1.00 0.00 C ATOM 471 C ARG A 30 10.027 0.813 10.321 1.00 0.00 C ATOM 472 O ARG A 30 10.223 -0.230 10.943 1.00 0.00 O ATOM 473 CB ARG A 30 7.553 0.561 10.027 1.00 0.00 C ATOM 474 CG ARG A 30 6.409 0.317 9.053 1.00 0.00 C ATOM 475 CD ARG A 30 5.060 0.644 9.678 1.00 0.00 C ATOM 476 NE ARG A 30 4.280 -0.560 9.958 1.00 0.00 N ATOM 477 CZ ARG A 30 4.465 -1.332 11.026 1.00 0.00 C ATOM 478 NH1 ARG A 30 5.400 -1.032 11.919 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.711 -2.410 11.202 1.00 0.00 N ATOM 0 H ARG A 30 8.887 -0.897 8.318 1.00 0.00 H new ATOM 0 HA ARG A 30 8.817 1.971 9.004 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.708 -0.336 10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.272 1.359 10.714 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.554 0.926 8.161 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.419 -0.725 8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.214 1.199 10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.497 1.293 9.007 1.00 0.00 H new ATOM 0 HE ARG A 30 3.551 -0.824 9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.983 -0.205 11.789 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.536 -1.629 12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.991 -2.646 10.519 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.852 -3.003 12.020 1.00 0.00 H new ATOM 493 N GLY A 31 10.790 1.895 10.457 1.00 0.00 N ATOM 494 CA GLY A 31 11.922 1.902 11.368 1.00 0.00 C ATOM 495 C GLY A 31 12.879 0.751 11.128 1.00 0.00 C ATOM 496 O GLY A 31 13.008 0.264 10.005 1.00 0.00 O ATOM 0 H GLY A 31 10.644 2.769 9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.461 2.844 11.263 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.557 1.856 12.394 1.00 0.00 H new ATOM 500 N ASN A 32 13.551 0.316 12.190 1.00 0.00 N ATOM 501 CA ASN A 32 14.502 -0.786 12.096 1.00 0.00 C ATOM 502 C ASN A 32 13.828 -2.053 11.574 1.00 0.00 C ATOM 503 O ASN A 32 14.494 -2.958 11.073 1.00 0.00 O ATOM 504 CB ASN A 32 15.132 -1.058 13.463 1.00 0.00 C ATOM 505 CG ASN A 32 16.107 0.027 13.877 1.00 0.00 C ATOM 506 OD1 ASN A 32 17.144 0.220 13.243 1.00 0.00 O ATOM 507 ND2 ASN A 32 15.777 0.743 14.946 1.00 0.00 N ATOM 0 H ASN A 32 13.454 0.710 13.126 1.00 0.00 H new ATOM 0 HA ASN A 32 15.282 -0.498 11.391 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.345 -1.141 14.213 1.00 0.00 H new ATOM 0 HB3 ASN A 32 15.649 -2.017 13.437 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.394 1.487 15.271 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.907 0.548 15.441 1.00 0.00 H new ATOM 514 N ARG A 33 12.504 -2.111 11.691 1.00 0.00 N ATOM 515 CA ARG A 33 11.749 -3.269 11.224 1.00 0.00 C ATOM 516 C ARG A 33 11.252 -3.051 9.799 1.00 0.00 C ATOM 517 O ARG A 33 10.075 -2.760 9.578 1.00 0.00 O ATOM 518 CB ARG A 33 10.566 -3.551 12.159 1.00 0.00 C ATOM 519 CG ARG A 33 9.675 -4.695 11.694 1.00 0.00 C ATOM 520 CD ARG A 33 10.465 -5.980 11.505 1.00 0.00 C ATOM 521 NE ARG A 33 9.888 -7.092 12.256 1.00 0.00 N ATOM 522 CZ ARG A 33 10.068 -7.278 13.561 1.00 0.00 C ATOM 523 NH1 ARG A 33 10.811 -6.431 14.264 1.00 0.00 N ATOM 524 NH2 ARG A 33 9.505 -8.315 14.168 1.00 0.00 N ATOM 0 H ARG A 33 11.934 -1.373 12.104 1.00 0.00 H new ATOM 0 HA ARG A 33 12.414 -4.133 11.230 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.948 -3.781 13.154 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.963 -2.647 12.250 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.882 -4.859 12.424 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.193 -4.423 10.755 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.495 -6.235 10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.495 -5.823 11.824 1.00 0.00 H new ATOM 0 HE ARG A 33 9.313 -7.766 11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.248 -5.632 13.804 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.945 -6.579 15.264 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.934 -8.970 13.634 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.643 -8.457 15.169 1.00 0.00 H new ATOM 538 N LYS A 34 12.154 -3.194 8.834 1.00 0.00 N ATOM 539 CA LYS A 34 11.801 -3.016 7.429 1.00 0.00 C ATOM 540 C LYS A 34 11.093 -4.255 6.897 1.00 0.00 C ATOM 541 O LYS A 34 11.054 -5.291 7.559 1.00 0.00 O ATOM 542 CB LYS A 34 13.044 -2.716 6.587 1.00 0.00 C ATOM 543 CG LYS A 34 14.262 -3.538 6.971 1.00 0.00 C ATOM 544 CD LYS A 34 15.175 -2.762 7.905 1.00 0.00 C ATOM 545 CE LYS A 34 16.140 -3.681 8.637 1.00 0.00 C ATOM 546 NZ LYS A 34 15.425 -4.727 9.418 1.00 0.00 N ATOM 0 H LYS A 34 13.132 -3.432 8.997 1.00 0.00 H new ATOM 0 HA LYS A 34 11.124 -2.165 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.812 -2.897 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.288 -1.658 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.943 -4.462 7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.811 -3.821 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.738 -2.023 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.573 -2.214 8.630 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.805 -4.157 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.765 -3.091 9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.078 -5.155 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.624 -4.297 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.072 -5.462 8.772 1.00 0.00 H new ATOM 560 N SER A 35 10.527 -4.145 5.697 1.00 0.00 N ATOM 561 CA SER A 35 9.815 -5.262 5.087 1.00 0.00 C ATOM 562 C SER A 35 8.773 -5.827 6.049 1.00 0.00 C ATOM 563 O SER A 35 8.465 -7.018 6.016 1.00 0.00 O ATOM 564 CB SER A 35 10.799 -6.361 4.678 1.00 0.00 C ATOM 565 OG SER A 35 12.037 -5.809 4.268 1.00 0.00 O ATOM 0 H SER A 35 10.548 -3.297 5.131 1.00 0.00 H new ATOM 0 HA SER A 35 9.304 -4.895 4.197 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.959 -7.040 5.515 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.373 -6.951 3.866 1.00 0.00 H new ATOM 0 HG SER A 35 12.649 -6.531 4.013 1.00 0.00 H new ATOM 571 N ALA A 36 8.238 -4.962 6.908 1.00 0.00 N ATOM 572 CA ALA A 36 7.235 -5.371 7.882 1.00 0.00 C ATOM 573 C ALA A 36 6.058 -6.064 7.203 1.00 0.00 C ATOM 574 O ALA A 36 5.563 -7.085 7.682 1.00 0.00 O ATOM 575 CB ALA A 36 6.754 -4.160 8.666 1.00 0.00 C ATOM 0 H ALA A 36 8.484 -3.973 6.947 1.00 0.00 H new ATOM 0 HA ALA A 36 7.693 -6.084 8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.004 -4.472 9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.597 -3.705 9.186 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.316 -3.434 7.981 1.00 0.00 H new ATOM 581 N TYR A 37 5.619 -5.500 6.086 1.00 0.00 N ATOM 582 CA TYR A 37 4.502 -6.051 5.334 1.00 0.00 C ATOM 583 C TYR A 37 4.579 -5.670 3.858 1.00 0.00 C ATOM 584 O TYR A 37 4.950 -4.549 3.510 1.00 0.00 O ATOM 585 CB TYR A 37 3.177 -5.563 5.923 1.00 0.00 C ATOM 586 CG TYR A 37 2.344 -6.672 6.511 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.636 -7.189 7.763 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.270 -7.205 5.811 1.00 0.00 C ATOM 589 CE1 TYR A 37 1.881 -8.209 8.308 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.508 -8.226 6.347 1.00 0.00 C ATOM 591 CZ TYR A 37 0.818 -8.725 7.595 1.00 0.00 C ATOM 592 OH TYR A 37 0.062 -9.741 8.135 1.00 0.00 O ATOM 0 H TYR A 37 6.023 -4.656 5.679 1.00 0.00 H new ATOM 0 HA TYR A 37 4.557 -7.137 5.409 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.382 -4.822 6.696 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.604 -5.061 5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.468 -6.787 8.322 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.026 -6.816 4.833 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.121 -8.600 9.286 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.325 -8.631 5.792 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.762 -9.370 8.513 1.00 0.00 H new ATOM 602 N GLN A 38 4.211 -6.614 2.999 1.00 0.00 N ATOM 603 CA GLN A 38 4.218 -6.396 1.555 1.00 0.00 C ATOM 604 C GLN A 38 3.175 -7.287 0.895 1.00 0.00 C ATOM 605 O GLN A 38 2.879 -8.375 1.389 1.00 0.00 O ATOM 606 CB GLN A 38 5.598 -6.680 0.950 1.00 0.00 C ATOM 607 CG GLN A 38 6.703 -6.905 1.974 1.00 0.00 C ATOM 608 CD GLN A 38 6.537 -8.204 2.738 1.00 0.00 C ATOM 609 OE1 GLN A 38 6.421 -9.277 2.145 1.00 0.00 O ATOM 610 NE2 GLN A 38 6.522 -8.114 4.064 1.00 0.00 N ATOM 0 H GLN A 38 3.902 -7.545 3.279 1.00 0.00 H new ATOM 0 HA GLN A 38 3.979 -5.348 1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.527 -7.561 0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.879 -5.844 0.309 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.668 -6.907 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.715 -6.073 2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.621 -7.204 4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.411 -8.955 4.631 1.00 0.00 H new ATOM 619 N GLY A 39 2.617 -6.828 -0.218 1.00 0.00 N ATOM 620 CA GLY A 39 1.613 -7.619 -0.903 1.00 0.00 C ATOM 621 C GLY A 39 1.248 -7.066 -2.261 1.00 0.00 C ATOM 622 O GLY A 39 2.109 -6.903 -3.126 1.00 0.00 O ATOM 0 H GLY A 39 2.838 -5.933 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.980 -8.639 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.716 -7.671 -0.285 1.00 0.00 H new ATOM 626 N ARG A 40 -0.033 -6.776 -2.448 1.00 0.00 N ATOM 627 CA ARG A 40 -0.519 -6.239 -3.706 1.00 0.00 C ATOM 628 C ARG A 40 -1.783 -5.432 -3.463 1.00 0.00 C ATOM 629 O ARG A 40 -2.395 -5.536 -2.401 1.00 0.00 O ATOM 630 CB ARG A 40 -0.791 -7.370 -4.701 1.00 0.00 C ATOM 631 CG ARG A 40 -1.961 -8.263 -4.317 1.00 0.00 C ATOM 632 CD ARG A 40 -1.490 -9.532 -3.627 1.00 0.00 C ATOM 633 NE ARG A 40 -0.490 -10.245 -4.417 1.00 0.00 N ATOM 634 CZ ARG A 40 -0.770 -10.931 -5.525 1.00 0.00 C ATOM 635 NH1 ARG A 40 -2.016 -10.998 -5.974 1.00 0.00 N ATOM 636 NH2 ARG A 40 0.200 -11.550 -6.183 1.00 0.00 N ATOM 0 H ARG A 40 -0.755 -6.905 -1.739 1.00 0.00 H new ATOM 0 HA ARG A 40 0.243 -5.586 -4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.984 -6.938 -5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.106 -7.983 -4.793 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.635 -7.717 -3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.530 -8.523 -5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.071 -9.281 -2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.344 -10.185 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 40 0.480 -10.216 -4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.766 -10.523 -5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.225 -11.524 -6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.160 -11.501 -5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.013 -12.075 -7.031 1.00 0.00 H new ATOM 650 N TYR A 41 -2.166 -4.621 -4.434 1.00 0.00 N ATOM 651 CA TYR A 41 -3.356 -3.800 -4.282 1.00 0.00 C ATOM 652 C TYR A 41 -4.193 -3.758 -5.548 1.00 0.00 C ATOM 653 O TYR A 41 -3.695 -3.957 -6.656 1.00 0.00 O ATOM 654 CB TYR A 41 -2.974 -2.375 -3.891 1.00 0.00 C ATOM 655 CG TYR A 41 -1.720 -1.875 -4.569 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.476 -2.068 -3.985 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.780 -1.211 -5.789 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.673 -1.613 -4.599 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.632 -0.755 -6.408 1.00 0.00 C ATOM 660 CZ TYR A 41 0.591 -0.959 -5.809 1.00 0.00 C ATOM 661 OH TYR A 41 1.737 -0.506 -6.421 1.00 0.00 O ATOM 0 H TYR A 41 -1.679 -4.513 -5.324 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.954 -4.258 -3.494 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.800 -1.707 -4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.836 -2.329 -2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.406 -2.581 -3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.738 -1.049 -6.260 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.634 -1.769 -4.132 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.694 -0.242 -7.356 1.00 0.00 H new ATOM 0 HH TYR A 41 2.520 -0.902 -5.984 1.00 0.00 H new ATOM 671 N GLU A 42 -5.469 -3.461 -5.359 1.00 0.00 N ATOM 672 CA GLU A 42 -6.407 -3.341 -6.465 1.00 0.00 C ATOM 673 C GLU A 42 -6.990 -1.933 -6.469 1.00 0.00 C ATOM 674 O GLU A 42 -7.476 -1.460 -5.447 1.00 0.00 O ATOM 675 CB GLU A 42 -7.526 -4.379 -6.336 1.00 0.00 C ATOM 676 CG GLU A 42 -7.804 -5.134 -7.626 1.00 0.00 C ATOM 677 CD GLU A 42 -9.260 -5.060 -8.044 1.00 0.00 C ATOM 678 OE1 GLU A 42 -10.131 -5.432 -7.229 1.00 0.00 O ATOM 679 OE2 GLU A 42 -9.529 -4.630 -9.185 1.00 0.00 O ATOM 0 H GLU A 42 -5.882 -3.297 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.884 -3.524 -7.404 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.260 -5.093 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.439 -3.879 -6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.180 -4.727 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.519 -6.178 -7.500 1.00 0.00 H new ATOM 686 N VAL A 43 -6.915 -1.260 -7.607 1.00 0.00 N ATOM 687 CA VAL A 43 -7.415 0.107 -7.708 1.00 0.00 C ATOM 688 C VAL A 43 -8.752 0.173 -8.443 1.00 0.00 C ATOM 689 O VAL A 43 -8.892 -0.326 -9.558 1.00 0.00 O ATOM 690 CB VAL A 43 -6.386 1.016 -8.411 1.00 0.00 C ATOM 691 CG1 VAL A 43 -6.953 2.410 -8.648 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.104 1.087 -7.593 1.00 0.00 C ATOM 0 H VAL A 43 -6.516 -1.632 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.572 0.464 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.157 0.583 -9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.205 3.028 -9.145 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.841 2.340 -9.276 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.220 2.862 -7.692 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.385 1.731 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.324 1.494 -6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.684 0.087 -7.488 1.00 0.00 H new ATOM 702 N ARG A 44 -9.731 0.805 -7.797 1.00 0.00 N ATOM 703 CA ARG A 44 -11.063 0.956 -8.370 1.00 0.00 C ATOM 704 C ARG A 44 -11.585 2.372 -8.152 1.00 0.00 C ATOM 705 O ARG A 44 -12.188 2.668 -7.121 1.00 0.00 O ATOM 706 CB ARG A 44 -12.026 -0.051 -7.742 1.00 0.00 C ATOM 707 CG ARG A 44 -13.220 -0.385 -8.624 1.00 0.00 C ATOM 708 CD ARG A 44 -14.511 -0.450 -7.824 1.00 0.00 C ATOM 709 NE ARG A 44 -14.983 -1.823 -7.656 1.00 0.00 N ATOM 710 CZ ARG A 44 -15.939 -2.178 -6.801 1.00 0.00 C ATOM 711 NH1 ARG A 44 -16.525 -1.268 -6.033 1.00 0.00 N ATOM 712 NH2 ARG A 44 -16.309 -3.449 -6.713 1.00 0.00 N ATOM 0 H ARG A 44 -9.623 1.222 -6.872 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.996 0.768 -9.442 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.483 -0.969 -7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.386 0.346 -6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.315 0.367 -9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.050 -1.341 -9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.354 0.002 -6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.279 0.138 -8.326 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.555 -2.551 -8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.243 -0.290 -6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.257 -1.547 -5.380 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.861 -4.152 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.042 -3.723 -6.058 1.00 0.00 H new ATOM 726 N GLY A 45 -11.346 3.247 -9.124 1.00 0.00 N ATOM 727 CA GLY A 45 -11.797 4.621 -9.008 1.00 0.00 C ATOM 728 C GLY A 45 -11.139 5.344 -7.849 1.00 0.00 C ATOM 729 O GLY A 45 -11.801 6.063 -7.100 1.00 0.00 O ATOM 0 H GLY A 45 -10.849 3.029 -9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.581 5.152 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.879 4.637 -8.877 1.00 0.00 H new ATOM 733 N ALA A 46 -9.828 5.144 -7.699 1.00 0.00 N ATOM 734 CA ALA A 46 -9.054 5.767 -6.624 1.00 0.00 C ATOM 735 C ALA A 46 -9.143 4.965 -5.325 1.00 0.00 C ATOM 736 O ALA A 46 -8.400 5.222 -4.381 1.00 0.00 O ATOM 737 CB ALA A 46 -9.494 7.206 -6.392 1.00 0.00 C ATOM 0 H ALA A 46 -9.276 4.549 -8.316 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.012 5.773 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.901 7.643 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.348 7.783 -7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.548 7.224 -6.117 1.00 0.00 H new ATOM 743 N HIS A 47 -10.041 3.982 -5.287 1.00 0.00 N ATOM 744 CA HIS A 47 -10.200 3.143 -4.107 1.00 0.00 C ATOM 745 C HIS A 47 -9.352 1.888 -4.253 1.00 0.00 C ATOM 746 O HIS A 47 -9.462 1.175 -5.252 1.00 0.00 O ATOM 747 CB HIS A 47 -11.670 2.763 -3.916 1.00 0.00 C ATOM 748 CG HIS A 47 -12.295 3.374 -2.701 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.362 4.736 -2.491 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.890 2.800 -1.626 1.00 0.00 C ATOM 751 CE1 HIS A 47 -12.968 4.974 -1.340 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.299 3.816 -0.798 1.00 0.00 N ATOM 0 H HIS A 47 -10.666 3.750 -6.059 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.870 3.701 -3.231 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.233 3.070 -4.797 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.750 1.678 -3.849 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.018 1.742 -1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.159 5.949 -0.916 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.781 3.696 0.093 1.00 0.00 H new ATOM 761 N ILE A 48 -8.493 1.621 -3.276 1.00 0.00 N ATOM 762 CA ILE A 48 -7.629 0.448 -3.350 1.00 0.00 C ATOM 763 C ILE A 48 -7.497 -0.258 -2.005 1.00 0.00 C ATOM 764 O ILE A 48 -7.509 0.373 -0.952 1.00 0.00 O ATOM 765 CB ILE A 48 -6.223 0.814 -3.909 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.091 0.129 -3.119 1.00 0.00 C ATOM 767 CG2 ILE A 48 -6.019 2.323 -3.925 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.766 0.802 -1.798 1.00 0.00 C ATOM 0 H ILE A 48 -8.376 2.189 -2.437 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.108 -0.246 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.182 0.444 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.370 -0.907 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.192 0.109 -3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.029 2.552 -4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.778 2.786 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.104 2.712 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.960 0.261 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.454 1.830 -1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.650 0.799 -1.161 1.00 0.00 H new ATOM 780 N ASN A 49 -7.351 -1.577 -2.070 1.00 0.00 N ATOM 781 CA ASN A 49 -7.192 -2.400 -0.878 1.00 0.00 C ATOM 782 C ASN A 49 -5.974 -3.309 -1.040 1.00 0.00 C ATOM 783 O ASN A 49 -5.663 -3.744 -2.149 1.00 0.00 O ATOM 784 CB ASN A 49 -8.451 -3.243 -0.615 1.00 0.00 C ATOM 785 CG ASN A 49 -9.663 -2.790 -1.422 1.00 0.00 C ATOM 786 OD1 ASN A 49 -9.828 -1.602 -1.700 1.00 0.00 O ATOM 787 ND2 ASN A 49 -10.528 -3.733 -1.795 1.00 0.00 N ATOM 0 H ASN A 49 -7.340 -2.102 -2.944 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.043 -1.742 -0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.237 -4.286 -0.850 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.694 -3.199 0.447 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.359 -3.480 -2.329 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.358 -4.708 -1.547 1.00 0.00 H new ATOM 794 N TYR A 50 -5.282 -3.590 0.060 1.00 0.00 N ATOM 795 CA TYR A 50 -4.098 -4.440 0.020 1.00 0.00 C ATOM 796 C TYR A 50 -4.450 -5.872 0.397 1.00 0.00 C ATOM 797 O TYR A 50 -4.883 -6.130 1.513 1.00 0.00 O ATOM 798 CB TYR A 50 -3.042 -3.915 0.996 1.00 0.00 C ATOM 799 CG TYR A 50 -2.488 -2.551 0.644 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.890 -2.316 -0.586 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.561 -1.498 1.549 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.383 -1.070 -0.907 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.056 -0.251 1.235 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.468 -0.043 0.007 1.00 0.00 C ATOM 805 OH TYR A 50 -0.963 1.198 -0.310 1.00 0.00 O ATOM 0 H TYR A 50 -5.521 -3.242 0.989 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.704 -4.423 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.478 -3.870 1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.219 -4.628 1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.819 -3.119 -1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.020 -1.658 2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.923 -0.903 -1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.122 0.557 1.949 1.00 0.00 H new ATOM 0 HH TYR A 50 0.009 1.198 -0.182 1.00 0.00 H new ATOM 815 N TRP A 51 -4.242 -6.802 -0.527 1.00 0.00 N ATOM 816 CA TRP A 51 -4.522 -8.205 -0.255 1.00 0.00 C ATOM 817 C TRP A 51 -3.219 -8.985 -0.149 1.00 0.00 C ATOM 818 O TRP A 51 -2.684 -9.469 -1.146 1.00 0.00 O ATOM 819 CB TRP A 51 -5.427 -8.803 -1.337 1.00 0.00 C ATOM 820 CG TRP A 51 -5.576 -10.292 -1.238 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.092 -10.994 -0.187 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.204 -11.260 -2.225 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.063 -12.339 -0.459 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.523 -12.529 -1.705 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.633 -11.179 -3.498 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.291 -13.705 -2.413 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.403 -12.347 -4.201 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.730 -13.595 -3.658 1.00 0.00 C ATOM 0 H TRP A 51 -3.884 -6.612 -1.463 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.050 -8.275 0.696 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.413 -8.342 -1.270 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.023 -8.551 -2.317 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.468 -10.555 0.725 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.390 -13.077 0.164 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.376 -10.221 -3.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.544 -14.669 -1.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.963 -12.296 -5.186 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.536 -14.489 -4.232 1.00 0.00 H new ATOM 839 N ASP A 52 -2.702 -9.083 1.071 1.00 0.00 N ATOM 840 CA ASP A 52 -1.446 -9.786 1.317 1.00 0.00 C ATOM 841 C ASP A 52 -1.603 -11.290 1.163 1.00 0.00 C ATOM 842 O ASP A 52 -2.694 -11.838 1.326 1.00 0.00 O ATOM 843 CB ASP A 52 -0.920 -9.470 2.717 1.00 0.00 C ATOM 844 CG ASP A 52 -0.249 -8.112 2.788 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.950 -7.092 2.613 1.00 0.00 O ATOM 846 OD2 ASP A 52 0.979 -8.068 3.012 1.00 0.00 O ATOM 0 H ASP A 52 -3.133 -8.685 1.906 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.731 -9.438 0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.745 -9.502 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.209 -10.240 3.018 1.00 0.00 H new ATOM 851 N ASP A 53 -0.495 -11.953 0.857 1.00 0.00 N ATOM 852 CA ASP A 53 -0.484 -13.399 0.688 1.00 0.00 C ATOM 853 C ASP A 53 -0.310 -14.108 2.032 1.00 0.00 C ATOM 854 O ASP A 53 -0.500 -15.321 2.127 1.00 0.00 O ATOM 855 CB ASP A 53 0.636 -13.812 -0.267 1.00 0.00 C ATOM 856 CG ASP A 53 0.312 -13.490 -1.713 1.00 0.00 C ATOM 857 OD1 ASP A 53 -0.884 -13.516 -2.072 1.00 0.00 O ATOM 858 OD2 ASP A 53 1.253 -13.211 -2.485 1.00 0.00 O ATOM 0 H ASP A 53 0.413 -11.508 0.720 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.444 -13.696 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.558 -13.304 0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.818 -14.882 -0.168 1.00 0.00 H new ATOM 863 N THR A 54 0.059 -13.353 3.069 1.00 0.00 N ATOM 864 CA THR A 54 0.261 -13.933 4.393 1.00 0.00 C ATOM 865 C THR A 54 -1.020 -13.918 5.222 1.00 0.00 C ATOM 866 O THR A 54 -0.978 -13.988 6.451 1.00 0.00 O ATOM 867 CB THR A 54 1.386 -13.207 5.135 1.00 0.00 C ATOM 868 OG1 THR A 54 1.699 -13.874 6.344 1.00 0.00 O ATOM 869 CG2 THR A 54 1.053 -11.772 5.477 1.00 0.00 C ATOM 0 H THR A 54 0.222 -12.348 3.016 1.00 0.00 H new ATOM 0 HA THR A 54 0.548 -14.975 4.250 1.00 0.00 H new ATOM 0 HB THR A 54 2.233 -13.211 4.448 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.877 -14.224 6.747 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.894 -11.318 6.001 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.854 -11.216 4.561 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.170 -11.746 6.116 1.00 0.00 H new ATOM 877 N GLY A 55 -2.156 -13.869 4.542 1.00 0.00 N ATOM 878 CA GLY A 55 -3.439 -13.892 5.222 1.00 0.00 C ATOM 879 C GLY A 55 -3.908 -12.547 5.757 1.00 0.00 C ATOM 880 O GLY A 55 -4.743 -12.508 6.661 1.00 0.00 O ATOM 0 H GLY A 55 -2.214 -13.813 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.192 -14.274 4.533 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.381 -14.596 6.052 1.00 0.00 H new ATOM 884 N PHE A 56 -3.406 -11.440 5.209 1.00 0.00 N ATOM 885 CA PHE A 56 -3.833 -10.129 5.666 1.00 0.00 C ATOM 886 C PHE A 56 -4.433 -9.347 4.514 1.00 0.00 C ATOM 887 O PHE A 56 -4.207 -9.659 3.345 1.00 0.00 O ATOM 888 CB PHE A 56 -2.653 -9.359 6.285 1.00 0.00 C ATOM 889 CG PHE A 56 -2.681 -7.863 6.058 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.600 -7.334 4.777 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.799 -6.992 7.129 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.640 -5.965 4.570 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.836 -5.625 6.929 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.758 -5.110 5.649 1.00 0.00 C ATOM 0 H PHE A 56 -2.714 -11.429 4.460 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.594 -10.259 6.435 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.637 -9.549 7.358 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.724 -9.757 5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.505 -7.998 3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.863 -7.386 8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.579 -5.567 3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.926 -4.958 7.774 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.789 -4.042 5.492 1.00 0.00 H new ATOM 904 N THR A 57 -5.169 -8.306 4.856 1.00 0.00 N ATOM 905 CA THR A 57 -5.773 -7.442 3.856 1.00 0.00 C ATOM 906 C THR A 57 -6.061 -6.063 4.437 1.00 0.00 C ATOM 907 O THR A 57 -6.484 -5.937 5.587 1.00 0.00 O ATOM 908 CB THR A 57 -7.052 -8.052 3.269 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.207 -7.411 3.785 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.211 -9.539 3.517 1.00 0.00 C ATOM 0 H THR A 57 -5.364 -8.037 5.820 1.00 0.00 H new ATOM 0 HA THR A 57 -5.054 -7.339 3.043 1.00 0.00 H new ATOM 0 HB THR A 57 -6.951 -7.897 2.195 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.009 -7.817 3.394 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.142 -9.885 3.068 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.372 -10.074 3.072 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.234 -9.729 4.590 1.00 0.00 H new ATOM 918 N ALA A 58 -5.829 -5.035 3.633 1.00 0.00 N ATOM 919 CA ALA A 58 -6.060 -3.669 4.051 1.00 0.00 C ATOM 920 C ALA A 58 -6.977 -2.967 3.064 1.00 0.00 C ATOM 921 O ALA A 58 -7.390 -3.548 2.062 1.00 0.00 O ATOM 922 CB ALA A 58 -4.740 -2.924 4.184 1.00 0.00 C ATOM 0 H ALA A 58 -5.478 -5.128 2.680 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.546 -3.678 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.931 -1.898 4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.115 -3.421 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.227 -2.918 3.222 1.00 0.00 H new ATOM 928 N ASP A 59 -7.286 -1.720 3.358 1.00 0.00 N ATOM 929 CA ASP A 59 -8.159 -0.923 2.505 1.00 0.00 C ATOM 930 C ASP A 59 -7.739 0.544 2.505 1.00 0.00 C ATOM 931 O ASP A 59 -7.269 1.066 3.516 1.00 0.00 O ATOM 932 CB ASP A 59 -9.612 -1.050 2.968 1.00 0.00 C ATOM 933 CG ASP A 59 -9.821 -0.513 4.369 1.00 0.00 C ATOM 934 OD1 ASP A 59 -8.955 -0.756 5.235 1.00 0.00 O ATOM 935 OD2 ASP A 59 -10.854 0.151 4.601 1.00 0.00 O ATOM 0 H ASP A 59 -6.945 -1.230 4.185 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.073 -1.303 1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.259 -0.512 2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.911 -2.098 2.935 1.00 0.00 H new ATOM 940 N GLY A 60 -7.914 1.202 1.363 1.00 0.00 N ATOM 941 CA GLY A 60 -7.552 2.601 1.246 1.00 0.00 C ATOM 942 C GLY A 60 -8.226 3.274 0.068 1.00 0.00 C ATOM 943 O GLY A 60 -9.028 2.654 -0.632 1.00 0.00 O ATOM 0 H GLY A 60 -8.301 0.789 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.824 3.122 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.471 2.686 1.140 1.00 0.00 H new ATOM 947 N ASP A 61 -7.904 4.544 -0.155 1.00 0.00 N ATOM 948 CA ASP A 61 -8.491 5.296 -1.259 1.00 0.00 C ATOM 949 C ASP A 61 -7.754 6.613 -1.478 1.00 0.00 C ATOM 950 O ASP A 61 -7.637 7.429 -0.566 1.00 0.00 O ATOM 951 CB ASP A 61 -9.971 5.566 -0.987 1.00 0.00 C ATOM 952 CG ASP A 61 -10.206 6.172 0.382 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.277 5.406 1.366 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.320 7.413 0.470 1.00 0.00 O ATOM 0 H ASP A 61 -7.242 5.073 0.412 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.397 4.696 -2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.361 6.239 -1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.529 4.633 -1.069 1.00 0.00 H new ATOM 959 N PHE A 62 -7.262 6.813 -2.696 1.00 0.00 N ATOM 960 CA PHE A 62 -6.541 8.032 -3.037 1.00 0.00 C ATOM 961 C PHE A 62 -7.457 9.244 -2.959 1.00 0.00 C ATOM 962 O PHE A 62 -8.355 9.416 -3.784 1.00 0.00 O ATOM 963 CB PHE A 62 -5.940 7.943 -4.441 1.00 0.00 C ATOM 964 CG PHE A 62 -5.156 6.686 -4.710 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.685 5.895 -3.672 1.00 0.00 C ATOM 966 CD2 PHE A 62 -4.885 6.300 -6.013 1.00 0.00 C ATOM 967 CE1 PHE A 62 -3.959 4.747 -3.930 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.162 5.154 -6.277 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.698 4.378 -5.234 1.00 0.00 C ATOM 0 H PHE A 62 -7.350 6.146 -3.463 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.734 8.145 -2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.745 8.016 -5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.288 8.802 -4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.888 6.179 -2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.244 6.904 -6.833 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.597 4.140 -3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.960 4.865 -7.298 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.131 3.482 -5.438 1.00 0.00 H new ATOM 979 N VAL A 63 -7.216 10.081 -1.966 1.00 0.00 N ATOM 980 CA VAL A 63 -8.009 11.291 -1.773 1.00 0.00 C ATOM 981 C VAL A 63 -7.502 12.431 -2.653 1.00 0.00 C ATOM 982 O VAL A 63 -8.219 13.398 -2.905 1.00 0.00 O ATOM 983 CB VAL A 63 -7.996 11.757 -0.304 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.956 10.923 0.530 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.587 11.699 0.268 1.00 0.00 C ATOM 0 H VAL A 63 -6.476 9.948 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.031 11.037 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.330 12.794 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.933 11.267 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.967 11.028 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.658 9.875 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.602 12.032 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.217 10.675 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.932 12.348 -0.312 1.00 0.00 H new ATOM 995 N SER A 64 -6.261 12.312 -3.120 1.00 0.00 N ATOM 996 CA SER A 64 -5.665 13.335 -3.969 1.00 0.00 C ATOM 997 C SER A 64 -4.736 12.707 -5.004 1.00 0.00 C ATOM 998 O SER A 64 -4.756 11.494 -5.215 1.00 0.00 O ATOM 999 CB SER A 64 -4.894 14.345 -3.118 1.00 0.00 C ATOM 1000 OG SER A 64 -5.049 15.662 -3.624 1.00 0.00 O ATOM 0 H SER A 64 -5.651 11.518 -2.924 1.00 0.00 H new ATOM 0 HA SER A 64 -6.468 13.852 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.249 14.304 -2.088 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.837 14.080 -3.102 1.00 0.00 H new ATOM 0 HG SER A 64 -4.548 16.289 -3.062 1.00 0.00 H new ATOM 1006 N ALA A 65 -3.924 13.540 -5.646 1.00 0.00 N ATOM 1007 CA ALA A 65 -2.990 13.065 -6.659 1.00 0.00 C ATOM 1008 C ALA A 65 -1.696 12.564 -6.025 1.00 0.00 C ATOM 1009 O ALA A 65 -1.032 11.680 -6.566 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.695 14.171 -7.662 1.00 0.00 C ATOM 0 H ALA A 65 -3.894 14.546 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.454 12.228 -7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.996 13.804 -8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.621 14.479 -8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.256 15.024 -7.144 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.341 13.134 -4.878 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.122 12.742 -4.177 1.00 0.00 C ATOM 1018 C ASN A 66 -0.418 12.275 -2.750 1.00 0.00 C ATOM 1019 O ASN A 66 0.498 11.924 -2.007 1.00 0.00 O ATOM 1020 CB ASN A 66 0.869 13.908 -4.147 1.00 0.00 C ATOM 1021 CG ASN A 66 1.960 13.786 -5.201 1.00 0.00 C ATOM 1022 OD1 ASN A 66 3.082 14.248 -4.998 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.641 13.163 -6.335 1.00 0.00 N ATOM 0 H ASN A 66 -1.878 13.867 -4.415 1.00 0.00 H new ATOM 0 HA ASN A 66 0.317 11.906 -4.721 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.328 14.842 -4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.329 13.962 -3.160 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.338 13.056 -7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.700 12.793 -6.466 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.693 12.268 -2.369 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.081 11.839 -1.031 1.00 0.00 C ATOM 1032 C GLU A 67 -2.752 10.470 -1.077 1.00 0.00 C ATOM 1033 O GLU A 67 -3.390 10.112 -2.067 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.021 12.862 -0.391 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.822 13.017 1.108 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.487 14.263 1.659 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -4.735 14.296 1.705 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -2.762 15.205 2.042 1.00 0.00 O ATOM 0 H GLU A 67 -2.470 12.553 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.178 11.764 -0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.872 13.829 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.052 12.566 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.223 12.140 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.755 13.052 1.327 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.592 9.705 -0.004 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.170 8.371 0.080 1.00 0.00 C ATOM 1047 C LEU A 68 -3.859 8.175 1.425 1.00 0.00 C ATOM 1048 O LEU A 68 -3.395 8.673 2.449 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.055 7.329 -0.141 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.265 5.913 0.442 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.498 5.926 1.947 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.409 5.214 -0.271 1.00 0.00 C ATOM 0 H LEU A 68 -2.065 9.988 0.822 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.928 8.244 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.898 7.229 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.133 7.731 0.279 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.343 5.357 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.639 4.905 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.635 6.367 2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.387 6.515 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.546 4.218 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.325 5.791 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.179 5.131 -1.333 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.963 7.437 1.417 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.703 7.168 2.644 1.00 0.00 C ATOM 1066 C HIS A 69 -5.911 5.672 2.835 1.00 0.00 C ATOM 1067 O HIS A 69 -6.702 5.050 2.128 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.052 7.880 2.634 1.00 0.00 C ATOM 1069 CG HIS A 69 -7.012 9.246 3.243 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -5.857 9.996 3.338 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -7.993 10.001 3.794 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -6.131 11.150 3.922 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -7.419 11.177 4.208 1.00 0.00 N ATOM 0 H HIS A 69 -5.364 7.016 0.579 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.112 7.550 3.476 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.404 7.960 1.605 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.779 7.272 3.173 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -4.936 9.705 3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.034 9.728 3.890 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.421 11.937 4.130 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.201 5.099 3.800 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.319 3.674 4.085 1.00 0.00 C ATOM 1084 C HIS A 70 -5.310 3.425 5.589 1.00 0.00 C ATOM 1085 O HIS A 70 -4.498 3.998 6.318 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.196 2.889 3.384 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.020 2.549 4.256 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -3.120 1.766 5.389 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -1.710 2.871 4.141 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -1.925 1.625 5.932 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.053 2.284 5.194 1.00 0.00 N ATOM 0 H HIS A 70 -4.540 5.597 4.396 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.272 3.319 3.693 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.613 1.964 2.986 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.842 3.471 2.533 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.265 3.477 3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.700 1.065 6.828 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.051 2.347 5.376 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.220 2.575 6.051 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.302 2.274 7.469 1.00 0.00 C ATOM 1102 C GLY A 71 -6.416 3.529 8.315 1.00 0.00 C ATOM 1103 O GLY A 71 -6.071 3.524 9.495 1.00 0.00 O ATOM 0 H GLY A 71 -6.903 2.089 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.165 1.634 7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.418 1.713 7.771 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.902 4.605 7.704 1.00 0.00 N ATOM 1108 CA GLY A 72 -7.053 5.858 8.415 1.00 0.00 C ATOM 1109 C GLY A 72 -5.759 6.648 8.491 1.00 0.00 C ATOM 1110 O GLY A 72 -5.622 7.539 9.328 1.00 0.00 O ATOM 0 H GLY A 72 -7.194 4.630 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.814 6.462 7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.411 5.657 9.425 1.00 0.00 H new ATOM 1114 N MET A 73 -4.804 6.326 7.618 1.00 0.00 N ATOM 1115 CA MET A 73 -3.526 7.019 7.605 1.00 0.00 C ATOM 1116 C MET A 73 -3.405 7.922 6.386 1.00 0.00 C ATOM 1117 O MET A 73 -4.151 7.781 5.417 1.00 0.00 O ATOM 1118 CB MET A 73 -2.382 6.004 7.612 1.00 0.00 C ATOM 1119 CG MET A 73 -1.780 5.777 8.987 1.00 0.00 C ATOM 1120 SD MET A 73 -2.738 4.615 9.980 1.00 0.00 S ATOM 1121 CE MET A 73 -1.497 4.067 11.150 1.00 0.00 C ATOM 0 H MET A 73 -4.895 5.592 6.915 1.00 0.00 H new ATOM 0 HA MET A 73 -3.468 7.640 8.499 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.748 5.054 7.223 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.600 6.346 6.934 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.762 5.402 8.877 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.714 6.730 9.512 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.937 3.342 11.835 1.00 0.00 H new ATOM 0 HE2 MET A 73 -0.670 3.603 10.613 1.00 0.00 H new ATOM 0 HE3 MET A 73 -1.127 4.922 11.716 1.00 0.00 H new ATOM 1131 N THR A 74 -2.448 8.840 6.435 1.00 0.00 N ATOM 1132 CA THR A 74 -2.211 9.758 5.329 1.00 0.00 C ATOM 1133 C THR A 74 -0.822 9.526 4.752 1.00 0.00 C ATOM 1134 O THR A 74 0.185 9.858 5.375 1.00 0.00 O ATOM 1135 CB THR A 74 -2.354 11.209 5.788 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.501 11.367 6.603 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.468 12.190 4.640 1.00 0.00 C ATOM 0 H THR A 74 -1.823 8.968 7.230 1.00 0.00 H new ATOM 0 HA THR A 74 -2.956 9.569 4.557 1.00 0.00 H new ATOM 0 HB THR A 74 -1.442 11.428 6.344 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.574 12.302 6.888 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.567 13.201 5.034 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.575 12.128 4.019 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.345 11.947 4.040 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.778 8.939 3.564 1.00 0.00 N ATOM 1146 CA PHE A 75 0.489 8.642 2.909 1.00 0.00 C ATOM 1147 C PHE A 75 0.708 9.536 1.696 1.00 0.00 C ATOM 1148 O PHE A 75 -0.144 9.630 0.813 1.00 0.00 O ATOM 1149 CB PHE A 75 0.516 7.171 2.496 1.00 0.00 C ATOM 1150 CG PHE A 75 0.938 6.252 3.600 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.279 6.025 3.853 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.011 5.622 4.389 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.670 5.184 4.873 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.375 4.780 5.414 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.718 4.558 5.656 1.00 0.00 C ATOM 0 H PHE A 75 -1.604 8.659 3.034 1.00 0.00 H new ATOM 0 HA PHE A 75 1.297 8.838 3.614 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.476 6.880 2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.196 7.050 1.653 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.027 6.512 3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.061 5.791 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.720 5.014 5.060 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.372 4.296 6.026 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.022 3.897 6.454 1.00 0.00 H new ATOM 1165 N TYR A 76 1.865 10.189 1.658 1.00 0.00 N ATOM 1166 CA TYR A 76 2.210 11.072 0.554 1.00 0.00 C ATOM 1167 C TYR A 76 3.211 10.394 -0.370 1.00 0.00 C ATOM 1168 O TYR A 76 4.054 9.615 0.075 1.00 0.00 O ATOM 1169 CB TYR A 76 2.784 12.388 1.080 1.00 0.00 C ATOM 1170 CG TYR A 76 1.945 13.012 2.168 1.00 0.00 C ATOM 1171 CD1 TYR A 76 1.983 12.523 3.467 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.105 14.085 1.895 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.210 13.084 4.464 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.330 14.654 2.887 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.385 14.151 4.169 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.386 14.714 5.159 1.00 0.00 O ATOM 0 H TYR A 76 2.580 10.122 2.382 1.00 0.00 H new ATOM 0 HA TYR A 76 1.303 11.290 -0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.789 12.211 1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.877 13.092 0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.628 11.689 3.702 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.057 14.480 0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.250 12.690 5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.316 15.489 2.659 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.908 15.455 4.786 1.00 0.00 H new ATOM 1186 N ARG A 77 3.104 10.681 -1.660 1.00 0.00 N ATOM 1187 CA ARG A 77 3.994 10.080 -2.645 1.00 0.00 C ATOM 1188 C ARG A 77 5.401 10.655 -2.565 1.00 0.00 C ATOM 1189 O ARG A 77 5.582 11.861 -2.431 1.00 0.00 O ATOM 1190 CB ARG A 77 3.444 10.281 -4.054 1.00 0.00 C ATOM 1191 CG ARG A 77 3.941 9.250 -5.056 1.00 0.00 C ATOM 1192 CD ARG A 77 3.249 7.909 -4.871 1.00 0.00 C ATOM 1193 NE ARG A 77 2.745 7.375 -6.136 1.00 0.00 N ATOM 1194 CZ ARG A 77 1.797 7.960 -6.867 1.00 0.00 C ATOM 1195 NH1 ARG A 77 1.238 9.093 -6.461 1.00 0.00 N ATOM 1196 NH2 ARG A 77 1.405 7.406 -8.007 1.00 0.00 N ATOM 0 H ARG A 77 2.413 11.323 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 77 4.048 9.015 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.355 10.245 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.719 11.276 -4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.767 9.613 -6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.018 9.123 -4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.948 7.198 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.422 8.021 -4.169 1.00 0.00 H new ATOM 0 HE ARG A 77 3.144 6.501 -6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.534 9.522 -5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.513 9.535 -7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.829 6.534 -8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.679 7.852 -8.568 1.00 0.00 H new ATOM 1210 N GLU A 78 6.377 9.756 -2.673 1.00 0.00 N ATOM 1211 CA GLU A 78 7.811 10.070 -2.645 1.00 0.00 C ATOM 1212 C GLU A 78 8.175 11.146 -1.615 1.00 0.00 C ATOM 1213 O GLU A 78 9.014 10.917 -0.745 1.00 0.00 O ATOM 1214 CB GLU A 78 8.294 10.431 -4.064 1.00 0.00 C ATOM 1215 CG GLU A 78 8.946 11.803 -4.218 1.00 0.00 C ATOM 1216 CD GLU A 78 7.944 12.899 -4.523 1.00 0.00 C ATOM 1217 OE1 GLU A 78 6.880 12.587 -5.099 1.00 0.00 O ATOM 1218 OE2 GLU A 78 8.222 14.069 -4.186 1.00 0.00 O ATOM 0 H GLU A 78 6.191 8.760 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 78 8.339 9.176 -2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.007 9.673 -4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.442 10.377 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.481 12.051 -3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.686 11.761 -5.017 1.00 0.00 H new ATOM 1225 N LYS A 79 7.553 12.309 -1.721 1.00 0.00 N ATOM 1226 CA LYS A 79 7.820 13.412 -0.802 1.00 0.00 C ATOM 1227 C LYS A 79 9.263 13.889 -0.933 1.00 0.00 C ATOM 1228 O LYS A 79 10.169 13.167 -0.465 1.00 0.00 O ATOM 1229 CB LYS A 79 7.542 12.988 0.643 1.00 0.00 C ATOM 1230 CG LYS A 79 6.076 13.071 1.031 1.00 0.00 C ATOM 1231 CD LYS A 79 5.908 13.286 2.526 1.00 0.00 C ATOM 1232 CE LYS A 79 5.634 14.746 2.852 1.00 0.00 C ATOM 1233 NZ LYS A 79 6.882 15.557 2.862 1.00 0.00 N ATOM 1234 OXT LYS A 79 9.474 14.979 -1.504 1.00 0.00 O ATOM 0 H LYS A 79 6.856 12.518 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 79 7.155 14.235 -1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.889 11.965 0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.123 13.618 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.601 13.888 0.489 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.567 12.154 0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.087 12.670 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.809 12.959 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.940 15.157 2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.148 14.816 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.654 16.542 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.542 15.170 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.324 15.526 1.921 1.00 0.00 H new TER 1248 LYS A 79