USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 911 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 93 MET CE :methyl 155:sc= -0.121 (180deg=0) USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= -0.0177 USER MOD Set 2.1: A 76 THR OG1 : rot -84:sc= -0.169 USER MOD Set 2.2: A 78 GLN : amide:sc= 0.0573 X(o=1.1,f=1.3) USER MOD Set 2.3: A 79 THR OG1 : rot 149:sc= 1.19 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.319 K(o=-0.32,f=-2.1) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -58:sc= 0.376 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 11 MET CE :methyl -127:sc= -0.12 (180deg=-2.82!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 156:sc= -1.22 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.0138 F(o=-1.2,f=-0.014) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 36 GLN : amide:sc= -2.91! C(o=-2.9!,f=-4.7!) USER MOD Single : A 39 THR OG1 : rot 90:sc= 0.74 USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -0.0295 (180deg=-0.296) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 50:sc= 0.18 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.955 K(o=-0.95,f=-3.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0744 USER MOD Single : A 62 SER OG : rot 170:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -4.58! C(o=-5.3!,f=-4.6!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0285) USER MOD Single : A 90 HIS : no HD1:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.232 USER MOD Single : A 105 HIS : no HD1:sc= -0.341 X(o=-0.34,f=0.075) USER MOD Single : A 106 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.183) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.586 11.422 -8.533 1.00 14.04 N ATOM 2 CA GLY A 1 10.911 11.135 -9.148 1.00 13.85 C ATOM 3 C GLY A 1 11.514 12.352 -9.821 1.00 13.29 C ATOM 4 O GLY A 1 12.643 12.740 -9.521 1.00 13.45 O ATOM 0 H1 GLY A 1 9.216 10.559 -8.086 1.00 14.04 H new ATOM 0 H2 GLY A 1 9.691 12.166 -7.814 1.00 14.04 H new ATOM 0 H3 GLY A 1 8.924 11.742 -9.268 1.00 14.04 H new ATOM 0 HA2 GLY A 1 11.594 10.773 -8.379 1.00 13.85 H new ATOM 0 HA3 GLY A 1 10.802 10.335 -9.880 1.00 13.85 H new ATOM 10 N SER A 2 10.758 12.956 -10.732 1.00 12.81 N ATOM 11 CA SER A 2 11.222 14.137 -11.453 1.00 12.44 C ATOM 12 C SER A 2 10.831 15.413 -10.715 1.00 11.66 C ATOM 13 O SER A 2 10.614 16.458 -11.331 1.00 11.62 O ATOM 14 CB SER A 2 10.642 14.154 -12.870 1.00 13.00 C ATOM 15 OG SER A 2 9.248 14.403 -12.847 1.00 13.39 O ATOM 0 H SER A 2 9.820 12.647 -10.989 1.00 12.81 H new ATOM 0 HA SER A 2 12.309 14.093 -11.513 1.00 12.44 H new ATOM 0 HB2 SER A 2 11.142 14.921 -13.462 1.00 13.00 H new ATOM 0 HB3 SER A 2 10.836 13.198 -13.357 1.00 13.00 H new ATOM 0 HG SER A 2 8.902 14.411 -13.764 1.00 13.39 H new ATOM 21 N HIS A 3 10.744 15.322 -9.391 1.00 11.24 N ATOM 22 CA HIS A 3 10.376 16.468 -8.567 1.00 10.68 C ATOM 23 C HIS A 3 11.150 16.464 -7.253 1.00 9.83 C ATOM 24 O HIS A 3 11.262 15.431 -6.591 1.00 9.74 O ATOM 25 CB HIS A 3 8.872 16.458 -8.289 1.00 11.22 C ATOM 26 CG HIS A 3 8.363 17.735 -7.698 1.00 11.78 C ATOM 27 ND1 HIS A 3 9.124 18.884 -7.613 1.00 12.09 N ATOM 28 CD2 HIS A 3 7.158 18.045 -7.162 1.00 12.30 C ATOM 29 CE1 HIS A 3 8.410 19.841 -7.049 1.00 12.74 C ATOM 30 NE2 HIS A 3 7.214 19.358 -6.769 1.00 12.87 N ATOM 0 H HIS A 3 10.923 14.466 -8.866 1.00 11.24 H new ATOM 0 HA HIS A 3 10.631 17.376 -9.114 1.00 10.68 H new ATOM 0 HB2 HIS A 3 8.340 16.261 -9.220 1.00 11.22 H new ATOM 0 HB3 HIS A 3 8.642 15.636 -7.611 1.00 11.22 H new ATOM 0 HD2 HIS A 3 6.311 17.382 -7.063 1.00 12.30 H new ATOM 0 HE1 HIS A 3 8.747 20.848 -6.851 1.00 12.74 H new ATOM 0 HE2 HIS A 3 6.454 19.878 -6.331 1.00 12.87 H new ATOM 39 N MET A 4 11.682 17.625 -6.882 1.00 9.43 N ATOM 40 CA MET A 4 12.446 17.755 -5.645 1.00 8.83 C ATOM 41 C MET A 4 11.634 18.482 -4.577 1.00 8.04 C ATOM 42 O MET A 4 11.646 19.710 -4.505 1.00 8.16 O ATOM 43 CB MET A 4 13.753 18.505 -5.904 1.00 9.24 C ATOM 44 CG MET A 4 14.585 17.915 -7.030 1.00 9.89 C ATOM 45 SD MET A 4 14.411 18.831 -8.574 1.00 10.81 S ATOM 46 CE MET A 4 14.241 17.488 -9.744 1.00 11.46 C ATOM 0 H MET A 4 11.598 18.488 -7.419 1.00 9.43 H new ATOM 0 HA MET A 4 12.675 16.753 -5.283 1.00 8.83 H new ATOM 0 HB2 MET A 4 13.524 19.544 -6.140 1.00 9.24 H new ATOM 0 HB3 MET A 4 14.346 18.509 -4.990 1.00 9.24 H new ATOM 0 HG2 MET A 4 15.634 17.904 -6.734 1.00 9.89 H new ATOM 0 HG3 MET A 4 14.289 16.879 -7.191 1.00 9.89 H new ATOM 0 HE1 MET A 4 14.124 17.894 -10.749 1.00 11.46 H new ATOM 0 HE2 MET A 4 15.130 16.859 -9.708 1.00 11.46 H new ATOM 0 HE3 MET A 4 13.365 16.892 -9.489 1.00 11.46 H new ATOM 56 N SER A 5 10.932 17.713 -3.752 1.00 7.48 N ATOM 57 CA SER A 5 10.117 18.283 -2.684 1.00 6.96 C ATOM 58 C SER A 5 10.513 17.697 -1.331 1.00 5.97 C ATOM 59 O SER A 5 9.724 17.002 -0.690 1.00 5.85 O ATOM 60 CB SER A 5 8.633 18.028 -2.956 1.00 7.28 C ATOM 61 OG SER A 5 7.827 18.537 -1.907 1.00 7.75 O ATOM 0 H SER A 5 10.910 16.694 -3.802 1.00 7.48 H new ATOM 0 HA SER A 5 10.291 19.359 -2.657 1.00 6.96 H new ATOM 0 HB2 SER A 5 8.347 18.496 -3.898 1.00 7.28 H new ATOM 0 HB3 SER A 5 8.459 16.958 -3.066 1.00 7.28 H new ATOM 0 HG SER A 5 8.090 18.119 -1.060 1.00 7.75 H new ATOM 67 N HIS A 6 11.742 17.987 -0.907 1.00 5.62 N ATOM 68 CA HIS A 6 12.260 17.494 0.367 1.00 5.03 C ATOM 69 C HIS A 6 12.254 15.968 0.406 1.00 4.34 C ATOM 70 O HIS A 6 11.223 15.348 0.667 1.00 4.70 O ATOM 71 CB HIS A 6 11.440 18.052 1.532 1.00 5.60 C ATOM 72 CG HIS A 6 12.198 19.027 2.381 1.00 6.21 C ATOM 73 ND1 HIS A 6 12.063 20.393 2.261 1.00 6.80 N ATOM 74 CD2 HIS A 6 13.104 18.824 3.367 1.00 6.70 C ATOM 75 CE1 HIS A 6 12.855 20.991 3.134 1.00 7.53 C ATOM 76 NE2 HIS A 6 13.496 20.061 3.818 1.00 7.49 N ATOM 0 H HIS A 6 12.400 18.564 -1.431 1.00 5.62 H new ATOM 0 HA HIS A 6 13.290 17.837 0.465 1.00 5.03 H new ATOM 0 HB2 HIS A 6 10.549 18.541 1.138 1.00 5.60 H new ATOM 0 HB3 HIS A 6 11.100 17.225 2.156 1.00 5.60 H new ATOM 0 HD2 HIS A 6 13.453 17.869 3.731 1.00 6.70 H new ATOM 0 HE1 HIS A 6 12.960 22.058 3.265 1.00 7.53 H new ATOM 0 HE2 HIS A 6 14.173 20.233 4.561 1.00 7.49 H new ATOM 85 N LEU A 7 13.416 15.372 0.148 1.00 3.79 N ATOM 86 CA LEU A 7 13.555 13.918 0.149 1.00 3.54 C ATOM 87 C LEU A 7 12.619 13.283 -0.876 1.00 3.05 C ATOM 88 O LEU A 7 12.171 13.945 -1.812 1.00 3.39 O ATOM 89 CB LEU A 7 13.274 13.355 1.545 1.00 4.07 C ATOM 90 CG LEU A 7 14.407 12.520 2.147 1.00 4.94 C ATOM 91 CD1 LEU A 7 15.449 13.420 2.795 1.00 5.66 C ATOM 92 CD2 LEU A 7 13.857 11.525 3.158 1.00 5.67 C ATOM 0 H LEU A 7 14.277 15.876 -0.065 1.00 3.79 H new ATOM 0 HA LEU A 7 14.581 13.674 -0.127 1.00 3.54 H new ATOM 0 HB2 LEU A 7 13.058 14.185 2.218 1.00 4.07 H new ATOM 0 HB3 LEU A 7 12.375 12.740 1.498 1.00 4.07 H new ATOM 0 HG LEU A 7 14.888 11.963 1.343 1.00 4.94 H new ATOM 0 HD11 LEU A 7 16.246 12.808 3.217 1.00 5.66 H new ATOM 0 HD12 LEU A 7 15.866 14.092 2.045 1.00 5.66 H new ATOM 0 HD13 LEU A 7 14.982 14.005 3.587 1.00 5.66 H new ATOM 0 HD21 LEU A 7 14.676 10.940 3.576 1.00 5.67 H new ATOM 0 HD22 LEU A 7 13.350 12.063 3.959 1.00 5.67 H new ATOM 0 HD23 LEU A 7 13.150 10.858 2.665 1.00 5.67 H new ATOM 104 N ASP A 8 12.330 11.995 -0.694 1.00 2.65 N ATOM 105 CA ASP A 8 11.447 11.267 -1.602 1.00 2.38 C ATOM 106 C ASP A 8 11.985 11.298 -3.031 1.00 2.22 C ATOM 107 O ASP A 8 11.693 12.218 -3.796 1.00 2.74 O ATOM 108 CB ASP A 8 10.034 11.852 -1.561 1.00 2.57 C ATOM 109 CG ASP A 8 9.686 12.433 -0.204 1.00 3.32 C ATOM 110 OD1 ASP A 8 9.947 11.761 0.815 1.00 3.77 O ATOM 111 OD2 ASP A 8 9.151 13.562 -0.161 1.00 3.86 O ATOM 0 H ASP A 8 12.696 11.434 0.076 1.00 2.65 H new ATOM 0 HA ASP A 8 11.409 10.229 -1.271 1.00 2.38 H new ATOM 0 HB2 ASP A 8 9.944 12.629 -2.320 1.00 2.57 H new ATOM 0 HB3 ASP A 8 9.314 11.074 -1.815 1.00 2.57 H new ATOM 116 N ASN A 9 12.774 10.287 -3.383 1.00 1.98 N ATOM 117 CA ASN A 9 13.355 10.197 -4.718 1.00 2.16 C ATOM 118 C ASN A 9 12.926 8.908 -5.412 1.00 1.77 C ATOM 119 O ASN A 9 13.691 8.317 -6.174 1.00 2.00 O ATOM 120 CB ASN A 9 14.882 10.266 -4.636 1.00 2.89 C ATOM 121 CG ASN A 9 15.361 11.310 -3.646 1.00 3.63 C ATOM 122 OD1 ASN A 9 14.832 12.420 -3.594 1.00 4.06 O ATOM 123 ND2 ASN A 9 16.365 10.958 -2.853 1.00 4.31 N ATOM 0 H ASN A 9 13.026 9.518 -2.762 1.00 1.98 H new ATOM 0 HA ASN A 9 12.992 11.040 -5.305 1.00 2.16 H new ATOM 0 HB2 ASN A 9 15.272 9.290 -4.348 1.00 2.89 H new ATOM 0 HB3 ASN A 9 15.286 10.492 -5.623 1.00 2.89 H new ATOM 0 HD21 ASN A 9 16.728 11.619 -2.166 1.00 4.31 H new ATOM 0 HD22 ASN A 9 16.774 10.027 -2.931 1.00 4.31 H new ATOM 130 N THR A 10 11.697 8.479 -5.141 1.00 1.51 N ATOM 131 CA THR A 10 11.163 7.261 -5.736 1.00 1.25 C ATOM 132 C THR A 10 10.130 7.588 -6.819 1.00 1.22 C ATOM 133 O THR A 10 10.466 8.182 -7.843 1.00 1.93 O ATOM 134 CB THR A 10 10.530 6.350 -4.666 1.00 1.11 C ATOM 135 OG1 THR A 10 9.574 7.087 -3.895 1.00 1.23 O ATOM 136 CG2 THR A 10 11.596 5.777 -3.745 1.00 1.18 C ATOM 0 H THR A 10 11.052 8.958 -4.512 1.00 1.51 H new ATOM 0 HA THR A 10 11.996 6.729 -6.195 1.00 1.25 H new ATOM 0 HB THR A 10 10.028 5.527 -5.174 1.00 1.11 H new ATOM 0 HG1 THR A 10 9.176 6.499 -3.219 1.00 1.23 H new ATOM 0 HG21 THR A 10 11.126 5.137 -2.998 1.00 1.18 H new ATOM 0 HG22 THR A 10 12.305 5.191 -4.330 1.00 1.18 H new ATOM 0 HG23 THR A 10 12.122 6.591 -3.246 1.00 1.18 H new ATOM 144 N MET A 11 8.876 7.200 -6.592 1.00 0.77 N ATOM 145 CA MET A 11 7.809 7.459 -7.552 1.00 0.68 C ATOM 146 C MET A 11 6.443 7.338 -6.887 1.00 0.61 C ATOM 147 O MET A 11 6.143 6.329 -6.249 1.00 0.63 O ATOM 148 CB MET A 11 7.900 6.489 -8.734 1.00 0.70 C ATOM 149 CG MET A 11 8.282 5.072 -8.331 1.00 0.72 C ATOM 150 SD MET A 11 8.329 3.942 -9.735 1.00 1.23 S ATOM 151 CE MET A 11 7.637 2.463 -9.000 1.00 0.74 C ATOM 0 H MET A 11 8.576 6.706 -5.752 1.00 0.77 H new ATOM 0 HA MET A 11 7.929 8.477 -7.921 1.00 0.68 H new ATOM 0 HB2 MET A 11 6.939 6.465 -9.248 1.00 0.70 H new ATOM 0 HB3 MET A 11 8.634 6.866 -9.447 1.00 0.70 H new ATOM 0 HG2 MET A 11 9.259 5.086 -7.848 1.00 0.72 H new ATOM 0 HG3 MET A 11 7.568 4.702 -7.595 1.00 0.72 H new ATOM 0 HE1 MET A 11 8.311 1.623 -9.169 1.00 0.74 H new ATOM 0 HE2 MET A 11 7.509 2.615 -7.928 1.00 0.74 H new ATOM 0 HE3 MET A 11 6.670 2.249 -9.455 1.00 0.74 H new ATOM 161 N ALA A 12 5.623 8.374 -7.040 1.00 0.57 N ATOM 162 CA ALA A 12 4.285 8.387 -6.459 1.00 0.56 C ATOM 163 C ALA A 12 3.518 7.120 -6.818 1.00 0.48 C ATOM 164 O ALA A 12 3.803 6.473 -7.825 1.00 0.46 O ATOM 165 CB ALA A 12 3.523 9.618 -6.924 1.00 0.62 C ATOM 0 H ALA A 12 5.863 9.217 -7.562 1.00 0.57 H new ATOM 0 HA ALA A 12 4.386 8.422 -5.374 1.00 0.56 H new ATOM 0 HB1 ALA A 12 2.526 9.616 -6.484 1.00 0.62 H new ATOM 0 HB2 ALA A 12 4.056 10.516 -6.611 1.00 0.62 H new ATOM 0 HB3 ALA A 12 3.440 9.605 -8.011 1.00 0.62 H new ATOM 171 N ILE A 13 2.549 6.770 -5.980 1.00 0.46 N ATOM 172 CA ILE A 13 1.732 5.583 -6.201 1.00 0.44 C ATOM 173 C ILE A 13 1.105 5.609 -7.595 1.00 0.43 C ATOM 174 O ILE A 13 0.814 4.562 -8.175 1.00 0.45 O ATOM 175 CB ILE A 13 0.637 5.463 -5.112 1.00 0.48 C ATOM 176 CG1 ILE A 13 0.917 4.258 -4.214 1.00 0.65 C ATOM 177 CG2 ILE A 13 -0.757 5.361 -5.721 1.00 0.54 C ATOM 178 CD1 ILE A 13 0.698 4.539 -2.743 1.00 0.58 C ATOM 0 H ILE A 13 2.309 7.294 -5.138 1.00 0.46 H new ATOM 0 HA ILE A 13 2.378 4.708 -6.135 1.00 0.44 H new ATOM 0 HB ILE A 13 0.665 6.371 -4.510 1.00 0.48 H new ATOM 0 HG12 ILE A 13 0.275 3.431 -4.518 1.00 0.65 H new ATOM 0 HG13 ILE A 13 1.947 3.934 -4.365 1.00 0.65 H new ATOM 0 HG21 ILE A 13 -1.497 5.278 -4.925 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -0.961 6.252 -6.315 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -0.811 4.479 -6.360 1.00 0.54 H new ATOM 0 HD11 ILE A 13 0.915 3.641 -2.165 1.00 0.58 H new ATOM 0 HD12 ILE A 13 1.359 5.345 -2.424 1.00 0.58 H new ATOM 0 HD13 ILE A 13 -0.338 4.834 -2.579 1.00 0.58 H new ATOM 190 N ARG A 14 0.893 6.811 -8.124 1.00 0.47 N ATOM 191 CA ARG A 14 0.315 6.970 -9.453 1.00 0.53 C ATOM 192 C ARG A 14 1.160 6.234 -10.487 1.00 0.51 C ATOM 193 O ARG A 14 0.635 5.646 -11.434 1.00 0.66 O ATOM 194 CB ARG A 14 0.210 8.453 -9.817 1.00 0.62 C ATOM 195 CG ARG A 14 -0.326 8.702 -11.218 1.00 1.28 C ATOM 196 CD ARG A 14 0.668 9.483 -12.065 1.00 1.42 C ATOM 197 NE ARG A 14 0.253 9.561 -13.463 1.00 1.82 N ATOM 198 CZ ARG A 14 -0.492 10.545 -13.959 1.00 2.23 C ATOM 199 NH1 ARG A 14 -0.899 11.534 -13.174 1.00 2.63 N ATOM 200 NH2 ARG A 14 -0.828 10.541 -15.240 1.00 2.82 N ATOM 0 H ARG A 14 1.113 7.688 -7.652 1.00 0.47 H new ATOM 0 HA ARG A 14 -0.687 6.541 -9.448 1.00 0.53 H new ATOM 0 HB2 ARG A 14 -0.439 8.950 -9.096 1.00 0.62 H new ATOM 0 HB3 ARG A 14 1.195 8.911 -9.728 1.00 0.62 H new ATOM 0 HG2 ARG A 14 -0.546 7.749 -11.699 1.00 1.28 H new ATOM 0 HG3 ARG A 14 -1.265 9.252 -11.157 1.00 1.28 H new ATOM 0 HD2 ARG A 14 0.775 10.490 -11.662 1.00 1.42 H new ATOM 0 HD3 ARG A 14 1.648 9.009 -12.004 1.00 1.42 H new ATOM 0 HE ARG A 14 0.552 8.818 -14.095 1.00 1.82 H new ATOM 0 HH11 ARG A 14 -0.641 11.541 -12.187 1.00 2.63 H new ATOM 0 HH12 ARG A 14 -1.470 12.287 -13.557 1.00 2.63 H new ATOM 0 HH21 ARG A 14 -0.515 9.783 -15.847 1.00 2.82 H new ATOM 0 HH22 ARG A 14 -1.399 11.296 -15.620 1.00 2.82 H new ATOM 214 N LEU A 15 2.475 6.274 -10.294 1.00 0.43 N ATOM 215 CA LEU A 15 3.406 5.611 -11.198 1.00 0.46 C ATOM 216 C LEU A 15 3.354 4.099 -11.007 1.00 0.42 C ATOM 217 O LEU A 15 3.497 3.335 -11.962 1.00 0.44 O ATOM 218 CB LEU A 15 4.830 6.117 -10.957 1.00 0.54 C ATOM 219 CG LEU A 15 5.531 6.707 -12.186 1.00 0.64 C ATOM 220 CD1 LEU A 15 5.587 5.687 -13.313 1.00 1.44 C ATOM 221 CD2 LEU A 15 4.827 7.977 -12.644 1.00 1.51 C ATOM 0 H LEU A 15 2.920 6.761 -9.516 1.00 0.43 H new ATOM 0 HA LEU A 15 3.114 5.844 -12.222 1.00 0.46 H new ATOM 0 HB2 LEU A 15 4.801 6.877 -10.176 1.00 0.54 H new ATOM 0 HB3 LEU A 15 5.432 5.292 -10.577 1.00 0.54 H new ATOM 0 HG LEU A 15 6.553 6.963 -11.908 1.00 0.64 H new ATOM 0 HD11 LEU A 15 6.088 6.125 -14.176 1.00 1.44 H new ATOM 0 HD12 LEU A 15 6.139 4.808 -12.981 1.00 1.44 H new ATOM 0 HD13 LEU A 15 4.574 5.396 -13.591 1.00 1.44 H new ATOM 0 HD21 LEU A 15 5.338 8.382 -13.517 1.00 1.51 H new ATOM 0 HD22 LEU A 15 3.794 7.747 -12.903 1.00 1.51 H new ATOM 0 HD23 LEU A 15 4.844 8.713 -11.840 1.00 1.51 H new ATOM 233 N LEU A 16 3.153 3.679 -9.760 1.00 0.38 N ATOM 234 CA LEU A 16 3.078 2.262 -9.425 1.00 0.38 C ATOM 235 C LEU A 16 2.064 1.544 -10.318 1.00 0.36 C ATOM 236 O LEU A 16 0.875 1.860 -10.286 1.00 0.35 O ATOM 237 CB LEU A 16 2.689 2.087 -7.954 1.00 0.39 C ATOM 238 CG LEU A 16 3.841 2.182 -6.949 1.00 0.67 C ATOM 239 CD1 LEU A 16 4.711 0.937 -7.014 1.00 0.92 C ATOM 240 CD2 LEU A 16 4.678 3.429 -7.195 1.00 0.93 C ATOM 0 H LEU A 16 3.039 4.305 -8.962 1.00 0.38 H new ATOM 0 HA LEU A 16 4.061 1.821 -9.592 1.00 0.38 H new ATOM 0 HB2 LEU A 16 1.946 2.844 -7.701 1.00 0.39 H new ATOM 0 HB3 LEU A 16 2.208 1.116 -7.837 1.00 0.39 H new ATOM 0 HG LEU A 16 3.411 2.254 -5.950 1.00 0.67 H new ATOM 0 HD11 LEU A 16 5.524 1.023 -6.293 1.00 0.92 H new ATOM 0 HD12 LEU A 16 4.109 0.060 -6.779 1.00 0.92 H new ATOM 0 HD13 LEU A 16 5.125 0.834 -8.017 1.00 0.92 H new ATOM 0 HD21 LEU A 16 5.489 3.472 -6.468 1.00 0.93 H new ATOM 0 HD22 LEU A 16 5.095 3.395 -8.202 1.00 0.93 H new ATOM 0 HD23 LEU A 16 4.051 4.314 -7.092 1.00 0.93 H new ATOM 252 N PRO A 17 2.517 0.566 -11.130 1.00 0.38 N ATOM 253 CA PRO A 17 1.629 -0.185 -12.023 1.00 0.40 C ATOM 254 C PRO A 17 0.505 -0.876 -11.261 1.00 0.35 C ATOM 255 O PRO A 17 0.754 -1.737 -10.420 1.00 0.35 O ATOM 256 CB PRO A 17 2.554 -1.222 -12.670 1.00 0.46 C ATOM 257 CG PRO A 17 3.924 -0.654 -12.531 1.00 0.48 C ATOM 258 CD PRO A 17 3.917 0.118 -11.244 1.00 0.43 C ATOM 0 HA PRO A 17 1.134 0.464 -12.745 1.00 0.40 H new ATOM 0 HB2 PRO A 17 2.474 -2.188 -12.171 1.00 0.46 H new ATOM 0 HB3 PRO A 17 2.297 -1.382 -13.717 1.00 0.46 H new ATOM 0 HG2 PRO A 17 4.675 -1.444 -12.509 1.00 0.48 H new ATOM 0 HG3 PRO A 17 4.167 -0.007 -13.374 1.00 0.48 H new ATOM 0 HD2 PRO A 17 4.211 -0.505 -10.399 1.00 0.43 H new ATOM 0 HD3 PRO A 17 4.608 0.960 -11.275 1.00 0.43 H new ATOM 266 N LEU A 18 -0.731 -0.492 -11.559 1.00 0.40 N ATOM 267 CA LEU A 18 -1.897 -1.072 -10.901 1.00 0.41 C ATOM 268 C LEU A 18 -2.010 -2.579 -11.164 1.00 0.36 C ATOM 269 O LEU A 18 -2.182 -3.354 -10.224 1.00 0.37 O ATOM 270 CB LEU A 18 -3.178 -0.361 -11.356 1.00 0.51 C ATOM 271 CG LEU A 18 -4.158 0.011 -10.238 1.00 0.76 C ATOM 272 CD1 LEU A 18 -4.553 -1.220 -9.435 1.00 1.36 C ATOM 273 CD2 LEU A 18 -3.556 1.073 -9.328 1.00 1.64 C ATOM 0 H LEU A 18 -0.952 0.221 -12.254 1.00 0.40 H new ATOM 0 HA LEU A 18 -1.769 -0.930 -9.828 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -2.899 0.548 -11.888 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.695 -1.002 -12.070 1.00 0.51 H new ATOM 0 HG LEU A 18 -5.057 0.422 -10.697 1.00 0.76 H new ATOM 0 HD11 LEU A 18 -5.249 -0.932 -8.647 1.00 1.36 H new ATOM 0 HD12 LEU A 18 -5.030 -1.946 -10.093 1.00 1.36 H new ATOM 0 HD13 LEU A 18 -3.663 -1.664 -8.989 1.00 1.36 H new ATOM 0 HD21 LEU A 18 -4.267 1.323 -8.541 1.00 1.64 H new ATOM 0 HD22 LEU A 18 -2.639 0.691 -8.880 1.00 1.64 H new ATOM 0 HD23 LEU A 18 -3.330 1.966 -9.911 1.00 1.64 H new ATOM 285 N PRO A 19 -1.921 -3.025 -12.438 1.00 0.36 N ATOM 286 CA PRO A 19 -2.025 -4.451 -12.778 1.00 0.41 C ATOM 287 C PRO A 19 -1.007 -5.310 -12.032 1.00 0.39 C ATOM 288 O PRO A 19 -1.265 -6.478 -11.739 1.00 0.44 O ATOM 289 CB PRO A 19 -1.755 -4.497 -14.289 1.00 0.49 C ATOM 290 CG PRO A 19 -1.143 -3.179 -14.622 1.00 0.59 C ATOM 291 CD PRO A 19 -1.716 -2.200 -13.641 1.00 0.40 C ATOM 0 HA PRO A 19 -2.998 -4.853 -12.497 1.00 0.41 H new ATOM 0 HB2 PRO A 19 -1.084 -5.317 -14.543 1.00 0.49 H new ATOM 0 HB3 PRO A 19 -2.677 -4.655 -14.848 1.00 0.49 H new ATOM 0 HG2 PRO A 19 -0.057 -3.221 -14.542 1.00 0.59 H new ATOM 0 HG3 PRO A 19 -1.376 -2.888 -15.646 1.00 0.59 H new ATOM 0 HD2 PRO A 19 -1.034 -1.371 -13.452 1.00 0.40 H new ATOM 0 HD3 PRO A 19 -2.650 -1.768 -13.999 1.00 0.40 H new ATOM 299 N VAL A 20 0.147 -4.727 -11.725 1.00 0.38 N ATOM 300 CA VAL A 20 1.199 -5.445 -11.012 1.00 0.44 C ATOM 301 C VAL A 20 0.992 -5.364 -9.504 1.00 0.42 C ATOM 302 O VAL A 20 1.151 -6.354 -8.791 1.00 0.46 O ATOM 303 CB VAL A 20 2.593 -4.892 -11.361 1.00 0.51 C ATOM 304 CG1 VAL A 20 3.681 -5.710 -10.681 1.00 0.65 C ATOM 305 CG2 VAL A 20 2.797 -4.871 -12.868 1.00 0.56 C ATOM 0 H VAL A 20 0.378 -3.761 -11.958 1.00 0.38 H new ATOM 0 HA VAL A 20 1.143 -6.487 -11.328 1.00 0.44 H new ATOM 0 HB VAL A 20 2.658 -3.868 -10.993 1.00 0.51 H new ATOM 0 HG11 VAL A 20 4.658 -5.303 -10.941 1.00 0.65 H new ATOM 0 HG12 VAL A 20 3.546 -5.668 -9.600 1.00 0.65 H new ATOM 0 HG13 VAL A 20 3.619 -6.746 -11.014 1.00 0.65 H new ATOM 0 HG21 VAL A 20 3.788 -4.477 -13.096 1.00 0.56 H new ATOM 0 HG22 VAL A 20 2.710 -5.884 -13.261 1.00 0.56 H new ATOM 0 HG23 VAL A 20 2.040 -4.237 -13.329 1.00 0.56 H new ATOM 315 N ARG A 21 0.638 -4.176 -9.027 1.00 0.42 N ATOM 316 CA ARG A 21 0.406 -3.956 -7.603 1.00 0.46 C ATOM 317 C ARG A 21 -0.734 -4.834 -7.095 1.00 0.39 C ATOM 318 O ARG A 21 -0.740 -5.253 -5.937 1.00 0.38 O ATOM 319 CB ARG A 21 0.089 -2.482 -7.341 1.00 0.54 C ATOM 320 CG ARG A 21 1.003 -1.840 -6.310 1.00 1.17 C ATOM 321 CD ARG A 21 0.303 -0.708 -5.573 1.00 0.77 C ATOM 322 NE ARG A 21 -0.635 -1.205 -4.570 1.00 1.75 N ATOM 323 CZ ARG A 21 -0.266 -1.852 -3.468 1.00 2.57 C ATOM 324 NH1 ARG A 21 1.018 -2.087 -3.229 1.00 2.82 N ATOM 325 NH2 ARG A 21 -1.181 -2.264 -2.602 1.00 3.62 N ATOM 0 H ARG A 21 0.505 -3.348 -9.607 1.00 0.42 H new ATOM 0 HA ARG A 21 1.314 -4.227 -7.064 1.00 0.46 H new ATOM 0 HB2 ARG A 21 0.166 -1.930 -8.278 1.00 0.54 H new ATOM 0 HB3 ARG A 21 -0.944 -2.395 -7.004 1.00 0.54 H new ATOM 0 HG2 ARG A 21 1.332 -2.593 -5.594 1.00 1.17 H new ATOM 0 HG3 ARG A 21 1.897 -1.457 -6.803 1.00 1.17 H new ATOM 0 HD2 ARG A 21 1.047 -0.075 -5.091 1.00 0.77 H new ATOM 0 HD3 ARG A 21 -0.230 -0.084 -6.290 1.00 0.77 H new ATOM 0 HE ARG A 21 -1.631 -1.047 -4.723 1.00 1.75 H new ATOM 0 HH11 ARG A 21 1.726 -1.771 -3.892 1.00 2.82 H new ATOM 0 HH12 ARG A 21 1.297 -2.583 -2.383 1.00 2.82 H new ATOM 0 HH21 ARG A 21 -2.169 -2.085 -2.780 1.00 3.62 H new ATOM 0 HH22 ARG A 21 -0.897 -2.760 -1.757 1.00 3.62 H new ATOM 339 N ALA A 22 -1.699 -5.103 -7.970 1.00 0.40 N ATOM 340 CA ALA A 22 -2.849 -5.930 -7.620 1.00 0.40 C ATOM 341 C ALA A 22 -2.416 -7.316 -7.150 1.00 0.35 C ATOM 342 O ALA A 22 -3.209 -8.061 -6.574 1.00 0.37 O ATOM 343 CB ALA A 22 -3.793 -6.045 -8.806 1.00 0.48 C ATOM 0 H ALA A 22 -1.707 -4.759 -8.930 1.00 0.40 H new ATOM 0 HA ALA A 22 -3.372 -5.447 -6.795 1.00 0.40 H new ATOM 0 HB1 ALA A 22 -4.647 -6.664 -8.532 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -4.141 -5.052 -9.091 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -3.268 -6.501 -9.646 1.00 0.48 H new ATOM 349 N GLN A 23 -1.155 -7.656 -7.400 1.00 0.36 N ATOM 350 CA GLN A 23 -0.619 -8.954 -7.007 1.00 0.39 C ATOM 351 C GLN A 23 -0.537 -9.077 -5.488 1.00 0.34 C ATOM 352 O GLN A 23 -1.030 -10.046 -4.910 1.00 0.42 O ATOM 353 CB GLN A 23 0.764 -9.167 -7.624 1.00 0.49 C ATOM 354 CG GLN A 23 1.113 -10.629 -7.847 1.00 0.96 C ATOM 355 CD GLN A 23 1.839 -10.862 -9.158 1.00 1.44 C ATOM 356 OE1 GLN A 23 2.893 -10.280 -9.410 1.00 2.14 O ATOM 357 NE2 GLN A 23 1.276 -11.719 -10.002 1.00 2.10 N ATOM 0 H GLN A 23 -0.485 -7.050 -7.873 1.00 0.36 H new ATOM 0 HA GLN A 23 -1.297 -9.723 -7.377 1.00 0.39 H new ATOM 0 HB2 GLN A 23 0.812 -8.641 -8.578 1.00 0.49 H new ATOM 0 HB3 GLN A 23 1.515 -8.718 -6.974 1.00 0.49 H new ATOM 0 HG2 GLN A 23 1.736 -10.980 -7.024 1.00 0.96 H new ATOM 0 HG3 GLN A 23 0.199 -11.223 -7.831 1.00 0.96 H new ATOM 0 HE21 GLN A 23 0.401 -12.180 -9.753 1.00 2.10 H new ATOM 0 HE22 GLN A 23 1.719 -11.916 -10.899 1.00 2.10 H new ATOM 366 N LEU A 24 0.091 -8.095 -4.846 1.00 0.29 N ATOM 367 CA LEU A 24 0.230 -8.106 -3.394 1.00 0.30 C ATOM 368 C LEU A 24 -1.069 -7.684 -2.719 1.00 0.30 C ATOM 369 O LEU A 24 -1.329 -8.049 -1.573 1.00 0.31 O ATOM 370 CB LEU A 24 1.370 -7.187 -2.951 1.00 0.38 C ATOM 371 CG LEU A 24 1.638 -7.160 -1.441 1.00 0.43 C ATOM 372 CD1 LEU A 24 1.930 -8.557 -0.911 1.00 1.51 C ATOM 373 CD2 LEU A 24 2.794 -6.225 -1.127 1.00 1.40 C ATOM 0 H LEU A 24 0.509 -7.286 -5.306 1.00 0.29 H new ATOM 0 HA LEU A 24 0.464 -9.127 -3.091 1.00 0.30 H new ATOM 0 HB2 LEU A 24 2.283 -7.496 -3.460 1.00 0.38 H new ATOM 0 HB3 LEU A 24 1.147 -6.173 -3.282 1.00 0.38 H new ATOM 0 HG LEU A 24 0.740 -6.791 -0.945 1.00 0.43 H new ATOM 0 HD11 LEU A 24 2.116 -8.508 0.162 1.00 1.51 H new ATOM 0 HD12 LEU A 24 1.074 -9.205 -1.101 1.00 1.51 H new ATOM 0 HD13 LEU A 24 2.809 -8.960 -1.414 1.00 1.51 H new ATOM 0 HD21 LEU A 24 2.973 -6.216 -0.052 1.00 1.40 H new ATOM 0 HD22 LEU A 24 3.691 -6.570 -1.641 1.00 1.40 H new ATOM 0 HD23 LEU A 24 2.548 -5.217 -1.463 1.00 1.40 H new ATOM 385 N CYS A 25 -1.884 -6.912 -3.433 1.00 0.34 N ATOM 386 CA CYS A 25 -3.158 -6.457 -2.894 1.00 0.39 C ATOM 387 C CYS A 25 -4.024 -7.659 -2.542 1.00 0.39 C ATOM 388 O CYS A 25 -4.669 -7.693 -1.494 1.00 0.42 O ATOM 389 CB CYS A 25 -3.880 -5.562 -3.904 1.00 0.47 C ATOM 390 SG CYS A 25 -3.750 -3.794 -3.546 1.00 0.55 S ATOM 0 H CYS A 25 -1.685 -6.591 -4.380 1.00 0.34 H new ATOM 0 HA CYS A 25 -2.971 -5.874 -1.992 1.00 0.39 H new ATOM 0 HB2 CYS A 25 -3.474 -5.752 -4.897 1.00 0.47 H new ATOM 0 HB3 CYS A 25 -4.934 -5.840 -3.932 1.00 0.47 H new ATOM 0 HG CYS A 25 -3.916 -3.116 -4.643 1.00 0.55 H new ATOM 396 N ALA A 26 -4.027 -8.643 -3.433 1.00 0.40 N ATOM 397 CA ALA A 26 -4.785 -9.867 -3.224 1.00 0.45 C ATOM 398 C ALA A 26 -4.290 -10.596 -1.985 1.00 0.42 C ATOM 399 O ALA A 26 -5.074 -11.140 -1.209 1.00 0.46 O ATOM 400 CB ALA A 26 -4.651 -10.771 -4.437 1.00 0.52 C ATOM 0 H ALA A 26 -3.509 -8.615 -4.311 1.00 0.40 H new ATOM 0 HA ALA A 26 -5.833 -9.605 -3.081 1.00 0.45 H new ATOM 0 HB1 ALA A 26 -5.221 -11.686 -4.274 1.00 0.52 H new ATOM 0 HB2 ALA A 26 -5.035 -10.257 -5.318 1.00 0.52 H new ATOM 0 HB3 ALA A 26 -3.601 -11.020 -4.591 1.00 0.52 H new ATOM 406 N HIS A 27 -2.972 -10.599 -1.817 1.00 0.37 N ATOM 407 CA HIS A 27 -2.333 -11.254 -0.685 1.00 0.37 C ATOM 408 C HIS A 27 -2.815 -10.668 0.638 1.00 0.38 C ATOM 409 O HIS A 27 -3.291 -11.392 1.513 1.00 0.44 O ATOM 410 CB HIS A 27 -0.816 -11.100 -0.798 1.00 0.37 C ATOM 411 CG HIS A 27 -0.063 -11.646 0.377 1.00 0.42 C ATOM 412 ND1 HIS A 27 0.545 -11.018 1.412 1.00 0.62 N flip ATOM 413 CD2 HIS A 27 0.133 -12.995 0.582 1.00 0.55 C flip ATOM 414 CE1 HIS A 27 1.090 -11.991 2.213 1.00 0.72 C flip ATOM 415 NE2 HIS A 27 0.827 -13.175 1.692 1.00 0.68 N flip ATOM 0 H HIS A 27 -2.320 -10.149 -2.460 1.00 0.37 H new ATOM 0 HA HIS A 27 -2.601 -12.310 -0.703 1.00 0.37 H new ATOM 0 HB2 HIS A 27 -0.475 -11.605 -1.702 1.00 0.37 H new ATOM 0 HB3 HIS A 27 -0.575 -10.043 -0.913 1.00 0.37 H new ATOM 0 HD2 HIS A 27 -0.225 -13.783 -0.064 1.00 0.55 H new ATOM 0 HE1 HIS A 27 1.645 -11.816 3.123 1.00 0.72 H new ATOM 0 HE2 HIS A 27 1.111 -14.075 2.080 1.00 0.68 H new ATOM 424 N LEU A 28 -2.688 -9.353 0.775 1.00 0.37 N ATOM 425 CA LEU A 28 -3.102 -8.663 1.990 1.00 0.45 C ATOM 426 C LEU A 28 -4.572 -8.923 2.293 1.00 0.49 C ATOM 427 O LEU A 28 -4.950 -9.139 3.445 1.00 0.51 O ATOM 428 CB LEU A 28 -2.856 -7.157 1.850 1.00 0.51 C ATOM 429 CG LEU A 28 -1.438 -6.685 2.188 1.00 0.56 C ATOM 430 CD1 LEU A 28 -1.205 -6.724 3.690 1.00 1.09 C ATOM 431 CD2 LEU A 28 -0.396 -7.527 1.463 1.00 0.99 C ATOM 0 H LEU A 28 -2.300 -8.742 0.056 1.00 0.37 H new ATOM 0 HA LEU A 28 -2.508 -9.049 2.818 1.00 0.45 H new ATOM 0 HB2 LEU A 28 -3.083 -6.863 0.825 1.00 0.51 H new ATOM 0 HB3 LEU A 28 -3.559 -6.630 2.496 1.00 0.51 H new ATOM 0 HG LEU A 28 -1.335 -5.654 1.849 1.00 0.56 H new ATOM 0 HD11 LEU A 28 -0.193 -6.385 3.910 1.00 1.09 H new ATOM 0 HD12 LEU A 28 -1.922 -6.070 4.187 1.00 1.09 H new ATOM 0 HD13 LEU A 28 -1.333 -7.744 4.052 1.00 1.09 H new ATOM 0 HD21 LEU A 28 0.602 -7.172 1.720 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.498 -8.570 1.763 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.545 -7.443 0.387 1.00 0.99 H new ATOM 443 N ASP A 29 -5.398 -8.903 1.254 1.00 0.60 N ATOM 444 CA ASP A 29 -6.826 -9.139 1.412 1.00 0.69 C ATOM 445 C ASP A 29 -7.103 -10.618 1.664 1.00 0.57 C ATOM 446 O ASP A 29 -8.124 -10.976 2.254 1.00 0.55 O ATOM 447 CB ASP A 29 -7.584 -8.667 0.170 1.00 0.94 C ATOM 448 CG ASP A 29 -9.065 -8.981 0.241 1.00 0.97 C ATOM 449 OD1 ASP A 29 -9.730 -8.499 1.182 1.00 1.20 O ATOM 450 OD2 ASP A 29 -9.560 -9.708 -0.646 1.00 1.12 O ATOM 0 H ASP A 29 -5.103 -8.726 0.294 1.00 0.60 H new ATOM 0 HA ASP A 29 -7.173 -8.570 2.274 1.00 0.69 H new ATOM 0 HB2 ASP A 29 -7.449 -7.592 0.052 1.00 0.94 H new ATOM 0 HB3 ASP A 29 -7.157 -9.141 -0.714 1.00 0.94 H new ATOM 455 N ALA A 30 -6.187 -11.472 1.215 1.00 0.56 N ATOM 456 CA ALA A 30 -6.330 -12.912 1.395 1.00 0.58 C ATOM 457 C ALA A 30 -6.195 -13.284 2.865 1.00 0.46 C ATOM 458 O ALA A 30 -6.843 -14.214 3.345 1.00 0.54 O ATOM 459 CB ALA A 30 -5.297 -13.656 0.561 1.00 0.68 C ATOM 0 H ALA A 30 -5.338 -11.191 0.724 1.00 0.56 H new ATOM 0 HA ALA A 30 -7.324 -13.204 1.057 1.00 0.58 H new ATOM 0 HB1 ALA A 30 -5.417 -14.730 0.706 1.00 0.68 H new ATOM 0 HB2 ALA A 30 -5.438 -13.414 -0.493 1.00 0.68 H new ATOM 0 HB3 ALA A 30 -4.296 -13.357 0.871 1.00 0.68 H new ATOM 465 N LEU A 31 -5.346 -12.546 3.574 1.00 0.37 N ATOM 466 CA LEU A 31 -5.126 -12.782 4.994 1.00 0.40 C ATOM 467 C LEU A 31 -6.338 -12.336 5.807 1.00 0.40 C ATOM 468 O LEU A 31 -6.333 -12.403 7.036 1.00 0.45 O ATOM 469 CB LEU A 31 -3.877 -12.039 5.468 1.00 0.45 C ATOM 470 CG LEU A 31 -2.609 -12.891 5.536 1.00 0.64 C ATOM 471 CD1 LEU A 31 -2.015 -13.076 4.149 1.00 1.10 C ATOM 472 CD2 LEU A 31 -1.595 -12.259 6.474 1.00 1.16 C ATOM 0 H LEU A 31 -4.799 -11.778 3.186 1.00 0.37 H new ATOM 0 HA LEU A 31 -4.980 -13.852 5.145 1.00 0.40 H new ATOM 0 HB2 LEU A 31 -3.697 -11.198 4.799 1.00 0.45 H new ATOM 0 HB3 LEU A 31 -4.072 -11.624 6.457 1.00 0.45 H new ATOM 0 HG LEU A 31 -2.873 -13.873 5.928 1.00 0.64 H new ATOM 0 HD11 LEU A 31 -1.113 -13.685 4.218 1.00 1.10 H new ATOM 0 HD12 LEU A 31 -2.741 -13.574 3.506 1.00 1.10 H new ATOM 0 HD13 LEU A 31 -1.764 -12.102 3.728 1.00 1.10 H new ATOM 0 HD21 LEU A 31 -0.698 -12.878 6.511 1.00 1.16 H new ATOM 0 HD22 LEU A 31 -1.335 -11.264 6.112 1.00 1.16 H new ATOM 0 HD23 LEU A 31 -2.023 -12.181 7.473 1.00 1.16 H new ATOM 484 N ASP A 32 -7.373 -11.879 5.103 1.00 0.40 N ATOM 485 CA ASP A 32 -8.599 -11.416 5.741 1.00 0.46 C ATOM 486 C ASP A 32 -8.321 -10.228 6.656 1.00 0.46 C ATOM 487 O ASP A 32 -8.836 -10.157 7.772 1.00 0.57 O ATOM 488 CB ASP A 32 -9.256 -12.549 6.533 1.00 0.52 C ATOM 489 CG ASP A 32 -9.484 -13.788 5.690 1.00 1.20 C ATOM 490 OD1 ASP A 32 -9.722 -13.641 4.472 1.00 1.57 O ATOM 491 OD2 ASP A 32 -9.426 -14.905 6.246 1.00 2.03 O ATOM 0 H ASP A 32 -7.384 -11.820 4.085 1.00 0.40 H new ATOM 0 HA ASP A 32 -9.284 -11.094 4.957 1.00 0.46 H new ATOM 0 HB2 ASP A 32 -8.627 -12.804 7.386 1.00 0.52 H new ATOM 0 HB3 ASP A 32 -10.210 -12.204 6.932 1.00 0.52 H new ATOM 496 N VAL A 33 -7.506 -9.295 6.172 1.00 0.42 N ATOM 497 CA VAL A 33 -7.161 -8.111 6.947 1.00 0.43 C ATOM 498 C VAL A 33 -7.251 -6.845 6.098 1.00 0.42 C ATOM 499 O VAL A 33 -6.258 -6.154 5.882 1.00 0.52 O ATOM 500 CB VAL A 33 -5.747 -8.217 7.557 1.00 0.48 C ATOM 501 CG1 VAL A 33 -5.713 -9.285 8.638 1.00 0.54 C ATOM 502 CG2 VAL A 33 -4.710 -8.508 6.478 1.00 0.50 C ATOM 0 H VAL A 33 -7.074 -9.337 5.249 1.00 0.42 H new ATOM 0 HA VAL A 33 -7.887 -8.050 7.758 1.00 0.43 H new ATOM 0 HB VAL A 33 -5.499 -7.258 8.012 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -4.709 -9.346 9.057 1.00 0.54 H new ATOM 0 HG12 VAL A 33 -6.420 -9.027 9.426 1.00 0.54 H new ATOM 0 HG13 VAL A 33 -5.986 -10.248 8.207 1.00 0.54 H new ATOM 0 HG21 VAL A 33 -3.722 -8.578 6.933 1.00 0.50 H new ATOM 0 HG22 VAL A 33 -4.951 -9.451 5.986 1.00 0.50 H new ATOM 0 HG23 VAL A 33 -4.715 -7.704 5.742 1.00 0.50 H new ATOM 512 N TRP A 34 -8.444 -6.550 5.603 1.00 0.39 N ATOM 513 CA TRP A 34 -8.652 -5.349 4.806 1.00 0.38 C ATOM 514 C TRP A 34 -8.981 -4.182 5.728 1.00 0.33 C ATOM 515 O TRP A 34 -8.710 -3.022 5.413 1.00 0.34 O ATOM 516 CB TRP A 34 -9.770 -5.564 3.783 1.00 0.40 C ATOM 517 CG TRP A 34 -11.126 -5.728 4.399 1.00 0.39 C ATOM 518 CD1 TRP A 34 -11.662 -6.875 4.909 1.00 0.47 C ATOM 519 CD2 TRP A 34 -12.120 -4.711 4.566 1.00 0.37 C ATOM 520 NE1 TRP A 34 -12.928 -6.633 5.384 1.00 0.50 N ATOM 521 CE2 TRP A 34 -13.233 -5.312 5.184 1.00 0.44 C ATOM 522 CE3 TRP A 34 -12.176 -3.351 4.251 1.00 0.38 C ATOM 523 CZ2 TRP A 34 -14.388 -4.598 5.495 1.00 0.50 C ATOM 524 CZ3 TRP A 34 -13.323 -2.643 4.560 1.00 0.45 C ATOM 525 CH2 TRP A 34 -14.415 -3.268 5.176 1.00 0.50 C ATOM 0 H TRP A 34 -9.278 -7.121 5.738 1.00 0.39 H new ATOM 0 HA TRP A 34 -7.739 -5.123 4.256 1.00 0.38 H new ATOM 0 HB2 TRP A 34 -9.792 -4.716 3.098 1.00 0.40 H new ATOM 0 HB3 TRP A 34 -9.541 -6.448 3.188 1.00 0.40 H new ATOM 0 HD1 TRP A 34 -11.164 -7.833 4.935 1.00 0.47 H new ATOM 0 HE1 TRP A 34 -13.541 -7.324 5.816 1.00 0.50 H new ATOM 0 HE3 TRP A 34 -11.339 -2.862 3.775 1.00 0.38 H new ATOM 0 HZ2 TRP A 34 -15.231 -5.077 5.971 1.00 0.50 H new ATOM 0 HZ3 TRP A 34 -13.378 -1.591 4.323 1.00 0.45 H new ATOM 0 HH2 TRP A 34 -15.297 -2.688 5.404 1.00 0.50 H new ATOM 536 N GLN A 35 -9.569 -4.512 6.873 1.00 0.32 N ATOM 537 CA GLN A 35 -9.933 -3.522 7.877 1.00 0.33 C ATOM 538 C GLN A 35 -8.688 -2.874 8.475 1.00 0.32 C ATOM 539 O GLN A 35 -8.727 -1.736 8.940 1.00 0.35 O ATOM 540 CB GLN A 35 -10.751 -4.183 8.986 1.00 0.38 C ATOM 541 CG GLN A 35 -10.096 -5.428 9.564 1.00 1.12 C ATOM 542 CD GLN A 35 -10.984 -6.653 9.469 1.00 1.61 C ATOM 543 OE1 GLN A 35 -11.197 -7.138 8.252 1.00 2.15 O flip ATOM 544 NE2 GLN A 35 -11.473 -7.159 10.479 1.00 2.32 N flip ATOM 0 H GLN A 35 -9.806 -5.470 7.130 1.00 0.32 H new ATOM 0 HA GLN A 35 -10.530 -2.748 7.395 1.00 0.33 H new ATOM 0 HB2 GLN A 35 -10.912 -3.462 9.787 1.00 0.38 H new ATOM 0 HB3 GLN A 35 -11.733 -4.448 8.594 1.00 0.38 H new ATOM 0 HG2 GLN A 35 -9.161 -5.620 9.037 1.00 1.12 H new ATOM 0 HG3 GLN A 35 -9.842 -5.248 10.609 1.00 1.12 H new ATOM 0 HE21 GLN A 35 -11.283 -6.754 11.396 1.00 2.32 H new ATOM 0 HE22 GLN A 35 -12.068 -7.984 10.399 1.00 2.32 H new ATOM 553 N GLN A 36 -7.586 -3.617 8.457 1.00 0.33 N ATOM 554 CA GLN A 36 -6.320 -3.135 9.003 1.00 0.38 C ATOM 555 C GLN A 36 -5.742 -2.013 8.150 1.00 0.37 C ATOM 556 O GLN A 36 -5.101 -1.102 8.668 1.00 0.46 O ATOM 557 CB GLN A 36 -5.315 -4.283 9.101 1.00 0.45 C ATOM 558 CG GLN A 36 -4.758 -4.689 7.757 1.00 1.54 C ATOM 559 CD GLN A 36 -3.293 -4.348 7.585 1.00 2.38 C ATOM 560 OE1 GLN A 36 -2.707 -3.633 8.397 1.00 3.29 O ATOM 561 NE2 GLN A 36 -2.693 -4.864 6.517 1.00 2.41 N ATOM 0 H GLN A 36 -7.543 -4.559 8.069 1.00 0.33 H new ATOM 0 HA GLN A 36 -6.515 -2.740 10.000 1.00 0.38 H new ATOM 0 HB2 GLN A 36 -4.495 -3.987 9.755 1.00 0.45 H new ATOM 0 HB3 GLN A 36 -5.797 -5.144 9.564 1.00 0.45 H new ATOM 0 HG2 GLN A 36 -4.891 -5.763 7.626 1.00 1.54 H new ATOM 0 HG3 GLN A 36 -5.332 -4.199 6.971 1.00 1.54 H new ATOM 0 HE21 GLN A 36 -3.219 -5.452 5.871 1.00 2.41 H new ATOM 0 HE22 GLN A 36 -1.706 -4.672 6.344 1.00 2.41 H new ATOM 570 N LEU A 37 -5.975 -2.080 6.844 1.00 0.37 N ATOM 571 CA LEU A 37 -5.468 -1.068 5.927 1.00 0.40 C ATOM 572 C LEU A 37 -6.191 0.259 6.129 1.00 0.38 C ATOM 573 O LEU A 37 -5.571 1.271 6.454 1.00 0.42 O ATOM 574 CB LEU A 37 -5.622 -1.543 4.481 1.00 0.43 C ATOM 575 CG LEU A 37 -4.685 -2.684 4.079 1.00 0.46 C ATOM 576 CD1 LEU A 37 -5.468 -3.824 3.446 1.00 0.49 C ATOM 577 CD2 LEU A 37 -3.606 -2.177 3.132 1.00 0.65 C ATOM 0 H LEU A 37 -6.511 -2.824 6.398 1.00 0.37 H new ATOM 0 HA LEU A 37 -4.410 -0.913 6.137 1.00 0.40 H new ATOM 0 HB2 LEU A 37 -6.652 -1.865 4.327 1.00 0.43 H new ATOM 0 HB3 LEU A 37 -5.449 -0.698 3.815 1.00 0.43 H new ATOM 0 HG LEU A 37 -4.200 -3.065 4.978 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.783 -4.625 3.167 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.199 -4.204 4.160 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.983 -3.462 2.557 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.948 -3.001 2.856 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -4.072 -1.768 2.235 1.00 0.65 H new ATOM 0 HD23 LEU A 37 -3.025 -1.398 3.626 1.00 0.65 H new ATOM 589 N ALA A 38 -7.504 0.248 5.921 1.00 0.36 N ATOM 590 CA ALA A 38 -8.321 1.444 6.086 1.00 0.37 C ATOM 591 C ALA A 38 -8.086 2.103 7.443 1.00 0.36 C ATOM 592 O ALA A 38 -7.740 3.282 7.522 1.00 0.41 O ATOM 593 CB ALA A 38 -9.794 1.100 5.914 1.00 0.39 C ATOM 0 H ALA A 38 -8.026 -0.581 5.636 1.00 0.36 H new ATOM 0 HA ALA A 38 -8.027 2.158 5.317 1.00 0.37 H new ATOM 0 HB1 ALA A 38 -10.395 2.001 6.039 1.00 0.39 H new ATOM 0 HB2 ALA A 38 -9.958 0.690 4.917 1.00 0.39 H new ATOM 0 HB3 ALA A 38 -10.085 0.363 6.662 1.00 0.39 H new ATOM 599 N THR A 39 -8.276 1.331 8.509 1.00 0.33 N ATOM 600 CA THR A 39 -8.099 1.833 9.869 1.00 0.36 C ATOM 601 C THR A 39 -6.673 2.324 10.116 1.00 0.37 C ATOM 602 O THR A 39 -6.464 3.281 10.862 1.00 0.40 O ATOM 603 CB THR A 39 -8.445 0.753 10.911 1.00 0.39 C ATOM 604 OG1 THR A 39 -9.764 0.245 10.670 1.00 0.36 O ATOM 605 CG2 THR A 39 -8.362 1.311 12.324 1.00 0.51 C ATOM 0 H THR A 39 -8.554 0.351 8.457 1.00 0.33 H new ATOM 0 HA THR A 39 -8.782 2.675 9.977 1.00 0.36 H new ATOM 0 HB THR A 39 -7.720 -0.055 10.816 1.00 0.39 H new ATOM 0 HG1 THR A 39 -9.713 -0.523 10.063 1.00 0.36 H new ATOM 0 HG21 THR A 39 -8.611 0.528 13.040 1.00 0.51 H new ATOM 0 HG22 THR A 39 -7.350 1.669 12.515 1.00 0.51 H new ATOM 0 HG23 THR A 39 -9.065 2.137 12.431 1.00 0.51 H new ATOM 613 N ALA A 40 -5.696 1.666 9.495 1.00 0.38 N ATOM 614 CA ALA A 40 -4.295 2.052 9.662 1.00 0.43 C ATOM 615 C ALA A 40 -4.089 3.526 9.335 1.00 0.42 C ATOM 616 O ALA A 40 -3.278 4.204 9.965 1.00 0.47 O ATOM 617 CB ALA A 40 -3.394 1.192 8.788 1.00 0.47 C ATOM 0 H ALA A 40 -5.846 0.869 8.876 1.00 0.38 H new ATOM 0 HA ALA A 40 -4.028 1.892 10.707 1.00 0.43 H new ATOM 0 HB1 ALA A 40 -2.356 1.495 8.927 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -3.507 0.145 9.068 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -3.673 1.320 7.742 1.00 0.47 H new ATOM 623 N VAL A 41 -4.828 4.016 8.345 1.00 0.38 N ATOM 624 CA VAL A 41 -4.731 5.411 7.937 1.00 0.40 C ATOM 625 C VAL A 41 -5.952 6.198 8.401 1.00 0.41 C ATOM 626 O VAL A 41 -6.083 7.388 8.113 1.00 0.47 O ATOM 627 CB VAL A 41 -4.592 5.545 6.408 1.00 0.42 C ATOM 628 CG1 VAL A 41 -3.267 4.965 5.939 1.00 0.50 C ATOM 629 CG2 VAL A 41 -5.758 4.865 5.703 1.00 0.45 C ATOM 0 H VAL A 41 -5.501 3.466 7.811 1.00 0.38 H new ATOM 0 HA VAL A 41 -3.836 5.819 8.407 1.00 0.40 H new ATOM 0 HB VAL A 41 -4.610 6.604 6.152 1.00 0.42 H new ATOM 0 HG11 VAL A 41 -3.187 5.069 4.857 1.00 0.50 H new ATOM 0 HG12 VAL A 41 -2.446 5.500 6.416 1.00 0.50 H new ATOM 0 HG13 VAL A 41 -3.217 3.910 6.207 1.00 0.50 H new ATOM 0 HG21 VAL A 41 -5.642 4.970 4.624 1.00 0.45 H new ATOM 0 HG22 VAL A 41 -5.774 3.807 5.965 1.00 0.45 H new ATOM 0 HG23 VAL A 41 -6.693 5.330 6.015 1.00 0.45 H new ATOM 639 N LYS A 42 -6.842 5.518 9.122 1.00 0.38 N ATOM 640 CA LYS A 42 -8.061 6.139 9.636 1.00 0.41 C ATOM 641 C LYS A 42 -8.905 6.704 8.500 1.00 0.43 C ATOM 642 O LYS A 42 -8.679 7.824 8.042 1.00 0.53 O ATOM 643 CB LYS A 42 -7.717 7.247 10.635 1.00 0.51 C ATOM 644 CG LYS A 42 -8.936 7.876 11.287 1.00 0.77 C ATOM 645 CD LYS A 42 -9.365 7.106 12.526 1.00 1.05 C ATOM 646 CE LYS A 42 -10.790 6.595 12.397 1.00 1.32 C ATOM 647 NZ LYS A 42 -11.765 7.708 12.226 1.00 2.14 N ATOM 0 H LYS A 42 -6.741 4.532 9.364 1.00 0.38 H new ATOM 0 HA LYS A 42 -8.641 5.370 10.147 1.00 0.41 H new ATOM 0 HB2 LYS A 42 -7.071 6.837 11.411 1.00 0.51 H new ATOM 0 HB3 LYS A 42 -7.148 8.023 10.123 1.00 0.51 H new ATOM 0 HG2 LYS A 42 -8.713 8.908 11.558 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -9.758 7.904 10.572 1.00 0.77 H new ATOM 0 HD2 LYS A 42 -8.689 6.266 12.686 1.00 1.05 H new ATOM 0 HD3 LYS A 42 -9.286 7.750 13.402 1.00 1.05 H new ATOM 0 HE2 LYS A 42 -10.858 5.919 11.545 1.00 1.32 H new ATOM 0 HE3 LYS A 42 -11.050 6.017 13.284 1.00 1.32 H new ATOM 0 HZ1 LYS A 42 -12.699 7.408 12.573 1.00 2.14 H new ATOM 0 HZ2 LYS A 42 -11.445 8.536 12.767 1.00 2.14 H new ATOM 0 HZ3 LYS A 42 -11.834 7.958 11.219 1.00 2.14 H new ATOM 661 N LEU A 43 -9.886 5.925 8.053 1.00 0.41 N ATOM 662 CA LEU A 43 -10.761 6.352 6.966 1.00 0.49 C ATOM 663 C LEU A 43 -12.191 6.541 7.456 1.00 0.49 C ATOM 664 O LEU A 43 -12.589 5.972 8.473 1.00 0.52 O ATOM 665 CB LEU A 43 -10.729 5.331 5.828 1.00 0.56 C ATOM 666 CG LEU A 43 -9.902 5.746 4.610 1.00 0.63 C ATOM 667 CD1 LEU A 43 -9.549 4.530 3.768 1.00 0.78 C ATOM 668 CD2 LEU A 43 -10.656 6.772 3.778 1.00 1.03 C ATOM 0 H LEU A 43 -10.094 4.998 8.425 1.00 0.41 H new ATOM 0 HA LEU A 43 -10.396 7.310 6.597 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -10.333 4.392 6.214 1.00 0.56 H new ATOM 0 HB3 LEU A 43 -11.752 5.137 5.505 1.00 0.56 H new ATOM 0 HG LEU A 43 -8.976 6.202 4.960 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -8.961 4.843 2.905 1.00 0.78 H new ATOM 0 HD12 LEU A 43 -8.969 3.828 4.367 1.00 0.78 H new ATOM 0 HD13 LEU A 43 -10.464 4.046 3.427 1.00 0.78 H new ATOM 0 HD21 LEU A 43 -10.053 7.056 2.916 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -11.598 6.342 3.436 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -10.859 7.654 4.385 1.00 1.03 H new ATOM 680 N TYR A 44 -12.960 7.346 6.728 1.00 0.50 N ATOM 681 CA TYR A 44 -14.347 7.607 7.090 1.00 0.53 C ATOM 682 C TYR A 44 -15.199 6.353 6.891 1.00 0.48 C ATOM 683 O TYR A 44 -15.123 5.708 5.846 1.00 0.48 O ATOM 684 CB TYR A 44 -14.907 8.758 6.253 1.00 0.60 C ATOM 685 CG TYR A 44 -14.358 10.112 6.642 1.00 0.74 C ATOM 686 CD1 TYR A 44 -14.897 10.822 7.709 1.00 0.94 C ATOM 687 CD2 TYR A 44 -13.301 10.682 5.943 1.00 0.91 C ATOM 688 CE1 TYR A 44 -14.398 12.060 8.066 1.00 1.14 C ATOM 689 CE2 TYR A 44 -12.797 11.920 6.295 1.00 1.10 C ATOM 690 CZ TYR A 44 -13.349 12.603 7.361 1.00 1.16 C ATOM 691 OH TYR A 44 -12.850 13.837 7.711 1.00 1.41 O ATOM 0 H TYR A 44 -12.645 7.827 5.886 1.00 0.50 H new ATOM 0 HA TYR A 44 -14.379 7.887 8.143 1.00 0.53 H new ATOM 0 HB2 TYR A 44 -14.685 8.573 5.202 1.00 0.60 H new ATOM 0 HB3 TYR A 44 -15.992 8.773 6.352 1.00 0.60 H new ATOM 0 HD1 TYR A 44 -15.719 10.399 8.268 1.00 0.94 H new ATOM 0 HD2 TYR A 44 -12.866 10.149 5.111 1.00 0.91 H new ATOM 0 HE1 TYR A 44 -14.830 12.600 8.896 1.00 1.14 H new ATOM 0 HE2 TYR A 44 -11.977 12.351 5.740 1.00 1.10 H new ATOM 0 HH TYR A 44 -12.111 14.073 7.113 1.00 1.41 H new ATOM 701 N PRO A 45 -16.024 5.989 7.893 1.00 0.62 N ATOM 702 CA PRO A 45 -16.882 4.798 7.818 1.00 0.65 C ATOM 703 C PRO A 45 -17.816 4.821 6.611 1.00 0.65 C ATOM 704 O PRO A 45 -18.361 3.788 6.221 1.00 0.70 O ATOM 705 CB PRO A 45 -17.683 4.848 9.123 1.00 0.86 C ATOM 706 CG PRO A 45 -16.846 5.668 10.044 1.00 1.32 C ATOM 707 CD PRO A 45 -16.188 6.699 9.176 1.00 0.87 C ATOM 0 HA PRO A 45 -16.297 3.886 7.699 1.00 0.65 H new ATOM 0 HB2 PRO A 45 -18.663 5.299 8.970 1.00 0.86 H new ATOM 0 HB3 PRO A 45 -17.851 3.848 9.524 1.00 0.86 H new ATOM 0 HG2 PRO A 45 -17.456 6.137 10.816 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -16.104 5.052 10.553 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -16.805 7.591 9.069 1.00 0.87 H new ATOM 0 HD3 PRO A 45 -15.231 7.021 9.585 1.00 0.87 H new ATOM 715 N ASP A 46 -17.998 6.000 6.023 1.00 0.67 N ATOM 716 CA ASP A 46 -18.864 6.143 4.857 1.00 0.74 C ATOM 717 C ASP A 46 -18.129 5.723 3.588 1.00 0.69 C ATOM 718 O ASP A 46 -18.730 5.182 2.660 1.00 0.76 O ATOM 719 CB ASP A 46 -19.362 7.586 4.731 1.00 0.89 C ATOM 720 CG ASP A 46 -18.326 8.513 4.121 1.00 1.26 C ATOM 721 OD1 ASP A 46 -18.207 8.537 2.878 1.00 2.01 O ATOM 722 OD2 ASP A 46 -17.636 9.217 4.888 1.00 1.77 O ATOM 0 H ASP A 46 -17.559 6.867 6.333 1.00 0.67 H new ATOM 0 HA ASP A 46 -19.726 5.489 4.989 1.00 0.74 H new ATOM 0 HB2 ASP A 46 -20.264 7.603 4.119 1.00 0.89 H new ATOM 0 HB3 ASP A 46 -19.640 7.957 5.717 1.00 0.89 H new ATOM 727 N GLN A 47 -16.824 5.978 3.555 1.00 0.63 N ATOM 728 CA GLN A 47 -16.004 5.616 2.405 1.00 0.68 C ATOM 729 C GLN A 47 -15.696 4.123 2.425 1.00 0.61 C ATOM 730 O GLN A 47 -15.521 3.499 1.378 1.00 0.65 O ATOM 731 CB GLN A 47 -14.701 6.419 2.398 1.00 0.75 C ATOM 732 CG GLN A 47 -14.896 7.904 2.657 1.00 0.78 C ATOM 733 CD GLN A 47 -14.686 8.747 1.415 1.00 1.21 C ATOM 734 OE1 GLN A 47 -15.643 9.170 0.768 1.00 1.94 O ATOM 735 NE2 GLN A 47 -13.426 8.996 1.074 1.00 1.56 N ATOM 0 H GLN A 47 -16.313 6.434 4.311 1.00 0.63 H new ATOM 0 HA GLN A 47 -16.562 5.851 1.499 1.00 0.68 H new ATOM 0 HB2 GLN A 47 -14.030 6.012 3.155 1.00 0.75 H new ATOM 0 HB3 GLN A 47 -14.210 6.289 1.434 1.00 0.75 H new ATOM 0 HG2 GLN A 47 -15.903 8.073 3.040 1.00 0.78 H new ATOM 0 HG3 GLN A 47 -14.202 8.228 3.432 1.00 0.78 H new ATOM 0 HE21 GLN A 47 -12.662 8.625 1.639 1.00 1.56 H new ATOM 0 HE22 GLN A 47 -13.223 9.558 0.247 1.00 1.56 H new ATOM 744 N VAL A 48 -15.630 3.559 3.628 1.00 0.57 N ATOM 745 CA VAL A 48 -15.353 2.138 3.795 1.00 0.57 C ATOM 746 C VAL A 48 -16.471 1.298 3.188 1.00 0.55 C ATOM 747 O VAL A 48 -16.237 0.191 2.703 1.00 0.51 O ATOM 748 CB VAL A 48 -15.192 1.771 5.284 1.00 0.61 C ATOM 749 CG1 VAL A 48 -14.921 0.283 5.448 1.00 0.88 C ATOM 750 CG2 VAL A 48 -14.083 2.593 5.919 1.00 0.75 C ATOM 0 H VAL A 48 -15.765 4.067 4.502 1.00 0.57 H new ATOM 0 HA VAL A 48 -14.417 1.925 3.278 1.00 0.57 H new ATOM 0 HB VAL A 48 -16.126 2.002 5.795 1.00 0.61 H new ATOM 0 HG11 VAL A 48 -14.811 0.048 6.507 1.00 0.88 H new ATOM 0 HG12 VAL A 48 -15.753 -0.286 5.034 1.00 0.88 H new ATOM 0 HG13 VAL A 48 -14.004 0.020 4.921 1.00 0.88 H new ATOM 0 HG21 VAL A 48 -13.984 2.320 6.970 1.00 0.75 H new ATOM 0 HG22 VAL A 48 -13.143 2.396 5.403 1.00 0.75 H new ATOM 0 HG23 VAL A 48 -14.325 3.653 5.840 1.00 0.75 H new ATOM 760 N GLU A 49 -17.685 1.837 3.220 1.00 0.60 N ATOM 761 CA GLU A 49 -18.848 1.147 2.676 1.00 0.63 C ATOM 762 C GLU A 49 -18.657 0.845 1.194 1.00 0.57 C ATOM 763 O GLU A 49 -19.079 -0.203 0.704 1.00 0.57 O ATOM 764 CB GLU A 49 -20.105 1.995 2.878 1.00 0.73 C ATOM 765 CG GLU A 49 -21.333 1.184 3.257 1.00 0.87 C ATOM 766 CD GLU A 49 -21.413 0.907 4.746 1.00 1.55 C ATOM 767 OE1 GLU A 49 -21.146 1.836 5.537 1.00 1.73 O ATOM 768 OE2 GLU A 49 -21.745 -0.238 5.120 1.00 2.44 O ATOM 0 H GLU A 49 -17.889 2.753 3.619 1.00 0.60 H new ATOM 0 HA GLU A 49 -18.963 0.202 3.208 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -19.913 2.733 3.656 1.00 0.73 H new ATOM 0 HB3 GLU A 49 -20.313 2.546 1.961 1.00 0.73 H new ATOM 0 HG2 GLU A 49 -22.229 1.720 2.942 1.00 0.87 H new ATOM 0 HG3 GLU A 49 -21.320 0.238 2.715 1.00 0.87 H new ATOM 775 N GLN A 50 -18.018 1.769 0.486 1.00 0.56 N ATOM 776 CA GLN A 50 -17.771 1.608 -0.942 1.00 0.55 C ATOM 777 C GLN A 50 -16.928 0.367 -1.222 1.00 0.48 C ATOM 778 O GLN A 50 -17.271 -0.447 -2.079 1.00 0.56 O ATOM 779 CB GLN A 50 -17.072 2.847 -1.503 1.00 0.59 C ATOM 780 CG GLN A 50 -17.716 3.387 -2.768 1.00 0.91 C ATOM 781 CD GLN A 50 -16.696 3.824 -3.801 1.00 1.33 C ATOM 782 OE1 GLN A 50 -16.729 3.380 -4.950 1.00 2.12 O ATOM 783 NE2 GLN A 50 -15.782 4.697 -3.397 1.00 1.46 N ATOM 0 H GLN A 50 -17.661 2.640 0.879 1.00 0.56 H new ATOM 0 HA GLN A 50 -18.735 1.485 -1.435 1.00 0.55 H new ATOM 0 HB2 GLN A 50 -17.071 3.629 -0.743 1.00 0.59 H new ATOM 0 HB3 GLN A 50 -16.030 2.603 -1.711 1.00 0.59 H new ATOM 0 HG2 GLN A 50 -18.359 2.620 -3.200 1.00 0.91 H new ATOM 0 HG3 GLN A 50 -18.355 4.233 -2.513 1.00 0.91 H new ATOM 0 HE21 GLN A 50 -15.792 5.038 -2.436 1.00 1.46 H new ATOM 0 HE22 GLN A 50 -15.069 5.027 -4.048 1.00 1.46 H new ATOM 792 N ILE A 51 -15.823 0.232 -0.495 1.00 0.40 N ATOM 793 CA ILE A 51 -14.925 -0.904 -0.669 1.00 0.38 C ATOM 794 C ILE A 51 -15.629 -2.225 -0.370 1.00 0.41 C ATOM 795 O ILE A 51 -15.598 -3.150 -1.181 1.00 0.47 O ATOM 796 CB ILE A 51 -13.684 -0.782 0.237 1.00 0.35 C ATOM 797 CG1 ILE A 51 -13.079 0.619 0.127 1.00 0.39 C ATOM 798 CG2 ILE A 51 -12.654 -1.841 -0.129 1.00 0.38 C ATOM 799 CD1 ILE A 51 -12.167 0.978 1.280 1.00 0.42 C ATOM 0 H ILE A 51 -15.528 0.896 0.221 1.00 0.40 H new ATOM 0 HA ILE A 51 -14.611 -0.895 -1.713 1.00 0.38 H new ATOM 0 HB ILE A 51 -13.991 -0.944 1.270 1.00 0.35 H new ATOM 0 HG12 ILE A 51 -12.518 0.691 -0.805 1.00 0.39 H new ATOM 0 HG13 ILE A 51 -13.885 1.350 0.071 1.00 0.39 H new ATOM 0 HG21 ILE A 51 -11.784 -1.742 0.520 1.00 0.38 H new ATOM 0 HG22 ILE A 51 -13.090 -2.832 -0.002 1.00 0.38 H new ATOM 0 HG23 ILE A 51 -12.350 -1.709 -1.167 1.00 0.38 H new ATOM 0 HD11 ILE A 51 -11.775 1.985 1.134 1.00 0.42 H new ATOM 0 HD12 ILE A 51 -12.728 0.939 2.214 1.00 0.42 H new ATOM 0 HD13 ILE A 51 -11.340 0.269 1.324 1.00 0.42 H new ATOM 811 N SER A 52 -16.258 -2.305 0.799 1.00 0.43 N ATOM 812 CA SER A 52 -16.965 -3.513 1.215 1.00 0.50 C ATOM 813 C SER A 52 -17.971 -3.966 0.159 1.00 0.52 C ATOM 814 O SER A 52 -18.215 -5.161 -0.004 1.00 0.59 O ATOM 815 CB SER A 52 -17.682 -3.275 2.545 1.00 0.57 C ATOM 816 OG SER A 52 -17.952 -1.898 2.740 1.00 1.42 O ATOM 0 H SER A 52 -16.293 -1.544 1.478 1.00 0.43 H new ATOM 0 HA SER A 52 -16.224 -4.303 1.338 1.00 0.50 H new ATOM 0 HB2 SER A 52 -18.615 -3.838 2.564 1.00 0.57 H new ATOM 0 HB3 SER A 52 -17.068 -3.648 3.365 1.00 0.57 H new ATOM 0 HG SER A 52 -18.388 -1.534 1.942 1.00 1.42 H new ATOM 822 N SER A 53 -18.554 -3.005 -0.553 1.00 0.54 N ATOM 823 CA SER A 53 -19.539 -3.308 -1.587 1.00 0.60 C ATOM 824 C SER A 53 -18.954 -4.217 -2.665 1.00 0.63 C ATOM 825 O SER A 53 -19.338 -5.381 -2.783 1.00 0.70 O ATOM 826 CB SER A 53 -20.056 -2.015 -2.221 1.00 0.68 C ATOM 827 OG SER A 53 -21.030 -2.288 -3.213 1.00 0.93 O ATOM 0 H SER A 53 -18.361 -2.011 -0.433 1.00 0.54 H new ATOM 0 HA SER A 53 -20.367 -3.834 -1.113 1.00 0.60 H new ATOM 0 HB2 SER A 53 -20.486 -1.375 -1.451 1.00 0.68 H new ATOM 0 HB3 SER A 53 -19.225 -1.466 -2.664 1.00 0.68 H new ATOM 0 HG SER A 53 -21.346 -1.446 -3.602 1.00 0.93 H new ATOM 833 N GLN A 54 -18.026 -3.677 -3.449 1.00 0.67 N ATOM 834 CA GLN A 54 -17.394 -4.435 -4.525 1.00 0.80 C ATOM 835 C GLN A 54 -16.647 -5.649 -3.981 1.00 0.81 C ATOM 836 O GLN A 54 -16.518 -6.666 -4.662 1.00 0.97 O ATOM 837 CB GLN A 54 -16.431 -3.541 -5.308 1.00 0.94 C ATOM 838 CG GLN A 54 -17.087 -2.802 -6.462 1.00 1.35 C ATOM 839 CD GLN A 54 -16.158 -2.624 -7.648 1.00 1.75 C ATOM 840 OE1 GLN A 54 -15.252 -3.429 -7.868 1.00 2.48 O ATOM 841 NE2 GLN A 54 -16.378 -1.565 -8.420 1.00 2.07 N ATOM 0 H GLN A 54 -17.694 -2.717 -3.360 1.00 0.67 H new ATOM 0 HA GLN A 54 -18.181 -4.788 -5.192 1.00 0.80 H new ATOM 0 HB2 GLN A 54 -15.989 -2.814 -4.627 1.00 0.94 H new ATOM 0 HB3 GLN A 54 -15.616 -4.152 -5.696 1.00 0.94 H new ATOM 0 HG2 GLN A 54 -17.975 -3.349 -6.780 1.00 1.35 H new ATOM 0 HG3 GLN A 54 -17.422 -1.823 -6.118 1.00 1.35 H new ATOM 0 HE21 GLN A 54 -17.140 -0.924 -8.201 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -15.785 -1.394 -9.232 1.00 2.07 H new ATOM 850 N LYS A 55 -16.159 -5.536 -2.749 1.00 0.68 N ATOM 851 CA LYS A 55 -15.420 -6.622 -2.114 1.00 0.73 C ATOM 852 C LYS A 55 -16.272 -7.884 -2.012 1.00 0.86 C ATOM 853 O LYS A 55 -15.794 -8.988 -2.273 1.00 1.12 O ATOM 854 CB LYS A 55 -14.949 -6.195 -0.722 1.00 0.65 C ATOM 855 CG LYS A 55 -14.196 -7.283 0.028 1.00 0.74 C ATOM 856 CD LYS A 55 -14.608 -7.335 1.491 1.00 0.76 C ATOM 857 CE LYS A 55 -15.946 -8.036 1.668 1.00 1.36 C ATOM 858 NZ LYS A 55 -16.226 -8.347 3.097 1.00 1.77 N ATOM 0 H LYS A 55 -16.262 -4.702 -2.170 1.00 0.68 H new ATOM 0 HA LYS A 55 -14.552 -6.847 -2.734 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -14.306 -5.320 -0.818 1.00 0.65 H new ATOM 0 HB3 LYS A 55 -15.814 -5.891 -0.132 1.00 0.65 H new ATOM 0 HG2 LYS A 55 -14.387 -8.249 -0.440 1.00 0.74 H new ATOM 0 HG3 LYS A 55 -13.124 -7.101 -0.043 1.00 0.74 H new ATOM 0 HD2 LYS A 55 -13.844 -7.857 2.067 1.00 0.76 H new ATOM 0 HD3 LYS A 55 -14.671 -6.322 1.889 1.00 0.76 H new ATOM 0 HE2 LYS A 55 -16.741 -7.405 1.271 1.00 1.36 H new ATOM 0 HE3 LYS A 55 -15.952 -8.959 1.088 1.00 1.36 H new ATOM 0 HZ1 LYS A 55 -17.147 -8.824 3.174 1.00 1.77 H new ATOM 0 HZ2 LYS A 55 -15.481 -8.970 3.469 1.00 1.77 H new ATOM 0 HZ3 LYS A 55 -16.246 -7.464 3.647 1.00 1.77 H new ATOM 872 N GLN A 56 -17.534 -7.714 -1.633 1.00 0.79 N ATOM 873 CA GLN A 56 -18.449 -8.842 -1.492 1.00 0.97 C ATOM 874 C GLN A 56 -18.609 -9.590 -2.813 1.00 1.12 C ATOM 875 O GLN A 56 -18.907 -10.785 -2.827 1.00 1.37 O ATOM 876 CB GLN A 56 -19.816 -8.360 -0.999 1.00 0.96 C ATOM 877 CG GLN A 56 -20.765 -9.493 -0.640 1.00 1.58 C ATOM 878 CD GLN A 56 -20.164 -10.467 0.354 1.00 2.14 C ATOM 879 OE1 GLN A 56 -19.895 -10.115 1.503 1.00 2.41 O ATOM 880 NE2 GLN A 56 -19.948 -11.702 -0.085 1.00 3.02 N ATOM 0 H GLN A 56 -17.947 -6.807 -1.418 1.00 0.79 H new ATOM 0 HA GLN A 56 -18.024 -9.527 -0.758 1.00 0.97 H new ATOM 0 HB2 GLN A 56 -19.675 -7.724 -0.125 1.00 0.96 H new ATOM 0 HB3 GLN A 56 -20.275 -7.743 -1.771 1.00 0.96 H new ATOM 0 HG2 GLN A 56 -21.682 -9.075 -0.224 1.00 1.58 H new ATOM 0 HG3 GLN A 56 -21.042 -10.030 -1.547 1.00 1.58 H new ATOM 0 HE21 GLN A 56 -20.186 -11.951 -1.045 1.00 3.02 H new ATOM 0 HE22 GLN A 56 -19.544 -12.401 0.538 1.00 3.02 H new ATOM 889 N ARG A 57 -18.410 -8.882 -3.920 1.00 1.15 N ATOM 890 CA ARG A 57 -18.539 -9.484 -5.241 1.00 1.46 C ATOM 891 C ARG A 57 -17.192 -9.992 -5.743 1.00 1.58 C ATOM 892 O ARG A 57 -16.617 -9.432 -6.676 1.00 1.74 O ATOM 893 CB ARG A 57 -19.115 -8.469 -6.231 1.00 1.66 C ATOM 894 CG ARG A 57 -20.278 -7.666 -5.673 1.00 1.38 C ATOM 895 CD ARG A 57 -21.612 -8.303 -6.024 1.00 1.67 C ATOM 896 NE ARG A 57 -22.366 -7.500 -6.983 1.00 1.89 N ATOM 897 CZ ARG A 57 -22.954 -8.000 -8.064 1.00 2.38 C ATOM 898 NH1 ARG A 57 -22.878 -9.300 -8.326 1.00 2.83 N ATOM 899 NH2 ARG A 57 -23.621 -7.202 -8.887 1.00 2.99 N ATOM 0 H ARG A 57 -18.159 -7.893 -3.928 1.00 1.15 H new ATOM 0 HA ARG A 57 -19.219 -10.332 -5.161 1.00 1.46 H new ATOM 0 HB2 ARG A 57 -18.325 -7.783 -6.536 1.00 1.66 H new ATOM 0 HB3 ARG A 57 -19.445 -8.995 -7.127 1.00 1.66 H new ATOM 0 HG2 ARG A 57 -20.183 -7.591 -4.590 1.00 1.38 H new ATOM 0 HG3 ARG A 57 -20.243 -6.651 -6.068 1.00 1.38 H new ATOM 0 HD2 ARG A 57 -21.441 -9.297 -6.438 1.00 1.67 H new ATOM 0 HD3 ARG A 57 -22.202 -8.433 -5.117 1.00 1.67 H new ATOM 0 HE ARG A 57 -22.446 -6.497 -6.813 1.00 1.89 H new ATOM 0 HH11 ARG A 57 -22.367 -9.918 -7.696 1.00 2.83 H new ATOM 0 HH12 ARG A 57 -23.331 -9.680 -9.157 1.00 2.83 H new ATOM 0 HH21 ARG A 57 -23.683 -6.203 -8.690 1.00 2.99 H new ATOM 0 HH22 ARG A 57 -24.072 -7.587 -9.717 1.00 2.99 H new ATOM 913 N GLY A 58 -16.710 -11.064 -5.117 1.00 1.74 N ATOM 914 CA GLY A 58 -15.438 -11.665 -5.495 1.00 2.05 C ATOM 915 C GLY A 58 -14.418 -10.655 -5.985 1.00 1.56 C ATOM 916 O GLY A 58 -14.089 -10.625 -7.171 1.00 1.61 O ATOM 0 H GLY A 58 -17.184 -11.533 -4.345 1.00 1.74 H new ATOM 0 HA2 GLY A 58 -15.027 -12.199 -4.638 1.00 2.05 H new ATOM 0 HA3 GLY A 58 -15.612 -12.404 -6.277 1.00 2.05 H new ATOM 920 N ARG A 59 -13.915 -9.827 -5.075 1.00 1.40 N ATOM 921 CA ARG A 59 -12.929 -8.812 -5.431 1.00 1.48 C ATOM 922 C ARG A 59 -11.945 -8.578 -4.288 1.00 1.02 C ATOM 923 O ARG A 59 -12.207 -8.947 -3.144 1.00 1.47 O ATOM 924 CB ARG A 59 -13.625 -7.500 -5.797 1.00 2.32 C ATOM 925 CG ARG A 59 -14.127 -7.454 -7.231 1.00 3.01 C ATOM 926 CD ARG A 59 -13.574 -6.249 -7.976 1.00 3.79 C ATOM 927 NE ARG A 59 -13.008 -6.615 -9.272 1.00 4.29 N ATOM 928 CZ ARG A 59 -13.566 -6.303 -10.438 1.00 4.87 C ATOM 929 NH1 ARG A 59 -14.704 -5.621 -10.473 1.00 5.10 N ATOM 930 NH2 ARG A 59 -12.984 -6.669 -11.572 1.00 5.55 N ATOM 0 H ARG A 59 -14.173 -9.838 -4.088 1.00 1.40 H new ATOM 0 HA ARG A 59 -12.372 -9.174 -6.295 1.00 1.48 H new ATOM 0 HB2 ARG A 59 -14.466 -7.345 -5.122 1.00 2.32 H new ATOM 0 HB3 ARG A 59 -12.932 -6.674 -5.637 1.00 2.32 H new ATOM 0 HG2 ARG A 59 -13.837 -8.368 -7.749 1.00 3.01 H new ATOM 0 HG3 ARG A 59 -15.216 -7.417 -7.235 1.00 3.01 H new ATOM 0 HD2 ARG A 59 -14.369 -5.518 -8.122 1.00 3.79 H new ATOM 0 HD3 ARG A 59 -12.807 -5.769 -7.369 1.00 3.79 H new ATOM 0 HE ARG A 59 -12.134 -7.140 -9.283 1.00 4.29 H new ATOM 0 HH11 ARG A 59 -15.154 -5.334 -9.604 1.00 5.10 H new ATOM 0 HH12 ARG A 59 -15.129 -5.384 -11.369 1.00 5.10 H new ATOM 0 HH21 ARG A 59 -12.108 -7.190 -11.550 1.00 5.55 H new ATOM 0 HH22 ARG A 59 -13.413 -6.429 -12.466 1.00 5.55 H new ATOM 944 N SER A 60 -10.813 -7.958 -4.611 1.00 0.87 N ATOM 945 CA SER A 60 -9.787 -7.668 -3.616 1.00 0.54 C ATOM 946 C SER A 60 -10.041 -6.320 -2.950 1.00 0.42 C ATOM 947 O SER A 60 -10.019 -5.279 -3.607 1.00 0.40 O ATOM 948 CB SER A 60 -8.401 -7.677 -4.266 1.00 0.77 C ATOM 949 OG SER A 60 -8.501 -7.707 -5.679 1.00 1.51 O ATOM 0 H SER A 60 -10.584 -7.647 -5.555 1.00 0.87 H new ATOM 0 HA SER A 60 -9.827 -8.443 -2.851 1.00 0.54 H new ATOM 0 HB2 SER A 60 -7.845 -6.792 -3.956 1.00 0.77 H new ATOM 0 HB3 SER A 60 -7.839 -8.544 -3.920 1.00 0.77 H new ATOM 0 HG SER A 60 -7.603 -7.710 -6.071 1.00 1.51 H new ATOM 955 N ALA A 61 -10.281 -6.349 -1.643 1.00 0.38 N ATOM 956 CA ALA A 61 -10.543 -5.131 -0.885 1.00 0.33 C ATOM 957 C ALA A 61 -9.349 -4.182 -0.931 1.00 0.29 C ATOM 958 O ALA A 61 -9.515 -2.967 -1.032 1.00 0.27 O ATOM 959 CB ALA A 61 -10.890 -5.472 0.555 1.00 0.39 C ATOM 0 H ALA A 61 -10.299 -7.204 -1.086 1.00 0.38 H new ATOM 0 HA ALA A 61 -11.392 -4.625 -1.345 1.00 0.33 H new ATOM 0 HB1 ALA A 61 -11.083 -4.554 1.110 1.00 0.39 H new ATOM 0 HB2 ALA A 61 -11.779 -6.102 0.576 1.00 0.39 H new ATOM 0 HB3 ALA A 61 -10.057 -6.005 1.014 1.00 0.39 H new ATOM 965 N SER A 62 -8.148 -4.746 -0.853 1.00 0.33 N ATOM 966 CA SER A 62 -6.924 -3.952 -0.880 1.00 0.34 C ATOM 967 C SER A 62 -6.754 -3.244 -2.221 1.00 0.31 C ATOM 968 O SER A 62 -6.258 -2.119 -2.279 1.00 0.31 O ATOM 969 CB SER A 62 -5.709 -4.839 -0.604 1.00 0.42 C ATOM 970 OG SER A 62 -5.882 -5.584 0.588 1.00 0.66 O ATOM 0 H SER A 62 -7.996 -5.751 -0.770 1.00 0.33 H new ATOM 0 HA SER A 62 -7.001 -3.195 -0.100 1.00 0.34 H new ATOM 0 HB2 SER A 62 -5.553 -5.519 -1.442 1.00 0.42 H new ATOM 0 HB3 SER A 62 -4.815 -4.221 -0.524 1.00 0.42 H new ATOM 0 HG SER A 62 -5.173 -6.257 0.659 1.00 0.66 H new ATOM 976 N ASN A 63 -7.165 -3.910 -3.295 1.00 0.32 N ATOM 977 CA ASN A 63 -7.054 -3.343 -4.636 1.00 0.32 C ATOM 978 C ASN A 63 -7.855 -2.050 -4.752 1.00 0.31 C ATOM 979 O ASN A 63 -7.318 -1.010 -5.134 1.00 0.33 O ATOM 980 CB ASN A 63 -7.532 -4.354 -5.683 1.00 0.35 C ATOM 981 CG ASN A 63 -7.462 -3.803 -7.094 1.00 0.92 C ATOM 982 OD1 ASN A 63 -6.378 -3.638 -7.655 1.00 1.40 O ATOM 983 ND2 ASN A 63 -8.620 -3.514 -7.676 1.00 1.79 N ATOM 0 H ASN A 63 -7.578 -4.842 -3.264 1.00 0.32 H new ATOM 0 HA ASN A 63 -6.004 -3.112 -4.819 1.00 0.32 H new ATOM 0 HB2 ASN A 63 -6.923 -5.256 -5.618 1.00 0.35 H new ATOM 0 HB3 ASN A 63 -8.558 -4.645 -5.460 1.00 0.35 H new ATOM 0 HD21 ASN A 63 -8.635 -3.140 -8.625 1.00 1.79 H new ATOM 0 HD22 ASN A 63 -9.495 -3.666 -7.174 1.00 1.79 H new ATOM 990 N GLU A 64 -9.141 -2.120 -4.419 1.00 0.31 N ATOM 991 CA GLU A 64 -10.010 -0.950 -4.483 1.00 0.33 C ATOM 992 C GLU A 64 -9.564 0.110 -3.482 1.00 0.31 C ATOM 993 O GLU A 64 -9.565 1.303 -3.784 1.00 0.34 O ATOM 994 CB GLU A 64 -11.461 -1.348 -4.202 1.00 0.37 C ATOM 995 CG GLU A 64 -12.116 -2.108 -5.342 1.00 0.87 C ATOM 996 CD GLU A 64 -12.816 -3.369 -4.877 1.00 1.10 C ATOM 997 OE1 GLU A 64 -13.589 -3.292 -3.898 1.00 1.72 O ATOM 998 OE2 GLU A 64 -12.591 -4.434 -5.489 1.00 1.66 O ATOM 0 H GLU A 64 -9.603 -2.973 -4.103 1.00 0.31 H new ATOM 0 HA GLU A 64 -9.942 -0.533 -5.488 1.00 0.33 H new ATOM 0 HB2 GLU A 64 -11.492 -1.962 -3.302 1.00 0.37 H new ATOM 0 HB3 GLU A 64 -12.042 -0.449 -3.995 1.00 0.37 H new ATOM 0 HG2 GLU A 64 -12.837 -1.459 -5.839 1.00 0.87 H new ATOM 0 HG3 GLU A 64 -11.359 -2.369 -6.082 1.00 0.87 H new ATOM 1005 N PHE A 65 -9.179 -0.340 -2.292 1.00 0.29 N ATOM 1006 CA PHE A 65 -8.727 0.561 -1.239 1.00 0.29 C ATOM 1007 C PHE A 65 -7.570 1.429 -1.722 1.00 0.30 C ATOM 1008 O PHE A 65 -7.533 2.627 -1.459 1.00 0.33 O ATOM 1009 CB PHE A 65 -8.306 -0.244 -0.003 1.00 0.30 C ATOM 1010 CG PHE A 65 -7.400 0.506 0.935 1.00 0.31 C ATOM 1011 CD1 PHE A 65 -7.915 1.447 1.813 1.00 0.41 C ATOM 1012 CD2 PHE A 65 -6.034 0.269 0.939 1.00 0.35 C ATOM 1013 CE1 PHE A 65 -7.086 2.137 2.675 1.00 0.50 C ATOM 1014 CE2 PHE A 65 -5.200 0.958 1.800 1.00 0.42 C ATOM 1015 CZ PHE A 65 -5.721 1.888 2.666 1.00 0.48 C ATOM 0 H PHE A 65 -9.171 -1.326 -2.033 1.00 0.29 H new ATOM 0 HA PHE A 65 -9.555 1.218 -0.972 1.00 0.29 H new ATOM 0 HB2 PHE A 65 -9.200 -0.551 0.540 1.00 0.30 H new ATOM 0 HB3 PHE A 65 -7.802 -1.154 -0.329 1.00 0.30 H new ATOM 0 HD1 PHE A 65 -8.977 1.643 1.823 1.00 0.41 H new ATOM 0 HD2 PHE A 65 -5.617 -0.462 0.262 1.00 0.35 H new ATOM 0 HE1 PHE A 65 -7.499 2.868 3.354 1.00 0.50 H new ATOM 0 HE2 PHE A 65 -4.137 0.765 1.792 1.00 0.42 H new ATOM 0 HZ PHE A 65 -5.069 2.425 3.339 1.00 0.48 H new ATOM 1025 N LEU A 66 -6.625 0.812 -2.424 1.00 0.32 N ATOM 1026 CA LEU A 66 -5.462 1.527 -2.943 1.00 0.35 C ATOM 1027 C LEU A 66 -5.861 2.552 -4.004 1.00 0.37 C ATOM 1028 O LEU A 66 -5.303 3.647 -4.064 1.00 0.42 O ATOM 1029 CB LEU A 66 -4.456 0.535 -3.533 1.00 0.39 C ATOM 1030 CG LEU A 66 -2.986 0.800 -3.189 1.00 0.49 C ATOM 1031 CD1 LEU A 66 -2.563 2.186 -3.653 1.00 0.65 C ATOM 1032 CD2 LEU A 66 -2.748 0.640 -1.694 1.00 0.61 C ATOM 0 H LEU A 66 -6.641 -0.183 -2.647 1.00 0.32 H new ATOM 0 HA LEU A 66 -5.003 2.062 -2.112 1.00 0.35 H new ATOM 0 HB2 LEU A 66 -4.716 -0.466 -3.190 1.00 0.39 H new ATOM 0 HB3 LEU A 66 -4.563 0.538 -4.618 1.00 0.39 H new ATOM 0 HG LEU A 66 -2.377 0.065 -3.715 1.00 0.49 H new ATOM 0 HD11 LEU A 66 -1.516 2.351 -3.398 1.00 0.65 H new ATOM 0 HD12 LEU A 66 -2.690 2.263 -4.733 1.00 0.65 H new ATOM 0 HD13 LEU A 66 -3.179 2.938 -3.161 1.00 0.65 H new ATOM 0 HD21 LEU A 66 -1.699 0.832 -1.470 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -3.371 1.349 -1.148 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -3.003 -0.376 -1.392 1.00 0.61 H new ATOM 1044 N ASN A 67 -6.831 2.189 -4.837 1.00 0.37 N ATOM 1045 CA ASN A 67 -7.293 3.065 -5.911 1.00 0.42 C ATOM 1046 C ASN A 67 -7.890 4.367 -5.376 1.00 0.41 C ATOM 1047 O ASN A 67 -7.984 5.355 -6.104 1.00 0.66 O ATOM 1048 CB ASN A 67 -8.328 2.340 -6.773 1.00 0.47 C ATOM 1049 CG ASN A 67 -7.829 2.084 -8.181 1.00 0.84 C ATOM 1050 OD1 ASN A 67 -7.825 2.983 -9.024 1.00 1.10 O ATOM 1051 ND2 ASN A 67 -7.406 0.854 -8.446 1.00 1.48 N ATOM 0 H ASN A 67 -7.314 1.292 -4.790 1.00 0.37 H new ATOM 0 HA ASN A 67 -6.423 3.322 -6.515 1.00 0.42 H new ATOM 0 HB2 ASN A 67 -8.587 1.391 -6.304 1.00 0.47 H new ATOM 0 HB3 ASN A 67 -9.241 2.934 -6.816 1.00 0.47 H new ATOM 0 HD21 ASN A 67 -7.060 0.623 -9.377 1.00 1.48 H new ATOM 0 HD22 ASN A 67 -7.427 0.140 -7.718 1.00 1.48 H new ATOM 1058 N ILE A 68 -8.292 4.370 -4.108 1.00 0.33 N ATOM 1059 CA ILE A 68 -8.888 5.560 -3.503 1.00 0.35 C ATOM 1060 C ILE A 68 -7.962 6.190 -2.466 1.00 0.35 C ATOM 1061 O ILE A 68 -7.891 7.414 -2.344 1.00 0.41 O ATOM 1062 CB ILE A 68 -10.240 5.232 -2.836 1.00 0.40 C ATOM 1063 CG1 ILE A 68 -11.143 4.463 -3.804 1.00 0.43 C ATOM 1064 CG2 ILE A 68 -10.925 6.508 -2.367 1.00 0.46 C ATOM 1065 CD1 ILE A 68 -11.841 3.281 -3.168 1.00 0.52 C ATOM 0 H ILE A 68 -8.217 3.568 -3.482 1.00 0.33 H new ATOM 0 HA ILE A 68 -9.048 6.272 -4.313 1.00 0.35 H new ATOM 0 HB ILE A 68 -10.052 4.602 -1.967 1.00 0.40 H new ATOM 0 HG12 ILE A 68 -11.893 5.144 -4.207 1.00 0.43 H new ATOM 0 HG13 ILE A 68 -10.545 4.112 -4.645 1.00 0.43 H new ATOM 0 HG21 ILE A 68 -11.877 6.259 -1.899 1.00 0.46 H new ATOM 0 HG22 ILE A 68 -10.288 7.018 -1.645 1.00 0.46 H new ATOM 0 HG23 ILE A 68 -11.101 7.162 -3.221 1.00 0.46 H new ATOM 0 HD11 ILE A 68 -12.464 2.783 -3.911 1.00 0.52 H new ATOM 0 HD12 ILE A 68 -11.097 2.580 -2.789 1.00 0.52 H new ATOM 0 HD13 ILE A 68 -12.466 3.627 -2.345 1.00 0.52 H new ATOM 1077 N TRP A 69 -7.252 5.349 -1.725 1.00 0.35 N ATOM 1078 CA TRP A 69 -6.335 5.817 -0.690 1.00 0.38 C ATOM 1079 C TRP A 69 -5.094 6.458 -1.304 1.00 0.45 C ATOM 1080 O TRP A 69 -4.735 7.585 -0.963 1.00 0.62 O ATOM 1081 CB TRP A 69 -5.929 4.652 0.219 1.00 0.42 C ATOM 1082 CG TRP A 69 -4.845 4.998 1.195 1.00 0.43 C ATOM 1083 CD1 TRP A 69 -4.910 5.917 2.202 1.00 0.45 C ATOM 1084 CD2 TRP A 69 -3.534 4.426 1.255 1.00 0.48 C ATOM 1085 NE1 TRP A 69 -3.719 5.952 2.885 1.00 0.48 N ATOM 1086 CE2 TRP A 69 -2.858 5.045 2.325 1.00 0.50 C ATOM 1087 CE3 TRP A 69 -2.865 3.450 0.511 1.00 0.55 C ATOM 1088 CZ2 TRP A 69 -1.548 4.720 2.665 1.00 0.57 C ATOM 1089 CZ3 TRP A 69 -1.564 3.128 0.851 1.00 0.62 C ATOM 1090 CH2 TRP A 69 -0.919 3.760 1.921 1.00 0.63 C ATOM 0 H TRP A 69 -7.293 4.334 -1.821 1.00 0.35 H new ATOM 0 HA TRP A 69 -6.850 6.573 -0.097 1.00 0.38 H new ATOM 0 HB2 TRP A 69 -6.805 4.310 0.769 1.00 0.42 H new ATOM 0 HB3 TRP A 69 -5.596 3.819 -0.400 1.00 0.42 H new ATOM 0 HD1 TRP A 69 -5.772 6.527 2.429 1.00 0.45 H new ATOM 0 HE1 TRP A 69 -3.509 6.555 3.680 1.00 0.48 H new ATOM 0 HE3 TRP A 69 -3.356 2.956 -0.315 1.00 0.55 H new ATOM 0 HZ2 TRP A 69 -1.046 5.208 3.487 1.00 0.57 H new ATOM 0 HZ3 TRP A 69 -1.037 2.377 0.282 1.00 0.62 H new ATOM 0 HH2 TRP A 69 0.096 3.484 2.164 1.00 0.63 H new ATOM 1101 N GLY A 70 -4.443 5.732 -2.208 1.00 0.59 N ATOM 1102 CA GLY A 70 -3.249 6.246 -2.852 1.00 0.74 C ATOM 1103 C GLY A 70 -3.563 7.263 -3.932 1.00 0.86 C ATOM 1104 O GLY A 70 -3.452 6.968 -5.122 1.00 1.08 O ATOM 0 H GLY A 70 -4.722 4.797 -2.506 1.00 0.59 H new ATOM 0 HA2 GLY A 70 -2.605 6.705 -2.102 1.00 0.74 H new ATOM 0 HA3 GLY A 70 -2.691 5.418 -3.289 1.00 0.74 H new ATOM 1108 N GLY A 71 -3.955 8.463 -3.515 1.00 0.96 N ATOM 1109 CA GLY A 71 -4.281 9.512 -4.465 1.00 1.16 C ATOM 1110 C GLY A 71 -4.621 10.823 -3.784 1.00 1.26 C ATOM 1111 O GLY A 71 -4.331 11.897 -4.311 1.00 1.54 O ATOM 0 H GLY A 71 -4.053 8.728 -2.535 1.00 0.96 H new ATOM 0 HA2 GLY A 71 -3.437 9.664 -5.138 1.00 1.16 H new ATOM 0 HA3 GLY A 71 -5.125 9.194 -5.078 1.00 1.16 H new ATOM 1115 N GLN A 72 -5.239 10.734 -2.611 1.00 1.15 N ATOM 1116 CA GLN A 72 -5.620 11.919 -1.850 1.00 1.31 C ATOM 1117 C GLN A 72 -5.164 11.798 -0.398 1.00 1.31 C ATOM 1118 O GLN A 72 -5.801 12.327 0.512 1.00 1.64 O ATOM 1119 CB GLN A 72 -7.137 12.128 -1.910 1.00 1.35 C ATOM 1120 CG GLN A 72 -7.913 10.880 -2.302 1.00 1.21 C ATOM 1121 CD GLN A 72 -9.342 10.901 -1.798 1.00 1.42 C ATOM 1122 OE1 GLN A 72 -9.664 10.282 -0.784 1.00 1.84 O ATOM 1123 NE2 GLN A 72 -10.210 11.612 -2.509 1.00 1.99 N ATOM 0 H GLN A 72 -5.487 9.851 -2.165 1.00 1.15 H new ATOM 0 HA GLN A 72 -5.128 12.783 -2.297 1.00 1.31 H new ATOM 0 HB2 GLN A 72 -7.486 12.471 -0.936 1.00 1.35 H new ATOM 0 HB3 GLN A 72 -7.357 12.921 -2.625 1.00 1.35 H new ATOM 0 HG2 GLN A 72 -7.916 10.784 -3.388 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -7.405 10.001 -1.906 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -9.899 12.110 -3.343 1.00 1.99 H new ATOM 0 HE22 GLN A 72 -11.187 11.660 -2.221 1.00 1.99 H new ATOM 1132 N TYR A 73 -4.054 11.096 -0.194 1.00 1.08 N ATOM 1133 CA TYR A 73 -3.502 10.893 1.141 1.00 1.16 C ATOM 1134 C TYR A 73 -1.977 10.905 1.101 1.00 1.24 C ATOM 1135 O TYR A 73 -1.323 10.199 1.869 1.00 1.49 O ATOM 1136 CB TYR A 73 -4.002 9.571 1.727 1.00 1.13 C ATOM 1137 CG TYR A 73 -5.367 9.669 2.372 1.00 1.13 C ATOM 1138 CD1 TYR A 73 -5.532 10.291 3.604 1.00 1.46 C ATOM 1139 CD2 TYR A 73 -6.490 9.141 1.748 1.00 0.90 C ATOM 1140 CE1 TYR A 73 -6.779 10.381 4.196 1.00 1.53 C ATOM 1141 CE2 TYR A 73 -7.739 9.229 2.333 1.00 0.97 C ATOM 1142 CZ TYR A 73 -7.875 9.852 3.561 1.00 1.27 C ATOM 1143 OH TYR A 73 -9.120 9.938 4.141 1.00 1.38 O ATOM 0 H TYR A 73 -3.516 10.656 -0.941 1.00 1.08 H new ATOM 0 HA TYR A 73 -3.838 11.711 1.778 1.00 1.16 H new ATOM 0 HB2 TYR A 73 -4.037 8.823 0.935 1.00 1.13 H new ATOM 0 HB3 TYR A 73 -3.285 9.218 2.468 1.00 1.13 H new ATOM 0 HD1 TYR A 73 -4.673 10.711 4.107 1.00 1.46 H new ATOM 0 HD2 TYR A 73 -6.385 8.654 0.790 1.00 0.90 H new ATOM 0 HE1 TYR A 73 -6.890 10.866 5.155 1.00 1.53 H new ATOM 0 HE2 TYR A 73 -8.603 8.814 1.835 1.00 0.97 H new ATOM 0 HH TYR A 73 -9.783 9.514 3.557 1.00 1.38 H new ATOM 1153 N ASN A 74 -1.428 11.699 0.178 1.00 1.23 N ATOM 1154 CA ASN A 74 0.021 11.827 -0.004 1.00 1.34 C ATOM 1155 C ASN A 74 0.597 10.608 -0.717 1.00 0.95 C ATOM 1156 O ASN A 74 1.647 10.696 -1.350 1.00 1.38 O ATOM 1157 CB ASN A 74 0.736 12.047 1.334 1.00 1.91 C ATOM 1158 CG ASN A 74 0.450 13.412 1.926 1.00 2.53 C ATOM 1159 OD1 ASN A 74 -0.790 13.625 2.351 1.00 3.01 O flip ATOM 1160 ND2 ASN A 74 1.334 14.266 2.003 1.00 3.10 N flip ATOM 0 H ASN A 74 -1.975 12.272 -0.465 1.00 1.23 H new ATOM 0 HA ASN A 74 0.191 12.704 -0.629 1.00 1.34 H new ATOM 0 HB2 ASN A 74 0.426 11.276 2.039 1.00 1.91 H new ATOM 0 HB3 ASN A 74 1.811 11.934 1.191 1.00 1.91 H new ATOM 0 HD21 ASN A 74 2.274 14.059 1.664 1.00 3.10 H new ATOM 0 HD22 ASN A 74 1.127 15.180 2.406 1.00 3.10 H new ATOM 1167 N HIS A 75 -0.107 9.481 -0.616 1.00 0.64 N ATOM 1168 CA HIS A 75 0.303 8.228 -1.254 1.00 0.65 C ATOM 1169 C HIS A 75 1.829 8.031 -1.224 1.00 0.56 C ATOM 1170 O HIS A 75 2.461 8.286 -0.206 1.00 1.01 O ATOM 1171 CB HIS A 75 -0.244 8.169 -2.689 1.00 1.06 C ATOM 1172 CG HIS A 75 0.156 9.329 -3.550 1.00 1.69 C ATOM 1173 ND1 HIS A 75 1.153 9.461 -4.456 1.00 2.23 N flip ATOM 1174 CD2 HIS A 75 -0.506 10.539 -3.535 1.00 2.43 C flip ATOM 1175 CE1 HIS A 75 1.074 10.732 -4.967 1.00 2.72 C flip ATOM 1176 NE2 HIS A 75 0.065 11.363 -4.396 1.00 2.80 N flip ATOM 0 H HIS A 75 -0.978 9.410 -0.090 1.00 0.64 H new ATOM 0 HA HIS A 75 -0.122 7.404 -0.682 1.00 0.65 H new ATOM 0 HB2 HIS A 75 0.100 7.247 -3.159 1.00 1.06 H new ATOM 0 HB3 HIS A 75 -1.332 8.120 -2.649 1.00 1.06 H new ATOM 0 HD2 HIS A 75 -1.359 10.776 -2.916 1.00 2.43 H new ATOM 0 HE1 HIS A 75 1.731 11.149 -5.716 1.00 2.72 H new ATOM 0 HE2 HIS A 75 -0.224 12.322 -4.587 1.00 2.80 H new ATOM 1185 N THR A 76 2.396 7.584 -2.353 1.00 0.64 N ATOM 1186 CA THR A 76 3.836 7.315 -2.504 1.00 0.64 C ATOM 1187 C THR A 76 4.208 5.959 -1.913 1.00 0.51 C ATOM 1188 O THR A 76 3.566 5.474 -0.982 1.00 0.43 O ATOM 1189 CB THR A 76 4.747 8.403 -1.888 1.00 0.89 C ATOM 1190 OG1 THR A 76 4.814 8.259 -0.466 1.00 1.17 O ATOM 1191 CG2 THR A 76 4.259 9.800 -2.248 1.00 1.07 C ATOM 0 H THR A 76 1.861 7.396 -3.201 1.00 0.64 H new ATOM 0 HA THR A 76 4.012 7.319 -3.580 1.00 0.64 H new ATOM 0 HB THR A 76 5.746 8.272 -2.304 1.00 0.89 H new ATOM 0 HG1 THR A 76 4.041 8.701 -0.056 1.00 1.17 H new ATOM 0 HG21 THR A 76 4.920 10.543 -1.801 1.00 1.07 H new ATOM 0 HG22 THR A 76 4.261 9.918 -3.332 1.00 1.07 H new ATOM 0 HG23 THR A 76 3.246 9.940 -1.870 1.00 1.07 H new ATOM 1199 N VAL A 77 5.258 5.357 -2.469 1.00 0.53 N ATOM 1200 CA VAL A 77 5.722 4.042 -2.032 1.00 0.49 C ATOM 1201 C VAL A 77 6.142 4.045 -0.568 1.00 0.40 C ATOM 1202 O VAL A 77 5.733 3.174 0.201 1.00 0.39 O ATOM 1203 CB VAL A 77 6.905 3.549 -2.890 1.00 0.61 C ATOM 1204 CG1 VAL A 77 7.016 2.034 -2.826 1.00 1.22 C ATOM 1205 CG2 VAL A 77 6.757 4.017 -4.331 1.00 1.25 C ATOM 0 H VAL A 77 5.806 5.762 -3.228 1.00 0.53 H new ATOM 0 HA VAL A 77 4.877 3.364 -2.155 1.00 0.49 H new ATOM 0 HB VAL A 77 7.822 3.977 -2.486 1.00 0.61 H new ATOM 0 HG11 VAL A 77 7.856 1.705 -3.437 1.00 1.22 H new ATOM 0 HG12 VAL A 77 7.175 1.724 -1.793 1.00 1.22 H new ATOM 0 HG13 VAL A 77 6.096 1.586 -3.202 1.00 1.22 H new ATOM 0 HG21 VAL A 77 7.602 3.658 -4.919 1.00 1.25 H new ATOM 0 HG22 VAL A 77 5.831 3.622 -4.749 1.00 1.25 H new ATOM 0 HG23 VAL A 77 6.732 5.106 -4.359 1.00 1.25 H new ATOM 1215 N GLN A 78 6.968 5.017 -0.187 1.00 0.42 N ATOM 1216 CA GLN A 78 7.435 5.123 1.192 1.00 0.42 C ATOM 1217 C GLN A 78 6.262 5.026 2.161 1.00 0.37 C ATOM 1218 O GLN A 78 6.338 4.335 3.178 1.00 0.35 O ATOM 1219 CB GLN A 78 8.187 6.438 1.408 1.00 0.54 C ATOM 1220 CG GLN A 78 7.623 7.601 0.610 1.00 1.05 C ATOM 1221 CD GLN A 78 8.287 8.920 0.954 1.00 1.49 C ATOM 1222 OE1 GLN A 78 9.496 8.979 1.185 1.00 2.24 O ATOM 1223 NE2 GLN A 78 7.499 9.986 0.992 1.00 1.87 N ATOM 0 H GLN A 78 7.326 5.740 -0.812 1.00 0.42 H new ATOM 0 HA GLN A 78 8.119 4.296 1.384 1.00 0.42 H new ATOM 0 HB2 GLN A 78 8.163 6.690 2.468 1.00 0.54 H new ATOM 0 HB3 GLN A 78 9.233 6.297 1.138 1.00 0.54 H new ATOM 0 HG2 GLN A 78 7.749 7.402 -0.454 1.00 1.05 H new ATOM 0 HG3 GLN A 78 6.552 7.678 0.795 1.00 1.05 H new ATOM 0 HE21 GLN A 78 6.503 9.891 0.794 1.00 1.87 H new ATOM 0 HE22 GLN A 78 7.889 10.901 1.219 1.00 1.87 H new ATOM 1232 N THR A 79 5.180 5.729 1.836 1.00 0.42 N ATOM 1233 CA THR A 79 3.983 5.718 2.665 1.00 0.45 C ATOM 1234 C THR A 79 3.454 4.297 2.843 1.00 0.39 C ATOM 1235 O THR A 79 3.046 3.907 3.937 1.00 0.40 O ATOM 1236 CB THR A 79 2.877 6.613 2.063 1.00 0.56 C ATOM 1237 OG1 THR A 79 3.222 7.992 2.242 1.00 0.65 O ATOM 1238 CG2 THR A 79 1.530 6.341 2.718 1.00 0.71 C ATOM 0 H THR A 79 5.110 6.313 1.003 1.00 0.42 H new ATOM 0 HA THR A 79 4.261 6.116 3.641 1.00 0.45 H new ATOM 0 HB THR A 79 2.796 6.383 1.001 1.00 0.56 H new ATOM 0 HG1 THR A 79 2.860 8.519 1.499 1.00 0.65 H new ATOM 0 HG21 THR A 79 0.772 6.986 2.273 1.00 0.71 H new ATOM 0 HG22 THR A 79 1.254 5.298 2.564 1.00 0.71 H new ATOM 0 HG23 THR A 79 1.597 6.544 3.787 1.00 0.71 H new ATOM 1246 N LEU A 80 3.467 3.528 1.757 1.00 0.35 N ATOM 1247 CA LEU A 80 2.990 2.150 1.784 1.00 0.34 C ATOM 1248 C LEU A 80 3.814 1.305 2.749 1.00 0.32 C ATOM 1249 O LEU A 80 3.274 0.458 3.461 1.00 0.34 O ATOM 1250 CB LEU A 80 3.047 1.547 0.376 1.00 0.37 C ATOM 1251 CG LEU A 80 2.638 0.075 0.275 1.00 0.42 C ATOM 1252 CD1 LEU A 80 1.231 -0.127 0.817 1.00 0.47 C ATOM 1253 CD2 LEU A 80 2.727 -0.402 -1.167 1.00 0.50 C ATOM 0 H LEU A 80 3.804 3.838 0.846 1.00 0.35 H new ATOM 0 HA LEU A 80 1.957 2.153 2.131 1.00 0.34 H new ATOM 0 HB2 LEU A 80 2.400 2.132 -0.278 1.00 0.37 H new ATOM 0 HB3 LEU A 80 4.063 1.651 -0.005 1.00 0.37 H new ATOM 0 HG LEU A 80 3.326 -0.517 0.879 1.00 0.42 H new ATOM 0 HD11 LEU A 80 0.958 -1.179 0.737 1.00 0.47 H new ATOM 0 HD12 LEU A 80 1.197 0.178 1.863 1.00 0.47 H new ATOM 0 HD13 LEU A 80 0.529 0.475 0.240 1.00 0.47 H new ATOM 0 HD21 LEU A 80 2.433 -1.450 -1.222 1.00 0.50 H new ATOM 0 HD22 LEU A 80 2.061 0.195 -1.790 1.00 0.50 H new ATOM 0 HD23 LEU A 80 3.751 -0.293 -1.524 1.00 0.50 H new ATOM 1265 N PHE A 81 5.122 1.538 2.767 1.00 0.33 N ATOM 1266 CA PHE A 81 6.017 0.797 3.648 1.00 0.36 C ATOM 1267 C PHE A 81 5.639 1.015 5.111 1.00 0.37 C ATOM 1268 O PHE A 81 5.780 0.115 5.939 1.00 0.38 O ATOM 1269 CB PHE A 81 7.469 1.219 3.413 1.00 0.41 C ATOM 1270 CG PHE A 81 8.471 0.233 3.941 1.00 0.47 C ATOM 1271 CD1 PHE A 81 8.759 -0.927 3.239 1.00 0.59 C ATOM 1272 CD2 PHE A 81 9.124 0.463 5.141 1.00 0.55 C ATOM 1273 CE1 PHE A 81 9.680 -1.836 3.723 1.00 0.71 C ATOM 1274 CE2 PHE A 81 10.047 -0.442 5.630 1.00 0.67 C ATOM 1275 CZ PHE A 81 10.324 -1.593 4.919 1.00 0.73 C ATOM 0 H PHE A 81 5.586 2.233 2.182 1.00 0.33 H new ATOM 0 HA PHE A 81 5.917 -0.264 3.418 1.00 0.36 H new ATOM 0 HB2 PHE A 81 7.632 1.353 2.344 1.00 0.41 H new ATOM 0 HB3 PHE A 81 7.639 2.187 3.885 1.00 0.41 H new ATOM 0 HD1 PHE A 81 8.258 -1.123 2.303 1.00 0.59 H new ATOM 0 HD2 PHE A 81 8.909 1.361 5.701 1.00 0.55 H new ATOM 0 HE1 PHE A 81 9.896 -2.736 3.166 1.00 0.71 H new ATOM 0 HE2 PHE A 81 10.550 -0.250 6.566 1.00 0.67 H new ATOM 0 HZ PHE A 81 11.044 -2.303 5.299 1.00 0.73 H new ATOM 1285 N ALA A 82 5.159 2.215 5.421 1.00 0.45 N ATOM 1286 CA ALA A 82 4.758 2.555 6.784 1.00 0.52 C ATOM 1287 C ALA A 82 3.601 1.677 7.255 1.00 0.45 C ATOM 1288 O ALA A 82 3.626 1.145 8.365 1.00 0.43 O ATOM 1289 CB ALA A 82 4.377 4.025 6.869 1.00 0.67 C ATOM 0 H ALA A 82 5.038 2.970 4.746 1.00 0.45 H new ATOM 0 HA ALA A 82 5.607 2.371 7.442 1.00 0.52 H new ATOM 0 HB1 ALA A 82 4.080 4.265 7.890 1.00 0.67 H new ATOM 0 HB2 ALA A 82 5.232 4.639 6.585 1.00 0.67 H new ATOM 0 HB3 ALA A 82 3.546 4.225 6.193 1.00 0.67 H new ATOM 1295 N LEU A 83 2.588 1.533 6.405 1.00 0.44 N ATOM 1296 CA LEU A 83 1.416 0.725 6.733 1.00 0.41 C ATOM 1297 C LEU A 83 1.787 -0.750 6.869 1.00 0.36 C ATOM 1298 O LEU A 83 1.457 -1.395 7.864 1.00 0.36 O ATOM 1299 CB LEU A 83 0.341 0.897 5.654 1.00 0.46 C ATOM 1300 CG LEU A 83 -1.100 0.673 6.125 1.00 0.53 C ATOM 1301 CD1 LEU A 83 -2.085 1.194 5.091 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -1.353 -0.801 6.406 1.00 1.23 C ATOM 0 H LEU A 83 2.555 1.966 5.482 1.00 0.44 H new ATOM 0 HA LEU A 83 1.024 1.068 7.690 1.00 0.41 H new ATOM 0 HB2 LEU A 83 0.419 1.904 5.243 1.00 0.46 H new ATOM 0 HB3 LEU A 83 0.552 0.203 4.840 1.00 0.46 H new ATOM 0 HG LEU A 83 -1.246 1.227 7.052 1.00 0.53 H new ATOM 0 HD11 LEU A 83 -3.103 1.027 5.442 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -1.924 2.261 4.940 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -1.935 0.668 4.148 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -2.382 -0.937 6.739 1.00 1.23 H new ATOM 0 HD22 LEU A 83 -1.187 -1.379 5.497 1.00 1.23 H new ATOM 0 HD23 LEU A 83 -0.672 -1.145 7.184 1.00 1.23 H new ATOM 1314 N PHE A 84 2.469 -1.274 5.859 1.00 0.37 N ATOM 1315 CA PHE A 84 2.893 -2.670 5.851 1.00 0.39 C ATOM 1316 C PHE A 84 3.746 -2.996 7.077 1.00 0.39 C ATOM 1317 O PHE A 84 3.379 -3.848 7.886 1.00 0.41 O ATOM 1318 CB PHE A 84 3.674 -2.961 4.563 1.00 0.45 C ATOM 1319 CG PHE A 84 2.810 -3.138 3.335 1.00 0.41 C ATOM 1320 CD1 PHE A 84 1.430 -3.061 3.439 1.00 0.46 C ATOM 1321 CD2 PHE A 84 3.367 -3.369 2.081 1.00 0.40 C ATOM 1322 CE1 PHE A 84 0.625 -3.211 2.327 1.00 0.46 C ATOM 1323 CE2 PHE A 84 2.564 -3.518 0.966 1.00 0.41 C ATOM 1324 CZ PHE A 84 1.246 -3.487 1.057 1.00 0.42 C ATOM 0 H PHE A 84 2.743 -0.749 5.028 1.00 0.37 H new ATOM 0 HA PHE A 84 2.006 -3.303 5.888 1.00 0.39 H new ATOM 0 HB2 PHE A 84 4.374 -2.145 4.385 1.00 0.45 H new ATOM 0 HB3 PHE A 84 4.267 -3.864 4.708 1.00 0.45 H new ATOM 0 HD1 PHE A 84 0.978 -2.881 4.403 1.00 0.46 H new ATOM 0 HD2 PHE A 84 4.440 -3.433 1.978 1.00 0.40 H new ATOM 0 HE1 PHE A 84 -0.448 -3.123 2.408 1.00 0.46 H new ATOM 0 HE2 PHE A 84 3.024 -3.663 -0.001 1.00 0.41 H new ATOM 0 HZ PHE A 84 0.637 -3.668 0.183 1.00 0.42 H new ATOM 1334 N LYS A 85 4.879 -2.315 7.211 1.00 0.43 N ATOM 1335 CA LYS A 85 5.787 -2.543 8.336 1.00 0.47 C ATOM 1336 C LYS A 85 5.049 -2.482 9.674 1.00 0.48 C ATOM 1337 O LYS A 85 5.434 -3.148 10.636 1.00 0.51 O ATOM 1338 CB LYS A 85 6.916 -1.512 8.319 1.00 0.56 C ATOM 1339 CG LYS A 85 8.021 -1.800 9.321 1.00 0.83 C ATOM 1340 CD LYS A 85 8.484 -0.532 10.019 1.00 0.64 C ATOM 1341 CE LYS A 85 9.974 -0.573 10.315 1.00 1.03 C ATOM 1342 NZ LYS A 85 10.266 -1.271 11.598 1.00 1.59 N ATOM 0 H LYS A 85 5.193 -1.599 6.555 1.00 0.43 H new ATOM 0 HA LYS A 85 6.206 -3.543 8.227 1.00 0.47 H new ATOM 0 HB2 LYS A 85 7.346 -1.474 7.318 1.00 0.56 H new ATOM 0 HB3 LYS A 85 6.499 -0.526 8.525 1.00 0.56 H new ATOM 0 HG2 LYS A 85 7.664 -2.515 10.062 1.00 0.83 H new ATOM 0 HG3 LYS A 85 8.865 -2.264 8.810 1.00 0.83 H new ATOM 0 HD2 LYS A 85 8.260 0.332 9.393 1.00 0.64 H new ATOM 0 HD3 LYS A 85 7.930 -0.404 10.949 1.00 0.64 H new ATOM 0 HE2 LYS A 85 10.492 -1.079 9.500 1.00 1.03 H new ATOM 0 HE3 LYS A 85 10.364 0.444 10.358 1.00 1.03 H new ATOM 0 HZ1 LYS A 85 11.293 -1.278 11.764 1.00 1.59 H new ATOM 0 HZ2 LYS A 85 9.792 -0.774 12.379 1.00 1.59 H new ATOM 0 HZ3 LYS A 85 9.917 -2.249 11.548 1.00 1.59 H new ATOM 1356 N LYS A 86 3.994 -1.677 9.727 1.00 0.52 N ATOM 1357 CA LYS A 86 3.204 -1.523 10.946 1.00 0.59 C ATOM 1358 C LYS A 86 2.600 -2.852 11.399 1.00 0.61 C ATOM 1359 O LYS A 86 2.487 -3.114 12.596 1.00 0.69 O ATOM 1360 CB LYS A 86 2.093 -0.496 10.724 1.00 0.71 C ATOM 1361 CG LYS A 86 1.362 -0.101 11.997 1.00 1.05 C ATOM 1362 CD LYS A 86 -0.007 0.484 11.691 1.00 1.31 C ATOM 1363 CE LYS A 86 -1.048 -0.607 11.497 1.00 1.84 C ATOM 1364 NZ LYS A 86 -2.282 -0.346 12.289 1.00 2.31 N ATOM 0 H LYS A 86 3.664 -1.119 8.939 1.00 0.52 H new ATOM 0 HA LYS A 86 3.873 -1.174 11.733 1.00 0.59 H new ATOM 0 HB2 LYS A 86 2.522 0.397 10.270 1.00 0.71 H new ATOM 0 HB3 LYS A 86 1.373 -0.901 10.013 1.00 0.71 H new ATOM 0 HG2 LYS A 86 1.251 -0.974 12.640 1.00 1.05 H new ATOM 0 HG3 LYS A 86 1.956 0.628 12.548 1.00 1.05 H new ATOM 0 HD2 LYS A 86 -0.314 1.140 12.505 1.00 1.31 H new ATOM 0 HD3 LYS A 86 0.051 1.097 10.792 1.00 1.31 H new ATOM 0 HE2 LYS A 86 -1.304 -0.680 10.440 1.00 1.84 H new ATOM 0 HE3 LYS A 86 -0.625 -1.568 11.790 1.00 1.84 H new ATOM 0 HZ1 LYS A 86 -2.966 -1.113 12.129 1.00 2.31 H new ATOM 0 HZ2 LYS A 86 -2.043 -0.301 13.300 1.00 2.31 H new ATOM 0 HZ3 LYS A 86 -2.700 0.559 11.992 1.00 2.31 H new ATOM 1378 N LEU A 87 2.213 -3.686 10.438 1.00 0.61 N ATOM 1379 CA LEU A 87 1.608 -4.980 10.747 1.00 0.70 C ATOM 1380 C LEU A 87 2.654 -6.090 10.817 1.00 0.63 C ATOM 1381 O LEU A 87 2.315 -7.258 11.005 1.00 0.74 O ATOM 1382 CB LEU A 87 0.547 -5.332 9.701 1.00 0.80 C ATOM 1383 CG LEU A 87 -0.489 -6.369 10.146 1.00 1.04 C ATOM 1384 CD1 LEU A 87 -1.357 -5.814 11.266 1.00 1.57 C ATOM 1385 CD2 LEU A 87 -1.350 -6.803 8.969 1.00 1.46 C ATOM 0 H LEU A 87 2.307 -3.491 9.441 1.00 0.61 H new ATOM 0 HA LEU A 87 1.139 -4.897 11.727 1.00 0.70 H new ATOM 0 HB2 LEU A 87 0.024 -4.419 9.416 1.00 0.80 H new ATOM 0 HB3 LEU A 87 1.049 -5.704 8.808 1.00 0.80 H new ATOM 0 HG LEU A 87 0.042 -7.242 10.525 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -2.086 -6.566 11.568 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -0.729 -5.555 12.118 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -1.878 -4.923 10.915 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -2.080 -7.540 9.304 1.00 1.46 H new ATOM 0 HD22 LEU A 87 -1.870 -5.937 8.560 1.00 1.46 H new ATOM 0 HD23 LEU A 87 -0.717 -7.244 8.198 1.00 1.46 H new ATOM 1397 N LYS A 88 3.923 -5.721 10.665 1.00 0.52 N ATOM 1398 CA LYS A 88 5.014 -6.693 10.712 1.00 0.53 C ATOM 1399 C LYS A 88 4.791 -7.815 9.700 1.00 0.51 C ATOM 1400 O LYS A 88 4.853 -8.997 10.041 1.00 0.56 O ATOM 1401 CB LYS A 88 5.142 -7.278 12.121 1.00 0.69 C ATOM 1402 CG LYS A 88 5.645 -6.280 13.152 1.00 1.16 C ATOM 1403 CD LYS A 88 5.732 -6.903 14.536 1.00 1.45 C ATOM 1404 CE LYS A 88 4.423 -6.756 15.297 1.00 2.05 C ATOM 1405 NZ LYS A 88 3.630 -8.016 15.282 1.00 2.87 N ATOM 0 H LYS A 88 4.222 -4.758 10.509 1.00 0.52 H new ATOM 0 HA LYS A 88 5.939 -6.176 10.454 1.00 0.53 H new ATOM 0 HB2 LYS A 88 4.170 -7.656 12.438 1.00 0.69 H new ATOM 0 HB3 LYS A 88 5.821 -8.130 12.091 1.00 0.69 H new ATOM 0 HG2 LYS A 88 6.627 -5.913 12.855 1.00 1.16 H new ATOM 0 HG3 LYS A 88 4.978 -5.418 13.181 1.00 1.16 H new ATOM 0 HD2 LYS A 88 5.985 -7.959 14.445 1.00 1.45 H new ATOM 0 HD3 LYS A 88 6.537 -6.430 15.099 1.00 1.45 H new ATOM 0 HE2 LYS A 88 4.632 -6.470 16.328 1.00 2.05 H new ATOM 0 HE3 LYS A 88 3.835 -5.951 14.856 1.00 2.05 H new ATOM 0 HZ1 LYS A 88 2.619 -7.791 15.379 1.00 2.87 H new ATOM 0 HZ2 LYS A 88 3.789 -8.516 14.384 1.00 2.87 H new ATOM 0 HZ3 LYS A 88 3.927 -8.623 16.073 1.00 2.87 H new ATOM 1419 N LEU A 89 4.531 -7.435 8.453 1.00 0.47 N ATOM 1420 CA LEU A 89 4.296 -8.406 7.386 1.00 0.46 C ATOM 1421 C LEU A 89 5.607 -8.792 6.697 1.00 0.45 C ATOM 1422 O LEU A 89 5.861 -8.411 5.553 1.00 0.43 O ATOM 1423 CB LEU A 89 3.289 -7.846 6.370 1.00 0.48 C ATOM 1424 CG LEU A 89 3.290 -6.335 6.222 1.00 0.78 C ATOM 1425 CD1 LEU A 89 4.699 -5.852 5.934 1.00 1.25 C ATOM 1426 CD2 LEU A 89 2.328 -5.919 5.121 1.00 1.31 C ATOM 0 H LEU A 89 4.477 -6.461 8.155 1.00 0.47 H new ATOM 0 HA LEU A 89 3.875 -9.309 7.829 1.00 0.46 H new ATOM 0 HB2 LEU A 89 3.495 -8.290 5.396 1.00 0.48 H new ATOM 0 HB3 LEU A 89 2.288 -8.166 6.661 1.00 0.48 H new ATOM 0 HG LEU A 89 2.954 -5.876 7.152 1.00 0.78 H new ATOM 0 HD11 LEU A 89 4.697 -4.767 5.828 1.00 1.25 H new ATOM 0 HD12 LEU A 89 5.356 -6.135 6.756 1.00 1.25 H new ATOM 0 HD13 LEU A 89 5.058 -6.306 5.010 1.00 1.25 H new ATOM 0 HD21 LEU A 89 2.336 -4.834 5.022 1.00 1.31 H new ATOM 0 HD22 LEU A 89 2.636 -6.371 4.178 1.00 1.31 H new ATOM 0 HD23 LEU A 89 1.321 -6.253 5.372 1.00 1.31 H new ATOM 1438 N HIS A 90 6.428 -9.566 7.401 1.00 0.55 N ATOM 1439 CA HIS A 90 7.725 -10.003 6.884 1.00 0.64 C ATOM 1440 C HIS A 90 7.615 -10.608 5.485 1.00 0.60 C ATOM 1441 O HIS A 90 8.611 -10.704 4.767 1.00 0.69 O ATOM 1442 CB HIS A 90 8.351 -11.025 7.836 1.00 0.81 C ATOM 1443 CG HIS A 90 9.470 -10.473 8.664 1.00 0.97 C ATOM 1444 ND1 HIS A 90 10.573 -11.218 9.026 1.00 1.62 N ATOM 1445 CD2 HIS A 90 9.654 -9.244 9.204 1.00 0.98 C ATOM 1446 CE1 HIS A 90 11.386 -10.473 9.754 1.00 1.84 C ATOM 1447 NE2 HIS A 90 10.853 -9.272 9.876 1.00 1.38 N ATOM 0 H HIS A 90 6.217 -9.907 8.339 1.00 0.55 H new ATOM 0 HA HIS A 90 8.360 -9.120 6.815 1.00 0.64 H new ATOM 0 HB2 HIS A 90 7.577 -11.412 8.499 1.00 0.81 H new ATOM 0 HB3 HIS A 90 8.723 -11.869 7.255 1.00 0.81 H new ATOM 0 HD2 HIS A 90 8.984 -8.401 9.122 1.00 0.98 H new ATOM 0 HE1 HIS A 90 12.327 -10.793 10.177 1.00 1.84 H new ATOM 0 HE2 HIS A 90 11.264 -8.491 10.387 1.00 1.38 H new ATOM 1456 N ASN A 91 6.410 -11.014 5.099 1.00 0.54 N ATOM 1457 CA ASN A 91 6.195 -11.615 3.787 1.00 0.55 C ATOM 1458 C ASN A 91 5.874 -10.558 2.732 1.00 0.46 C ATOM 1459 O ASN A 91 6.599 -10.411 1.750 1.00 0.45 O ATOM 1460 CB ASN A 91 5.067 -12.644 3.854 1.00 0.63 C ATOM 1461 CG ASN A 91 5.586 -14.069 3.868 1.00 1.13 C ATOM 1462 OD1 ASN A 91 6.499 -14.402 4.624 1.00 1.98 O ATOM 1463 ND2 ASN A 91 5.006 -14.918 3.029 1.00 1.60 N ATOM 0 H ASN A 91 5.570 -10.938 5.673 1.00 0.54 H new ATOM 0 HA ASN A 91 7.120 -12.112 3.495 1.00 0.55 H new ATOM 0 HB2 ASN A 91 4.471 -12.468 4.750 1.00 0.63 H new ATOM 0 HB3 ASN A 91 4.405 -12.510 2.999 1.00 0.63 H new ATOM 0 HD21 ASN A 91 5.314 -15.890 2.993 1.00 1.60 H new ATOM 0 HD22 ASN A 91 4.253 -14.599 2.420 1.00 1.60 H new ATOM 1470 N ALA A 92 4.783 -9.829 2.940 1.00 0.42 N ATOM 1471 CA ALA A 92 4.361 -8.791 2.001 1.00 0.39 C ATOM 1472 C ALA A 92 5.482 -7.794 1.718 1.00 0.36 C ATOM 1473 O ALA A 92 5.491 -7.137 0.676 1.00 0.38 O ATOM 1474 CB ALA A 92 3.136 -8.068 2.536 1.00 0.41 C ATOM 0 H ALA A 92 4.173 -9.936 3.751 1.00 0.42 H new ATOM 0 HA ALA A 92 4.109 -9.278 1.059 1.00 0.39 H new ATOM 0 HB1 ALA A 92 2.831 -7.297 1.828 1.00 0.41 H new ATOM 0 HB2 ALA A 92 2.322 -8.781 2.670 1.00 0.41 H new ATOM 0 HB3 ALA A 92 3.375 -7.607 3.494 1.00 0.41 H new ATOM 1480 N MET A 93 6.424 -7.684 2.649 1.00 0.39 N ATOM 1481 CA MET A 93 7.546 -6.763 2.501 1.00 0.43 C ATOM 1482 C MET A 93 8.366 -7.075 1.250 1.00 0.40 C ATOM 1483 O MET A 93 8.509 -6.232 0.365 1.00 0.39 O ATOM 1484 CB MET A 93 8.447 -6.823 3.735 1.00 0.55 C ATOM 1485 CG MET A 93 8.266 -5.645 4.679 1.00 0.71 C ATOM 1486 SD MET A 93 8.619 -6.073 6.395 1.00 1.06 S ATOM 1487 CE MET A 93 10.213 -5.289 6.619 1.00 1.29 C ATOM 0 H MET A 93 6.433 -8.222 3.515 1.00 0.39 H new ATOM 0 HA MET A 93 7.136 -5.758 2.398 1.00 0.43 H new ATOM 0 HB2 MET A 93 8.245 -7.747 4.277 1.00 0.55 H new ATOM 0 HB3 MET A 93 9.488 -6.863 3.413 1.00 0.55 H new ATOM 0 HG2 MET A 93 8.922 -4.831 4.369 1.00 0.71 H new ATOM 0 HG3 MET A 93 7.243 -5.277 4.603 1.00 0.71 H new ATOM 0 HE1 MET A 93 10.365 -5.070 7.676 1.00 1.29 H new ATOM 0 HE2 MET A 93 11.000 -5.958 6.270 1.00 1.29 H new ATOM 0 HE3 MET A 93 10.246 -4.361 6.048 1.00 1.29 H new ATOM 1497 N ARG A 94 8.902 -8.291 1.187 1.00 0.44 N ATOM 1498 CA ARG A 94 9.725 -8.712 0.054 1.00 0.45 C ATOM 1499 C ARG A 94 8.970 -8.609 -1.271 1.00 0.44 C ATOM 1500 O ARG A 94 9.581 -8.627 -2.340 1.00 0.49 O ATOM 1501 CB ARG A 94 10.219 -10.146 0.264 1.00 0.55 C ATOM 1502 CG ARG A 94 9.168 -11.208 -0.019 1.00 1.28 C ATOM 1503 CD ARG A 94 9.643 -12.589 0.405 1.00 1.44 C ATOM 1504 NE ARG A 94 10.410 -13.250 -0.648 1.00 1.97 N ATOM 1505 CZ ARG A 94 9.896 -14.149 -1.481 1.00 2.47 C ATOM 1506 NH1 ARG A 94 8.619 -14.495 -1.389 1.00 2.58 N ATOM 1507 NH2 ARG A 94 10.662 -14.704 -2.412 1.00 3.39 N ATOM 0 H ARG A 94 8.782 -9.003 1.907 1.00 0.44 H new ATOM 0 HA ARG A 94 10.579 -8.036 0.002 1.00 0.45 H new ATOM 0 HB2 ARG A 94 11.081 -10.321 -0.380 1.00 0.55 H new ATOM 0 HB3 ARG A 94 10.563 -10.254 1.293 1.00 0.55 H new ATOM 0 HG2 ARG A 94 8.248 -10.960 0.510 1.00 1.28 H new ATOM 0 HG3 ARG A 94 8.933 -11.214 -1.083 1.00 1.28 H new ATOM 0 HD2 ARG A 94 10.257 -12.502 1.301 1.00 1.44 H new ATOM 0 HD3 ARG A 94 8.782 -13.204 0.667 1.00 1.44 H new ATOM 0 HE ARG A 94 11.396 -13.008 -0.750 1.00 1.97 H new ATOM 0 HH11 ARG A 94 8.026 -14.071 -0.676 1.00 2.58 H new ATOM 0 HH12 ARG A 94 8.230 -15.186 -2.031 1.00 2.58 H new ATOM 0 HH21 ARG A 94 11.644 -14.440 -2.488 1.00 3.39 H new ATOM 0 HH22 ARG A 94 10.268 -15.394 -3.052 1.00 3.39 H new ATOM 1521 N LEU A 95 7.647 -8.501 -1.201 1.00 0.44 N ATOM 1522 CA LEU A 95 6.829 -8.406 -2.407 1.00 0.47 C ATOM 1523 C LEU A 95 6.966 -7.037 -3.072 1.00 0.46 C ATOM 1524 O LEU A 95 7.003 -6.940 -4.298 1.00 0.52 O ATOM 1525 CB LEU A 95 5.362 -8.693 -2.083 1.00 0.53 C ATOM 1526 CG LEU A 95 4.855 -10.053 -2.568 1.00 0.55 C ATOM 1527 CD1 LEU A 95 4.482 -10.936 -1.388 1.00 0.79 C ATOM 1528 CD2 LEU A 95 3.666 -9.878 -3.502 1.00 0.67 C ATOM 0 H LEU A 95 7.120 -8.477 -0.328 1.00 0.44 H new ATOM 0 HA LEU A 95 7.190 -9.157 -3.110 1.00 0.47 H new ATOM 0 HB2 LEU A 95 5.224 -8.633 -1.003 1.00 0.53 H new ATOM 0 HB3 LEU A 95 4.746 -7.911 -2.527 1.00 0.53 H new ATOM 0 HG LEU A 95 5.657 -10.541 -3.121 1.00 0.55 H new ATOM 0 HD11 LEU A 95 4.124 -11.899 -1.753 1.00 0.79 H new ATOM 0 HD12 LEU A 95 5.358 -11.090 -0.758 1.00 0.79 H new ATOM 0 HD13 LEU A 95 3.697 -10.453 -0.806 1.00 0.79 H new ATOM 0 HD21 LEU A 95 3.319 -10.856 -3.837 1.00 0.67 H new ATOM 0 HD22 LEU A 95 2.860 -9.368 -2.974 1.00 0.67 H new ATOM 0 HD23 LEU A 95 3.966 -9.284 -4.366 1.00 0.67 H new ATOM 1540 N ILE A 96 7.038 -5.981 -2.263 1.00 0.43 N ATOM 1541 CA ILE A 96 7.174 -4.627 -2.794 1.00 0.50 C ATOM 1542 C ILE A 96 8.516 -4.017 -2.407 1.00 0.61 C ATOM 1543 O ILE A 96 8.743 -2.822 -2.598 1.00 1.29 O ATOM 1544 CB ILE A 96 6.040 -3.700 -2.313 1.00 0.58 C ATOM 1545 CG1 ILE A 96 5.963 -3.685 -0.784 1.00 0.52 C ATOM 1546 CG2 ILE A 96 4.713 -4.134 -2.913 1.00 0.76 C ATOM 1547 CD1 ILE A 96 5.730 -2.303 -0.208 1.00 0.48 C ATOM 0 H ILE A 96 7.005 -6.036 -1.245 1.00 0.43 H new ATOM 0 HA ILE A 96 7.113 -4.714 -3.879 1.00 0.50 H new ATOM 0 HB ILE A 96 6.257 -2.686 -2.650 1.00 0.58 H new ATOM 0 HG12 ILE A 96 5.158 -4.346 -0.461 1.00 0.52 H new ATOM 0 HG13 ILE A 96 6.890 -4.089 -0.377 1.00 0.52 H new ATOM 0 HG21 ILE A 96 3.922 -3.470 -2.564 1.00 0.76 H new ATOM 0 HG22 ILE A 96 4.773 -4.088 -4.000 1.00 0.76 H new ATOM 0 HG23 ILE A 96 4.491 -5.156 -2.605 1.00 0.76 H new ATOM 0 HD11 ILE A 96 5.686 -2.365 0.879 1.00 0.48 H new ATOM 0 HD12 ILE A 96 6.547 -1.644 -0.501 1.00 0.48 H new ATOM 0 HD13 ILE A 96 4.789 -1.905 -0.587 1.00 0.48 H new ATOM 1559 N LYS A 97 9.401 -4.845 -1.863 1.00 0.66 N ATOM 1560 CA LYS A 97 10.723 -4.391 -1.455 1.00 0.66 C ATOM 1561 C LYS A 97 11.566 -4.032 -2.674 1.00 0.82 C ATOM 1562 O LYS A 97 12.438 -3.165 -2.608 1.00 1.43 O ATOM 1563 CB LYS A 97 11.418 -5.480 -0.636 1.00 0.74 C ATOM 1564 CG LYS A 97 11.496 -5.170 0.848 1.00 1.33 C ATOM 1565 CD LYS A 97 12.886 -5.437 1.402 1.00 1.77 C ATOM 1566 CE LYS A 97 13.010 -6.857 1.932 1.00 2.29 C ATOM 1567 NZ LYS A 97 13.688 -7.756 0.959 1.00 2.85 N ATOM 0 H LYS A 97 9.225 -5.836 -1.695 1.00 0.66 H new ATOM 0 HA LYS A 97 10.611 -3.499 -0.839 1.00 0.66 H new ATOM 0 HB2 LYS A 97 10.886 -6.421 -0.774 1.00 0.74 H new ATOM 0 HB3 LYS A 97 12.427 -5.624 -1.022 1.00 0.74 H new ATOM 0 HG2 LYS A 97 11.230 -4.126 1.017 1.00 1.33 H new ATOM 0 HG3 LYS A 97 10.767 -5.776 1.386 1.00 1.33 H new ATOM 0 HD2 LYS A 97 13.628 -5.273 0.621 1.00 1.77 H new ATOM 0 HD3 LYS A 97 13.103 -4.729 2.202 1.00 1.77 H new ATOM 0 HE2 LYS A 97 13.569 -6.848 2.868 1.00 2.29 H new ATOM 0 HE3 LYS A 97 12.018 -7.248 2.157 1.00 2.29 H new ATOM 0 HZ1 LYS A 97 13.753 -8.714 1.358 1.00 2.85 H new ATOM 0 HZ2 LYS A 97 13.142 -7.786 0.075 1.00 2.85 H new ATOM 0 HZ3 LYS A 97 14.644 -7.397 0.763 1.00 2.85 H new ATOM 1581 N ASP A 98 11.297 -4.709 -3.787 1.00 0.74 N ATOM 1582 CA ASP A 98 12.023 -4.476 -5.033 1.00 0.85 C ATOM 1583 C ASP A 98 11.720 -3.094 -5.611 1.00 0.73 C ATOM 1584 O ASP A 98 12.208 -2.745 -6.687 1.00 0.84 O ATOM 1585 CB ASP A 98 11.670 -5.554 -6.058 1.00 1.04 C ATOM 1586 CG ASP A 98 12.857 -5.953 -6.912 1.00 1.30 C ATOM 1587 OD1 ASP A 98 13.360 -5.095 -7.667 1.00 1.64 O ATOM 1588 OD2 ASP A 98 13.283 -7.124 -6.825 1.00 1.63 O ATOM 0 H ASP A 98 10.577 -5.428 -3.852 1.00 0.74 H new ATOM 0 HA ASP A 98 13.089 -4.522 -4.808 1.00 0.85 H new ATOM 0 HB2 ASP A 98 11.288 -6.433 -5.539 1.00 1.04 H new ATOM 0 HB3 ASP A 98 10.869 -5.191 -6.702 1.00 1.04 H new ATOM 1593 N TYR A 99 10.916 -2.309 -4.898 1.00 0.60 N ATOM 1594 CA TYR A 99 10.557 -0.972 -5.355 1.00 0.64 C ATOM 1595 C TYR A 99 11.354 0.092 -4.607 1.00 0.78 C ATOM 1596 O TYR A 99 11.794 1.080 -5.195 1.00 1.08 O ATOM 1597 CB TYR A 99 9.057 -0.734 -5.169 1.00 0.63 C ATOM 1598 CG TYR A 99 8.194 -1.569 -6.089 1.00 0.65 C ATOM 1599 CD1 TYR A 99 7.915 -2.898 -5.794 1.00 0.75 C ATOM 1600 CD2 TYR A 99 7.658 -1.029 -7.252 1.00 0.74 C ATOM 1601 CE1 TYR A 99 7.127 -3.665 -6.632 1.00 0.92 C ATOM 1602 CE2 TYR A 99 6.870 -1.789 -8.094 1.00 0.84 C ATOM 1603 CZ TYR A 99 6.611 -3.104 -7.784 1.00 0.93 C ATOM 1604 OH TYR A 99 5.821 -3.865 -8.615 1.00 1.13 O ATOM 0 H TYR A 99 10.503 -2.576 -4.004 1.00 0.60 H new ATOM 0 HA TYR A 99 10.799 -0.899 -6.415 1.00 0.64 H new ATOM 0 HB2 TYR A 99 8.788 -0.952 -4.135 1.00 0.63 H new ATOM 0 HB3 TYR A 99 8.841 0.321 -5.339 1.00 0.63 H new ATOM 0 HD1 TYR A 99 8.320 -3.339 -4.895 1.00 0.75 H new ATOM 0 HD2 TYR A 99 7.861 0.002 -7.501 1.00 0.74 H new ATOM 0 HE1 TYR A 99 6.916 -4.696 -6.388 1.00 0.92 H new ATOM 0 HE2 TYR A 99 6.459 -1.353 -8.992 1.00 0.84 H new ATOM 0 HH TYR A 99 5.536 -3.324 -9.381 1.00 1.13 H new ATOM 1614 N VAL A 100 11.535 -0.117 -3.306 1.00 0.68 N ATOM 1615 CA VAL A 100 12.291 0.817 -2.480 1.00 0.84 C ATOM 1616 C VAL A 100 13.728 0.334 -2.306 1.00 1.12 C ATOM 1617 O VAL A 100 14.178 -0.552 -3.034 1.00 1.37 O ATOM 1618 CB VAL A 100 11.641 0.998 -1.092 1.00 0.72 C ATOM 1619 CG1 VAL A 100 10.311 1.725 -1.213 1.00 0.99 C ATOM 1620 CG2 VAL A 100 11.460 -0.348 -0.408 1.00 0.84 C ATOM 0 H VAL A 100 11.168 -0.925 -2.802 1.00 0.68 H new ATOM 0 HA VAL A 100 12.289 1.779 -2.992 1.00 0.84 H new ATOM 0 HB VAL A 100 12.305 1.606 -0.478 1.00 0.72 H new ATOM 0 HG11 VAL A 100 9.869 1.842 -0.223 1.00 0.99 H new ATOM 0 HG12 VAL A 100 10.472 2.707 -1.657 1.00 0.99 H new ATOM 0 HG13 VAL A 100 9.637 1.147 -1.845 1.00 0.99 H new ATOM 0 HG21 VAL A 100 11.000 -0.201 0.569 1.00 0.84 H new ATOM 0 HG22 VAL A 100 10.818 -0.983 -1.019 1.00 0.84 H new ATOM 0 HG23 VAL A 100 12.431 -0.826 -0.284 1.00 0.84 H new ATOM 1630 N SER A 101 14.439 0.905 -1.334 1.00 1.24 N ATOM 1631 CA SER A 101 15.828 0.524 -1.075 1.00 1.56 C ATOM 1632 C SER A 101 16.425 1.338 0.063 1.00 1.20 C ATOM 1633 O SER A 101 16.896 0.783 1.053 1.00 1.50 O ATOM 1634 CB SER A 101 16.681 0.705 -2.333 1.00 2.21 C ATOM 1635 OG SER A 101 16.727 2.065 -2.730 1.00 2.53 O ATOM 0 H SER A 101 14.078 1.631 -0.715 1.00 1.24 H new ATOM 0 HA SER A 101 15.827 -0.527 -0.787 1.00 1.56 H new ATOM 0 HB2 SER A 101 17.692 0.344 -2.145 1.00 2.21 H new ATOM 0 HB3 SER A 101 16.272 0.101 -3.143 1.00 2.21 H new ATOM 0 HG SER A 101 17.280 2.152 -3.535 1.00 2.53 H new ATOM 1641 N GLU A 102 16.401 2.652 -0.091 1.00 1.32 N ATOM 1642 CA GLU A 102 16.947 3.556 0.919 1.00 1.81 C ATOM 1643 C GLU A 102 16.413 3.218 2.309 1.00 1.95 C ATOM 1644 O GLU A 102 17.168 3.171 3.278 1.00 2.25 O ATOM 1645 CB GLU A 102 16.611 5.008 0.569 1.00 2.43 C ATOM 1646 CG GLU A 102 15.135 5.242 0.289 1.00 3.30 C ATOM 1647 CD GLU A 102 14.857 5.539 -1.170 1.00 3.82 C ATOM 1648 OE1 GLU A 102 15.549 6.406 -1.742 1.00 4.07 O ATOM 1649 OE2 GLU A 102 13.946 4.905 -1.742 1.00 4.26 O ATOM 0 H GLU A 102 16.009 3.121 -0.907 1.00 1.32 H new ATOM 0 HA GLU A 102 18.030 3.431 0.930 1.00 1.81 H new ATOM 0 HB2 GLU A 102 16.923 5.652 1.391 1.00 2.43 H new ATOM 0 HB3 GLU A 102 17.189 5.305 -0.306 1.00 2.43 H new ATOM 0 HG2 GLU A 102 14.568 4.361 0.591 1.00 3.30 H new ATOM 0 HG3 GLU A 102 14.781 6.073 0.899 1.00 3.30 H new ATOM 1656 N ASP A 103 15.108 2.984 2.395 1.00 1.90 N ATOM 1657 CA ASP A 103 14.469 2.655 3.663 1.00 2.17 C ATOM 1658 C ASP A 103 14.888 1.271 4.158 1.00 1.97 C ATOM 1659 O ASP A 103 14.902 1.013 5.362 1.00 2.18 O ATOM 1660 CB ASP A 103 12.948 2.714 3.518 1.00 2.39 C ATOM 1661 CG ASP A 103 12.376 4.045 3.965 1.00 2.79 C ATOM 1662 OD1 ASP A 103 12.522 5.035 3.219 1.00 3.12 O ATOM 1663 OD2 ASP A 103 11.781 4.096 5.063 1.00 3.15 O ATOM 0 H ASP A 103 14.471 3.016 1.599 1.00 1.90 H new ATOM 0 HA ASP A 103 14.793 3.391 4.399 1.00 2.17 H new ATOM 0 HB2 ASP A 103 12.678 2.537 2.477 1.00 2.39 H new ATOM 0 HB3 ASP A 103 12.498 1.913 4.105 1.00 2.39 H new ATOM 1668 N LEU A 104 15.230 0.385 3.226 1.00 1.66 N ATOM 1669 CA LEU A 104 15.633 -0.974 3.578 1.00 1.57 C ATOM 1670 C LEU A 104 17.116 -1.049 3.926 1.00 1.70 C ATOM 1671 O LEU A 104 17.548 -1.968 4.621 1.00 1.91 O ATOM 1672 CB LEU A 104 15.326 -1.942 2.434 1.00 1.43 C ATOM 1673 CG LEU A 104 14.079 -1.612 1.615 1.00 1.27 C ATOM 1674 CD1 LEU A 104 14.161 -2.258 0.241 1.00 1.68 C ATOM 1675 CD2 LEU A 104 12.826 -2.067 2.348 1.00 1.73 C ATOM 0 H LEU A 104 15.236 0.582 2.225 1.00 1.66 H new ATOM 0 HA LEU A 104 15.059 -1.262 4.459 1.00 1.57 H new ATOM 0 HB2 LEU A 104 16.184 -1.969 1.763 1.00 1.43 H new ATOM 0 HB3 LEU A 104 15.214 -2.944 2.848 1.00 1.43 H new ATOM 0 HG LEU A 104 14.026 -0.531 1.484 1.00 1.27 H new ATOM 0 HD11 LEU A 104 13.265 -2.013 -0.330 1.00 1.68 H new ATOM 0 HD12 LEU A 104 15.040 -1.885 -0.285 1.00 1.68 H new ATOM 0 HD13 LEU A 104 14.237 -3.340 0.351 1.00 1.68 H new ATOM 0 HD21 LEU A 104 11.947 -1.824 1.751 1.00 1.73 H new ATOM 0 HD22 LEU A 104 12.869 -3.144 2.509 1.00 1.73 H new ATOM 0 HD23 LEU A 104 12.763 -1.559 3.310 1.00 1.73 H new ATOM 1687 N HIS A 105 17.892 -0.085 3.440 1.00 1.83 N ATOM 1688 CA HIS A 105 19.328 -0.057 3.702 1.00 2.15 C ATOM 1689 C HIS A 105 19.609 0.256 5.168 1.00 2.44 C ATOM 1690 O HIS A 105 19.989 1.376 5.514 1.00 2.79 O ATOM 1691 CB HIS A 105 20.013 0.972 2.799 1.00 2.42 C ATOM 1692 CG HIS A 105 20.506 0.397 1.505 1.00 2.36 C ATOM 1693 ND1 HIS A 105 21.845 0.263 1.202 1.00 2.91 N ATOM 1694 CD2 HIS A 105 19.830 -0.081 0.431 1.00 2.29 C ATOM 1695 CE1 HIS A 105 21.972 -0.272 0.000 1.00 3.15 C ATOM 1696 NE2 HIS A 105 20.765 -0.490 -0.488 1.00 2.81 N ATOM 0 H HIS A 105 17.552 0.685 2.864 1.00 1.83 H new ATOM 0 HA HIS A 105 19.733 -1.045 3.481 1.00 2.15 H new ATOM 0 HB2 HIS A 105 19.313 1.780 2.585 1.00 2.42 H new ATOM 0 HB3 HIS A 105 20.853 1.412 3.336 1.00 2.42 H new ATOM 0 HD2 HIS A 105 18.757 -0.131 0.319 1.00 2.29 H new ATOM 0 HE1 HIS A 105 22.904 -0.493 -0.498 1.00 3.15 H new ATOM 0 HE2 HIS A 105 20.560 -0.897 -1.401 1.00 2.81 H new ATOM 1705 N LYS A 106 19.424 -0.747 6.023 1.00 2.38 N ATOM 1706 CA LYS A 106 19.647 -0.596 7.457 1.00 2.72 C ATOM 1707 C LYS A 106 19.395 -1.912 8.186 1.00 2.73 C ATOM 1708 O LYS A 106 19.678 -2.036 9.377 1.00 3.11 O ATOM 1709 CB LYS A 106 18.730 0.488 8.026 1.00 2.83 C ATOM 1710 CG LYS A 106 17.255 0.250 7.739 1.00 2.56 C ATOM 1711 CD LYS A 106 16.483 -0.057 9.012 1.00 2.86 C ATOM 1712 CE LYS A 106 15.685 1.147 9.484 1.00 3.00 C ATOM 1713 NZ LYS A 106 16.538 2.358 9.629 1.00 3.43 N ATOM 0 H LYS A 106 19.118 -1.679 5.744 1.00 2.38 H new ATOM 0 HA LYS A 106 20.686 -0.304 7.608 1.00 2.72 H new ATOM 0 HB2 LYS A 106 18.877 0.547 9.104 1.00 2.83 H new ATOM 0 HB3 LYS A 106 19.021 1.453 7.611 1.00 2.83 H new ATOM 0 HG2 LYS A 106 16.830 1.131 7.258 1.00 2.56 H new ATOM 0 HG3 LYS A 106 17.148 -0.578 7.039 1.00 2.56 H new ATOM 0 HD2 LYS A 106 15.809 -0.895 8.837 1.00 2.86 H new ATOM 0 HD3 LYS A 106 17.177 -0.364 9.794 1.00 2.86 H new ATOM 0 HE2 LYS A 106 14.883 1.351 8.775 1.00 3.00 H new ATOM 0 HE3 LYS A 106 15.214 0.918 10.440 1.00 3.00 H new ATOM 0 HZ1 LYS A 106 16.037 3.070 10.198 1.00 3.43 H new ATOM 0 HZ2 LYS A 106 17.428 2.101 10.101 1.00 3.43 H new ATOM 0 HZ3 LYS A 106 16.746 2.751 8.689 1.00 3.43 H new ATOM 1727 N TYR A 107 18.863 -2.894 7.461 1.00 2.40 N ATOM 1728 CA TYR A 107 18.564 -4.198 8.048 1.00 2.46 C ATOM 1729 C TYR A 107 18.660 -5.320 7.014 1.00 2.35 C ATOM 1730 O TYR A 107 18.306 -6.464 7.300 1.00 2.42 O ATOM 1731 CB TYR A 107 17.160 -4.183 8.659 1.00 2.46 C ATOM 1732 CG TYR A 107 16.058 -4.431 7.650 1.00 2.20 C ATOM 1733 CD1 TYR A 107 15.700 -3.455 6.727 1.00 2.03 C ATOM 1734 CD2 TYR A 107 15.382 -5.644 7.615 1.00 2.20 C ATOM 1735 CE1 TYR A 107 14.699 -3.681 5.801 1.00 1.88 C ATOM 1736 CE2 TYR A 107 14.382 -5.878 6.691 1.00 2.07 C ATOM 1737 CZ TYR A 107 14.044 -4.894 5.787 1.00 1.92 C ATOM 1738 OH TYR A 107 13.048 -5.124 4.866 1.00 1.91 O ATOM 0 H TYR A 107 18.631 -2.812 6.471 1.00 2.40 H new ATOM 0 HA TYR A 107 19.306 -4.390 8.823 1.00 2.46 H new ATOM 0 HB2 TYR A 107 17.104 -4.942 9.440 1.00 2.46 H new ATOM 0 HB3 TYR A 107 16.992 -3.219 9.139 1.00 2.46 H new ATOM 0 HD1 TYR A 107 16.213 -2.504 6.734 1.00 2.03 H new ATOM 0 HD2 TYR A 107 15.643 -6.417 8.322 1.00 2.20 H new ATOM 0 HE1 TYR A 107 14.431 -2.911 5.092 1.00 1.88 H new ATOM 0 HE2 TYR A 107 13.868 -6.827 6.677 1.00 2.07 H new ATOM 0 HH TYR A 107 12.690 -6.028 4.990 1.00 1.91 H new ATOM 1748 N ILE A 108 19.140 -4.993 5.817 1.00 2.27 N ATOM 1749 CA ILE A 108 19.263 -5.981 4.752 1.00 2.27 C ATOM 1750 C ILE A 108 20.024 -7.221 5.235 1.00 2.49 C ATOM 1751 O ILE A 108 21.092 -7.102 5.836 1.00 2.67 O ATOM 1752 CB ILE A 108 19.953 -5.372 3.501 1.00 2.29 C ATOM 1753 CG1 ILE A 108 18.947 -5.247 2.355 1.00 2.08 C ATOM 1754 CG2 ILE A 108 21.156 -6.199 3.059 1.00 2.59 C ATOM 1755 CD1 ILE A 108 17.858 -4.229 2.612 1.00 1.86 C ATOM 0 H ILE A 108 19.449 -4.055 5.562 1.00 2.27 H new ATOM 0 HA ILE A 108 18.256 -6.288 4.470 1.00 2.27 H new ATOM 0 HB ILE A 108 20.317 -4.381 3.772 1.00 2.29 H new ATOM 0 HG12 ILE A 108 19.479 -4.975 1.444 1.00 2.08 H new ATOM 0 HG13 ILE A 108 18.489 -6.220 2.178 1.00 2.08 H new ATOM 0 HG21 ILE A 108 21.611 -5.740 2.181 1.00 2.59 H new ATOM 0 HG22 ILE A 108 21.887 -6.239 3.867 1.00 2.59 H new ATOM 0 HG23 ILE A 108 20.832 -7.210 2.812 1.00 2.59 H new ATOM 0 HD11 ILE A 108 17.182 -4.195 1.757 1.00 1.86 H new ATOM 0 HD12 ILE A 108 17.300 -4.511 3.505 1.00 1.86 H new ATOM 0 HD13 ILE A 108 18.306 -3.246 2.759 1.00 1.86 H new ATOM 1767 N PRO A 109 19.473 -8.430 4.993 1.00 2.54 N ATOM 1768 CA PRO A 109 20.116 -9.684 5.406 1.00 2.77 C ATOM 1769 C PRO A 109 21.554 -9.787 4.906 1.00 3.02 C ATOM 1770 O PRO A 109 21.902 -9.222 3.869 1.00 3.11 O ATOM 1771 CB PRO A 109 19.247 -10.764 4.758 1.00 2.80 C ATOM 1772 CG PRO A 109 17.914 -10.125 4.581 1.00 2.70 C ATOM 1773 CD PRO A 109 18.185 -8.670 4.310 1.00 2.48 C ATOM 0 HA PRO A 109 20.183 -9.769 6.491 1.00 2.77 H new ATOM 0 HB2 PRO A 109 19.662 -11.085 3.802 1.00 2.80 H new ATOM 0 HB3 PRO A 109 19.180 -11.650 5.390 1.00 2.80 H new ATOM 0 HG2 PRO A 109 17.369 -10.581 3.754 1.00 2.70 H new ATOM 0 HG3 PRO A 109 17.301 -10.248 5.474 1.00 2.70 H new ATOM 0 HD2 PRO A 109 18.252 -8.466 3.241 1.00 2.48 H new ATOM 0 HD3 PRO A 109 17.395 -8.033 4.707 1.00 2.48 H new ATOM 1781 N ARG A 110 22.383 -10.513 5.649 1.00 3.26 N ATOM 1782 CA ARG A 110 23.783 -10.688 5.280 1.00 3.61 C ATOM 1783 C ARG A 110 23.935 -11.767 4.213 1.00 3.87 C ATOM 1784 O ARG A 110 23.629 -12.941 4.513 1.00 4.38 O ATOM 1785 CB ARG A 110 24.615 -11.051 6.512 1.00 4.21 C ATOM 1786 CG ARG A 110 25.962 -10.348 6.566 1.00 4.62 C ATOM 1787 CD ARG A 110 27.113 -11.341 6.517 1.00 5.34 C ATOM 1788 NE ARG A 110 27.456 -11.713 5.148 1.00 5.83 N ATOM 1789 CZ ARG A 110 28.702 -11.745 4.681 1.00 6.55 C ATOM 1790 NH1 ARG A 110 29.720 -11.439 5.474 1.00 6.84 N ATOM 1791 NH2 ARG A 110 28.930 -12.089 3.420 1.00 7.27 N ATOM 1792 OXT ARG A 110 24.357 -11.430 3.087 1.00 4.05 O ATOM 0 H ARG A 110 22.110 -10.989 6.509 1.00 3.26 H new ATOM 0 HA ARG A 110 24.145 -9.745 4.870 1.00 3.61 H new ATOM 0 HB2 ARG A 110 24.048 -10.802 7.409 1.00 4.21 H new ATOM 0 HB3 ARG A 110 24.776 -12.129 6.526 1.00 4.21 H new ATOM 0 HG2 ARG A 110 26.044 -9.653 5.730 1.00 4.62 H new ATOM 0 HG3 ARG A 110 26.029 -9.757 7.480 1.00 4.62 H new ATOM 0 HD2 ARG A 110 27.986 -10.908 7.005 1.00 5.34 H new ATOM 0 HD3 ARG A 110 26.845 -12.235 7.079 1.00 5.34 H new ATOM 0 HE ARG A 110 26.698 -11.963 4.513 1.00 5.83 H new ATOM 0 HH11 ARG A 110 29.549 -11.178 6.445 1.00 6.84 H new ATOM 0 HH12 ARG A 110 30.674 -11.465 5.113 1.00 6.84 H new ATOM 0 HH21 ARG A 110 28.150 -12.329 2.808 1.00 7.27 H new ATOM 0 HH22 ARG A 110 29.885 -12.113 3.063 1.00 7.27 H new TER 1806 ARG A 110