USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1004 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 92 GLN : amide:sc= -0.219 K(o=0.025,f=-1.5!) USER MOD Set 1.2: A 117 SER OG : rot 180:sc= 0.244 USER MOD Set 2.1: A 53 GLN : amide:sc= -2.94! K(o=-2.4!,f=-0.29) USER MOD Set 2.2: A 85 TYR OH : rot -144:sc= 1.13 USER MOD Set 2.3: A 87 SER OG : rot -44:sc= -1.25 USER MOD Set 2.4: A 93 GLN : amide:sc= 0.637 X(o=-2.4,f=-2.7) USER MOD Set 3.1: A 35 GLN : amide:sc= 0.615 K(o=1.4,f=2.2) USER MOD Set 3.2: A 37 HIS : no HD1:sc= 0 X(o=1.4,f=0.96) USER MOD Set 3.3: A 80 THR OG1 : rot -150:sc= 0.799 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.126 K(o=-0.13,f=-3.1!) USER MOD Single : A 8 GLN : amide:sc= -0.719 K(o=-0.72,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.395 K(o=-0.39,f=-1.8) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 63:sc= 1.5 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 41:sc= 0.0503 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.0107 (180deg=-0.22) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 48:sc= -2.5! USER MOD Single : A 45 THR OG1 : rot -167:sc= -1.04 USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0652) USER MOD Single : A 47 TYR OH : rot -16:sc= -0.584 USER MOD Single : A 51 TYR OH : rot 0:sc= -0.0744 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -169:sc= -0.227 (180deg=-0.546) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 71 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 51:sc= 1.25 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 31:sc= 0.341 USER MOD Single : A 94 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 98 TYR OH : rot 64:sc= 1.26 USER MOD Single : A 100 GLN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 102 SER OG : rot 54:sc= 0.886 USER MOD Single : A 105 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.23) USER MOD Single : A 107 GLN : amide:sc= -4.04! C(o=-4!,f=-5.7!) USER MOD Single : A 108 GLN : amide:sc= 0.114 K(o=0.11,f=-0.57) USER MOD Single : A 110 THR OG1 : rot -63:sc= 1.22 USER MOD Single : A 112 SER OG : rot 46:sc= 0.0258 USER MOD Single : A 114 ASN : amide:sc= -1.33! C(o=-1.3!,f=-4.3!) USER MOD Single : A 115 ASN : amide:sc= -2.16 K(o=-2.2,f=-0.066) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 159:sc= -0.105 (180deg=-0.623) USER MOD Single : A 125 HIS : no HE2:sc= 0.275 K(o=0.28,f=-6!) USER MOD Single : A 126 HIS : no HD1:sc= 0.21 K(o=0.21,f=-1.5) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 128 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=-0.31) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.596 -25.728 15.618 1.00 0.00 N ATOM 2 CA MET A 1 14.194 -25.318 15.859 1.00 0.00 C ATOM 3 C MET A 1 13.550 -26.252 16.873 1.00 0.00 C ATOM 4 O MET A 1 13.257 -27.409 16.569 1.00 0.00 O ATOM 5 CB MET A 1 13.403 -25.338 14.545 1.00 0.00 C ATOM 6 CG MET A 1 11.951 -24.906 14.683 1.00 0.00 C ATOM 7 SD MET A 1 11.065 -24.948 13.112 1.00 0.00 S ATOM 8 CE MET A 1 9.448 -24.367 13.616 1.00 0.00 C ATOM 0 H1 MET A 1 16.031 -25.087 14.925 1.00 0.00 H new ATOM 0 H2 MET A 1 16.128 -25.686 16.510 1.00 0.00 H new ATOM 0 H3 MET A 1 15.615 -26.700 15.249 1.00 0.00 H new ATOM 0 HA MET A 1 14.185 -24.303 16.256 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.898 -24.685 13.826 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.432 -26.346 14.132 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.448 -25.557 15.398 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.913 -23.896 15.091 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.786 -24.338 12.751 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.036 -25.042 14.366 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.536 -23.366 14.039 1.00 0.00 H new ATOM 20 N ASN A 2 13.350 -25.750 18.083 1.00 0.00 N ATOM 21 CA ASN A 2 12.796 -26.553 19.164 1.00 0.00 C ATOM 22 C ASN A 2 11.839 -25.723 20.006 1.00 0.00 C ATOM 23 O ASN A 2 12.096 -24.544 20.264 1.00 0.00 O ATOM 24 CB ASN A 2 13.910 -27.128 20.056 1.00 0.00 C ATOM 25 CG ASN A 2 14.703 -26.063 20.802 1.00 0.00 C ATOM 26 OD1 ASN A 2 14.920 -24.956 20.304 1.00 0.00 O ATOM 27 ND2 ASN A 2 15.133 -26.385 22.010 1.00 0.00 N ATOM 0 H ASN A 2 13.564 -24.787 18.342 1.00 0.00 H new ATOM 0 HA ASN A 2 12.250 -27.383 18.715 1.00 0.00 H new ATOM 0 HB2 ASN A 2 13.468 -27.813 20.779 1.00 0.00 H new ATOM 0 HB3 ASN A 2 14.593 -27.712 19.439 1.00 0.00 H new ATOM 0 HD21 ASN A 2 15.662 -25.708 22.560 1.00 0.00 H new ATOM 0 HD22 ASN A 2 14.936 -27.310 22.392 1.00 0.00 H new ATOM 34 N ASP A 3 10.731 -26.338 20.413 1.00 0.00 N ATOM 35 CA ASP A 3 9.731 -25.676 21.253 1.00 0.00 C ATOM 36 C ASP A 3 9.248 -24.376 20.623 1.00 0.00 C ATOM 37 O ASP A 3 9.210 -23.332 21.277 1.00 0.00 O ATOM 38 CB ASP A 3 10.282 -25.401 22.656 1.00 0.00 C ATOM 39 CG ASP A 3 10.083 -26.570 23.598 1.00 0.00 C ATOM 40 OD1 ASP A 3 8.953 -26.739 24.108 1.00 0.00 O ATOM 41 OD2 ASP A 3 11.051 -27.320 23.842 1.00 0.00 O ATOM 0 H ASP A 3 10.500 -27.302 20.173 1.00 0.00 H new ATOM 0 HA ASP A 3 8.883 -26.355 21.337 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.345 -25.172 22.586 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.792 -24.519 23.069 1.00 0.00 H new ATOM 46 N ASP A 4 8.886 -24.442 19.352 1.00 0.00 N ATOM 47 CA ASP A 4 8.343 -23.281 18.662 1.00 0.00 C ATOM 48 C ASP A 4 6.837 -23.219 18.909 1.00 0.00 C ATOM 49 O ASP A 4 6.291 -24.061 19.629 1.00 0.00 O ATOM 50 CB ASP A 4 8.659 -23.344 17.161 1.00 0.00 C ATOM 51 CG ASP A 4 8.475 -22.004 16.467 1.00 0.00 C ATOM 52 OD1 ASP A 4 9.416 -21.184 16.488 1.00 0.00 O ATOM 53 OD2 ASP A 4 7.393 -21.766 15.901 1.00 0.00 O ATOM 0 H ASP A 4 8.957 -25.283 18.779 1.00 0.00 H new ATOM 0 HA ASP A 4 8.806 -22.374 19.051 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.686 -23.682 17.024 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.014 -24.085 16.689 1.00 0.00 H new ATOM 58 N VAL A 5 6.163 -22.246 18.321 1.00 0.00 N ATOM 59 CA VAL A 5 4.747 -22.048 18.582 1.00 0.00 C ATOM 60 C VAL A 5 3.892 -22.908 17.661 1.00 0.00 C ATOM 61 O VAL A 5 4.259 -23.174 16.513 1.00 0.00 O ATOM 62 CB VAL A 5 4.338 -20.568 18.421 1.00 0.00 C ATOM 63 CG1 VAL A 5 5.075 -19.693 19.421 1.00 0.00 C ATOM 64 CG2 VAL A 5 4.599 -20.088 17.003 1.00 0.00 C ATOM 0 H VAL A 5 6.571 -21.583 17.662 1.00 0.00 H new ATOM 0 HA VAL A 5 4.575 -22.348 19.616 1.00 0.00 H new ATOM 0 HB VAL A 5 3.269 -20.490 18.619 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.771 -18.655 19.289 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.834 -20.016 20.434 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.149 -19.780 19.258 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.303 -19.043 16.912 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.660 -20.186 16.775 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.021 -20.691 16.303 1.00 0.00 H new ATOM 74 N ASP A 6 2.772 -23.372 18.184 1.00 0.00 N ATOM 75 CA ASP A 6 1.797 -24.101 17.387 1.00 0.00 C ATOM 76 C ASP A 6 0.699 -23.128 16.948 1.00 0.00 C ATOM 77 O ASP A 6 0.956 -21.929 16.812 1.00 0.00 O ATOM 78 CB ASP A 6 1.220 -25.270 18.202 1.00 0.00 C ATOM 79 CG ASP A 6 0.414 -26.242 17.357 1.00 0.00 C ATOM 80 OD1 ASP A 6 1.021 -27.042 16.617 1.00 0.00 O ATOM 81 OD2 ASP A 6 -0.832 -26.197 17.424 1.00 0.00 O ATOM 0 H ASP A 6 2.512 -23.257 19.164 1.00 0.00 H new ATOM 0 HA ASP A 6 2.270 -24.522 16.500 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.036 -25.807 18.685 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.586 -24.874 18.995 1.00 0.00 H new ATOM 86 N ILE A 7 -0.505 -23.624 16.709 1.00 0.00 N ATOM 87 CA ILE A 7 -1.615 -22.769 16.337 1.00 0.00 C ATOM 88 C ILE A 7 -2.186 -22.089 17.575 1.00 0.00 C ATOM 89 O ILE A 7 -2.921 -22.701 18.353 1.00 0.00 O ATOM 90 CB ILE A 7 -2.732 -23.560 15.624 1.00 0.00 C ATOM 91 CG1 ILE A 7 -2.170 -24.287 14.401 1.00 0.00 C ATOM 92 CG2 ILE A 7 -3.863 -22.627 15.218 1.00 0.00 C ATOM 93 CD1 ILE A 7 -3.183 -25.161 13.690 1.00 0.00 C ATOM 0 H ILE A 7 -0.736 -24.616 16.767 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.235 -22.019 15.643 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.129 -24.304 16.315 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.783 -23.550 13.698 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.327 -24.904 14.712 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.644 -23.199 14.716 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.277 -22.149 16.106 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.480 -21.864 14.541 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.711 -25.643 12.834 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.553 -25.922 14.377 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.016 -24.547 13.347 1.00 0.00 H new ATOM 105 N GLN A 8 -1.819 -20.835 17.767 1.00 0.00 N ATOM 106 CA GLN A 8 -2.295 -20.065 18.903 1.00 0.00 C ATOM 107 C GLN A 8 -3.368 -19.083 18.456 1.00 0.00 C ATOM 108 O GLN A 8 -4.392 -18.910 19.117 1.00 0.00 O ATOM 109 CB GLN A 8 -1.136 -19.309 19.560 1.00 0.00 C ATOM 110 CG GLN A 8 -1.560 -18.443 20.736 1.00 0.00 C ATOM 111 CD GLN A 8 -0.431 -17.591 21.284 1.00 0.00 C ATOM 112 OE1 GLN A 8 -0.660 -16.487 21.776 1.00 0.00 O ATOM 113 NE2 GLN A 8 0.791 -18.102 21.224 1.00 0.00 N ATOM 0 H GLN A 8 -1.189 -20.325 17.147 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.723 -20.752 19.633 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.391 -20.028 19.900 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.654 -18.680 18.812 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.379 -17.794 20.425 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.944 -19.082 21.531 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.939 -19.021 20.808 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.583 -17.576 21.594 1.00 0.00 H new ATOM 122 N GLN A 9 -3.127 -18.449 17.319 1.00 0.00 N ATOM 123 CA GLN A 9 -4.051 -17.467 16.788 1.00 0.00 C ATOM 124 C GLN A 9 -4.632 -17.959 15.469 1.00 0.00 C ATOM 125 O GLN A 9 -3.980 -17.886 14.427 1.00 0.00 O ATOM 126 CB GLN A 9 -3.342 -16.122 16.596 1.00 0.00 C ATOM 127 CG GLN A 9 -4.273 -14.988 16.200 1.00 0.00 C ATOM 128 CD GLN A 9 -3.534 -13.684 15.971 1.00 0.00 C ATOM 129 OE1 GLN A 9 -3.100 -13.389 14.860 1.00 0.00 O ATOM 130 NE2 GLN A 9 -3.389 -12.892 17.022 1.00 0.00 N ATOM 0 H GLN A 9 -2.296 -18.600 16.747 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.867 -17.327 17.497 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.833 -15.855 17.522 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.574 -16.233 15.831 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.809 -15.263 15.292 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.020 -14.846 16.981 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.764 -13.173 17.928 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.902 -12.001 16.926 1.00 0.00 H new ATOM 139 N SER A 10 -5.847 -18.486 15.524 1.00 0.00 N ATOM 140 CA SER A 10 -6.516 -18.989 14.331 1.00 0.00 C ATOM 141 C SER A 10 -7.229 -17.862 13.585 1.00 0.00 C ATOM 142 O SER A 10 -7.897 -18.093 12.575 1.00 0.00 O ATOM 143 CB SER A 10 -7.510 -20.084 14.716 1.00 0.00 C ATOM 144 OG SER A 10 -6.856 -21.142 15.396 1.00 0.00 O ATOM 0 H SER A 10 -6.391 -18.577 16.382 1.00 0.00 H new ATOM 0 HA SER A 10 -5.763 -19.408 13.664 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.291 -19.665 15.351 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.999 -20.468 13.821 1.00 0.00 H new ATOM 0 HG SER A 10 -7.510 -21.831 15.635 1.00 0.00 H new ATOM 150 N TYR A 11 -7.092 -16.646 14.092 1.00 0.00 N ATOM 151 CA TYR A 11 -7.654 -15.479 13.436 1.00 0.00 C ATOM 152 C TYR A 11 -6.675 -14.315 13.510 1.00 0.00 C ATOM 153 O TYR A 11 -6.587 -13.631 14.529 1.00 0.00 O ATOM 154 CB TYR A 11 -8.994 -15.073 14.064 1.00 0.00 C ATOM 155 CG TYR A 11 -9.670 -13.932 13.328 1.00 0.00 C ATOM 156 CD1 TYR A 11 -9.379 -12.606 13.633 1.00 0.00 C ATOM 157 CD2 TYR A 11 -10.589 -14.182 12.320 1.00 0.00 C ATOM 158 CE1 TYR A 11 -9.980 -11.566 12.950 1.00 0.00 C ATOM 159 CE2 TYR A 11 -11.194 -13.147 11.632 1.00 0.00 C ATOM 160 CZ TYR A 11 -10.888 -11.843 11.954 1.00 0.00 C ATOM 161 OH TYR A 11 -11.485 -10.812 11.267 1.00 0.00 O ATOM 0 H TYR A 11 -6.594 -16.443 14.959 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.834 -15.737 12.392 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.660 -15.936 14.076 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -8.830 -14.783 15.102 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -8.671 -12.386 14.418 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.836 -15.203 12.068 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.739 -10.543 13.196 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.903 -13.360 10.846 1.00 0.00 H new ATOM 0 HH TYR A 11 -10.802 -10.301 10.786 1.00 0.00 H new ATOM 171 N PRO A 12 -5.894 -14.111 12.446 1.00 0.00 N ATOM 172 CA PRO A 12 -5.001 -12.971 12.326 1.00 0.00 C ATOM 173 C PRO A 12 -5.692 -11.802 11.633 1.00 0.00 C ATOM 174 O PRO A 12 -6.918 -11.771 11.520 1.00 0.00 O ATOM 175 CB PRO A 12 -3.882 -13.533 11.455 1.00 0.00 C ATOM 176 CG PRO A 12 -4.569 -14.497 10.542 1.00 0.00 C ATOM 177 CD PRO A 12 -5.803 -14.988 11.267 1.00 0.00 C ATOM 0 HA PRO A 12 -4.661 -12.578 13.284 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.380 -12.744 10.895 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.121 -14.030 12.057 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.840 -14.014 9.603 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.911 -15.329 10.294 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.692 -14.909 10.641 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.707 -16.035 11.554 1.00 0.00 H new ATOM 185 N PHE A 13 -4.911 -10.840 11.178 1.00 0.00 N ATOM 186 CA PHE A 13 -5.459 -9.738 10.413 1.00 0.00 C ATOM 187 C PHE A 13 -5.229 -9.989 8.930 1.00 0.00 C ATOM 188 O PHE A 13 -4.139 -10.397 8.527 1.00 0.00 O ATOM 189 CB PHE A 13 -4.809 -8.417 10.834 1.00 0.00 C ATOM 190 CG PHE A 13 -4.961 -8.110 12.299 1.00 0.00 C ATOM 191 CD1 PHE A 13 -6.164 -7.640 12.803 1.00 0.00 C ATOM 192 CD2 PHE A 13 -3.900 -8.293 13.171 1.00 0.00 C ATOM 193 CE1 PHE A 13 -6.305 -7.358 14.149 1.00 0.00 C ATOM 194 CE2 PHE A 13 -4.035 -8.012 14.518 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.238 -7.542 15.007 1.00 0.00 C ATOM 0 H PHE A 13 -3.902 -10.800 11.324 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.529 -9.668 10.606 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.748 -8.449 10.586 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.248 -7.605 10.254 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.001 -7.492 12.136 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.957 -8.659 12.794 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.248 -6.994 14.529 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.200 -8.160 15.187 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.344 -7.319 16.058 1.00 0.00 H new ATOM 205 N SER A 14 -6.246 -9.730 8.128 1.00 0.00 N ATOM 206 CA SER A 14 -6.156 -9.933 6.694 1.00 0.00 C ATOM 207 C SER A 14 -6.599 -8.676 5.960 1.00 0.00 C ATOM 208 O SER A 14 -7.643 -8.100 6.270 1.00 0.00 O ATOM 209 CB SER A 14 -7.015 -11.130 6.270 1.00 0.00 C ATOM 210 OG SER A 14 -6.587 -12.322 6.911 1.00 0.00 O ATOM 0 H SER A 14 -7.148 -9.377 8.448 1.00 0.00 H new ATOM 0 HA SER A 14 -5.119 -10.143 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.059 -10.937 6.516 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.960 -11.256 5.189 1.00 0.00 H new ATOM 0 HG SER A 14 -7.153 -13.069 6.624 1.00 0.00 H new ATOM 216 N ILE A 15 -5.791 -8.241 5.008 1.00 0.00 N ATOM 217 CA ILE A 15 -6.098 -7.045 4.246 1.00 0.00 C ATOM 218 C ILE A 15 -6.389 -7.396 2.799 1.00 0.00 C ATOM 219 O ILE A 15 -5.556 -7.990 2.112 1.00 0.00 O ATOM 220 CB ILE A 15 -4.949 -6.018 4.307 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.756 -5.545 5.749 1.00 0.00 C ATOM 222 CG2 ILE A 15 -5.231 -4.834 3.388 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.690 -4.489 5.913 1.00 0.00 C ATOM 0 H ILE A 15 -4.918 -8.699 4.745 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.983 -6.594 4.696 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.032 -6.497 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.702 -5.152 6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.501 -6.403 6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.407 -4.123 3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.333 -5.186 2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.155 -4.345 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.615 -4.208 6.963 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.732 -4.883 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.952 -3.613 5.320 1.00 0.00 H new ATOM 235 N GLU A 16 -7.580 -7.045 2.354 1.00 0.00 N ATOM 236 CA GLU A 16 -7.960 -7.250 0.973 1.00 0.00 C ATOM 237 C GLU A 16 -7.641 -5.999 0.171 1.00 0.00 C ATOM 238 O GLU A 16 -8.040 -4.894 0.544 1.00 0.00 O ATOM 239 CB GLU A 16 -9.450 -7.590 0.862 1.00 0.00 C ATOM 240 CG GLU A 16 -9.865 -8.032 -0.532 1.00 0.00 C ATOM 241 CD GLU A 16 -9.089 -9.243 -1.004 1.00 0.00 C ATOM 242 OE1 GLU A 16 -8.017 -9.070 -1.613 1.00 0.00 O ATOM 243 OE2 GLU A 16 -9.540 -10.378 -0.751 1.00 0.00 O ATOM 0 H GLU A 16 -8.302 -6.615 2.932 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.394 -8.091 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.689 -8.382 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.037 -6.717 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.931 -8.261 -0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.713 -7.210 -1.232 1.00 0.00 H new ATOM 250 N THR A 17 -6.902 -6.174 -0.906 1.00 0.00 N ATOM 251 CA THR A 17 -6.533 -5.065 -1.758 1.00 0.00 C ATOM 252 C THR A 17 -7.376 -5.067 -3.024 1.00 0.00 C ATOM 253 O THR A 17 -7.448 -6.076 -3.729 1.00 0.00 O ATOM 254 CB THR A 17 -5.035 -5.117 -2.126 1.00 0.00 C ATOM 255 OG1 THR A 17 -4.676 -6.437 -2.567 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.168 -4.725 -0.937 1.00 0.00 C ATOM 0 H THR A 17 -6.544 -7.079 -1.212 1.00 0.00 H new ATOM 0 HA THR A 17 -6.718 -4.144 -1.205 1.00 0.00 H new ATOM 0 HB THR A 17 -4.863 -4.406 -2.934 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.390 -6.798 -3.133 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.117 -4.770 -1.223 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.416 -3.711 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.349 -5.414 -0.112 1.00 0.00 H new ATOM 264 N MET A 18 -8.035 -3.947 -3.295 1.00 0.00 N ATOM 265 CA MET A 18 -8.839 -3.813 -4.501 1.00 0.00 C ATOM 266 C MET A 18 -7.968 -4.008 -5.736 1.00 0.00 C ATOM 267 O MET A 18 -6.792 -3.635 -5.733 1.00 0.00 O ATOM 268 CB MET A 18 -9.530 -2.447 -4.547 1.00 0.00 C ATOM 269 CG MET A 18 -10.533 -2.237 -3.423 1.00 0.00 C ATOM 270 SD MET A 18 -11.796 -3.522 -3.365 1.00 0.00 S ATOM 271 CE MET A 18 -12.781 -2.964 -1.977 1.00 0.00 C ATOM 0 H MET A 18 -8.028 -3.121 -2.697 1.00 0.00 H new ATOM 0 HA MET A 18 -9.610 -4.583 -4.487 1.00 0.00 H new ATOM 0 HB2 MET A 18 -8.773 -1.664 -4.499 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.041 -2.339 -5.504 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.004 -2.211 -2.470 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.014 -1.267 -3.548 1.00 0.00 H new ATOM 0 HE1 MET A 18 -13.606 -3.658 -1.814 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.159 -2.923 -1.083 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.178 -1.971 -2.189 1.00 0.00 H new ATOM 281 N PRO A 19 -8.535 -4.617 -6.792 1.00 0.00 N ATOM 282 CA PRO A 19 -7.817 -4.936 -8.029 1.00 0.00 C ATOM 283 C PRO A 19 -6.984 -3.771 -8.555 1.00 0.00 C ATOM 284 O PRO A 19 -7.515 -2.710 -8.894 1.00 0.00 O ATOM 285 CB PRO A 19 -8.933 -5.289 -9.027 1.00 0.00 C ATOM 286 CG PRO A 19 -10.221 -4.988 -8.333 1.00 0.00 C ATOM 287 CD PRO A 19 -9.934 -5.052 -6.864 1.00 0.00 C ATOM 0 HA PRO A 19 -7.100 -5.741 -7.869 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.837 -4.704 -9.942 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.881 -6.339 -9.314 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.592 -4.002 -8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.990 -5.709 -8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.592 -4.397 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.066 -6.059 -6.469 1.00 0.00 H new ATOM 295 N VAL A 20 -5.675 -3.969 -8.597 1.00 0.00 N ATOM 296 CA VAL A 20 -4.768 -2.958 -9.115 1.00 0.00 C ATOM 297 C VAL A 20 -4.741 -2.997 -10.640 1.00 0.00 C ATOM 298 O VAL A 20 -4.863 -4.065 -11.238 1.00 0.00 O ATOM 299 CB VAL A 20 -3.334 -3.139 -8.559 1.00 0.00 C ATOM 300 CG1 VAL A 20 -3.325 -2.959 -7.050 1.00 0.00 C ATOM 301 CG2 VAL A 20 -2.766 -4.501 -8.934 1.00 0.00 C ATOM 0 H VAL A 20 -5.217 -4.823 -8.278 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.138 -1.987 -8.786 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.700 -2.375 -9.008 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.310 -3.089 -6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.679 -1.959 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.980 -3.700 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.758 -4.599 -8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.400 -5.286 -8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.732 -4.595 -10.019 1.00 0.00 H new ATOM 311 N PRO A 21 -4.618 -1.830 -11.283 1.00 0.00 N ATOM 312 CA PRO A 21 -4.589 -1.728 -12.744 1.00 0.00 C ATOM 313 C PRO A 21 -3.368 -2.413 -13.347 1.00 0.00 C ATOM 314 O PRO A 21 -2.260 -2.330 -12.808 1.00 0.00 O ATOM 315 CB PRO A 21 -4.536 -0.218 -13.009 1.00 0.00 C ATOM 316 CG PRO A 21 -4.950 0.422 -11.728 1.00 0.00 C ATOM 317 CD PRO A 21 -4.508 -0.513 -10.643 1.00 0.00 C ATOM 0 HA PRO A 21 -5.450 -2.219 -13.197 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.533 0.095 -13.299 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.205 0.062 -13.823 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.487 1.402 -11.613 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.029 0.574 -11.698 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.488 -0.304 -10.320 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.144 -0.438 -9.761 1.00 0.00 H new ATOM 325 N LYS A 22 -3.579 -3.085 -14.469 1.00 0.00 N ATOM 326 CA LYS A 22 -2.510 -3.797 -15.150 1.00 0.00 C ATOM 327 C LYS A 22 -1.841 -2.893 -16.179 1.00 0.00 C ATOM 328 O LYS A 22 -0.738 -3.168 -16.643 1.00 0.00 O ATOM 329 CB LYS A 22 -3.042 -5.075 -15.816 1.00 0.00 C ATOM 330 CG LYS A 22 -3.250 -6.241 -14.848 1.00 0.00 C ATOM 331 CD LYS A 22 -4.317 -5.941 -13.803 1.00 0.00 C ATOM 332 CE LYS A 22 -4.374 -7.012 -12.722 1.00 0.00 C ATOM 333 NZ LYS A 22 -4.883 -8.311 -13.235 1.00 0.00 N ATOM 0 H LYS A 22 -4.487 -3.152 -14.929 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.766 -4.088 -14.409 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.989 -4.850 -16.306 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.345 -5.383 -16.595 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.535 -7.131 -15.410 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.308 -6.468 -14.348 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.113 -4.973 -13.344 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.289 -5.865 -14.289 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.378 -7.155 -12.304 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.015 -6.670 -11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.903 -9.006 -12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.845 -8.183 -13.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.258 -8.654 -13.993 1.00 0.00 H new ATOM 347 N LYS A 23 -2.510 -1.813 -16.536 1.00 0.00 N ATOM 348 CA LYS A 23 -1.918 -0.825 -17.420 1.00 0.00 C ATOM 349 C LYS A 23 -1.836 0.521 -16.720 1.00 0.00 C ATOM 350 O LYS A 23 -2.857 1.113 -16.369 1.00 0.00 O ATOM 351 CB LYS A 23 -2.712 -0.708 -18.723 1.00 0.00 C ATOM 352 CG LYS A 23 -2.656 -1.960 -19.584 1.00 0.00 C ATOM 353 CD LYS A 23 -1.219 -2.342 -19.920 1.00 0.00 C ATOM 354 CE LYS A 23 -1.150 -3.585 -20.795 1.00 0.00 C ATOM 355 NZ LYS A 23 -1.802 -4.760 -20.159 1.00 0.00 N ATOM 0 H LYS A 23 -3.459 -1.597 -16.230 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.909 -1.151 -17.672 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.753 -0.486 -18.486 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.329 0.135 -19.298 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.140 -2.785 -19.061 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.215 -1.795 -20.505 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.733 -1.511 -20.431 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.665 -2.517 -18.998 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.630 -3.380 -21.752 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.107 -3.821 -21.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.557 -5.621 -20.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.471 -4.851 -19.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.834 -4.631 -20.166 1.00 0.00 H new ATOM 369 N LEU A 24 -0.616 0.993 -16.507 1.00 0.00 N ATOM 370 CA LEU A 24 -0.388 2.254 -15.815 1.00 0.00 C ATOM 371 C LEU A 24 0.408 3.207 -16.693 1.00 0.00 C ATOM 372 O LEU A 24 1.265 2.781 -17.468 1.00 0.00 O ATOM 373 CB LEU A 24 0.350 2.007 -14.496 1.00 0.00 C ATOM 374 CG LEU A 24 -0.446 1.225 -13.448 1.00 0.00 C ATOM 375 CD1 LEU A 24 0.436 0.854 -12.268 1.00 0.00 C ATOM 376 CD2 LEU A 24 -1.643 2.038 -12.978 1.00 0.00 C ATOM 0 H LEU A 24 0.236 0.518 -16.805 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.354 2.710 -15.597 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.272 1.466 -14.708 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.635 2.969 -14.071 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.806 0.305 -13.909 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.150 0.299 -11.536 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.265 0.236 -12.613 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.828 1.761 -11.807 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.199 1.469 -12.233 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.297 2.973 -12.537 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.291 2.255 -13.827 1.00 0.00 H new ATOM 388 N LYS A 25 0.110 4.493 -16.579 1.00 0.00 N ATOM 389 CA LYS A 25 0.792 5.507 -17.371 1.00 0.00 C ATOM 390 C LYS A 25 1.572 6.438 -16.453 1.00 0.00 C ATOM 391 O LYS A 25 1.381 6.419 -15.236 1.00 0.00 O ATOM 392 CB LYS A 25 -0.206 6.327 -18.204 1.00 0.00 C ATOM 393 CG LYS A 25 -1.184 5.496 -19.023 1.00 0.00 C ATOM 394 CD LYS A 25 -2.445 5.173 -18.232 1.00 0.00 C ATOM 395 CE LYS A 25 -3.407 4.315 -19.037 1.00 0.00 C ATOM 396 NZ LYS A 25 -4.720 4.165 -18.353 1.00 0.00 N ATOM 0 H LYS A 25 -0.600 4.860 -15.945 1.00 0.00 H new ATOM 0 HA LYS A 25 1.475 5.001 -18.053 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.772 6.974 -17.534 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.352 6.976 -18.879 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.452 6.038 -19.930 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.702 4.569 -19.335 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.175 4.653 -17.313 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.940 6.100 -17.941 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.558 4.763 -20.019 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.967 3.331 -19.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.348 3.573 -18.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.579 3.715 -17.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.152 5.102 -18.221 1.00 0.00 H new ATOM 410 N VAL A 26 2.439 7.256 -17.032 1.00 0.00 N ATOM 411 CA VAL A 26 3.200 8.222 -16.255 1.00 0.00 C ATOM 412 C VAL A 26 2.279 9.336 -15.776 1.00 0.00 C ATOM 413 O VAL A 26 1.684 10.054 -16.579 1.00 0.00 O ATOM 414 CB VAL A 26 4.368 8.828 -17.064 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.191 9.768 -16.195 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.246 7.729 -17.643 1.00 0.00 C ATOM 0 H VAL A 26 2.632 7.270 -18.033 1.00 0.00 H new ATOM 0 HA VAL A 26 3.627 7.694 -15.402 1.00 0.00 H new ATOM 0 HB VAL A 26 3.949 9.403 -17.890 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.009 10.185 -16.783 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.557 10.577 -15.832 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.598 9.217 -15.347 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.063 8.176 -18.209 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.654 7.125 -16.833 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.651 7.097 -18.302 1.00 0.00 H new ATOM 426 N GLY A 27 2.136 9.446 -14.466 1.00 0.00 N ATOM 427 CA GLY A 27 1.244 10.436 -13.898 1.00 0.00 C ATOM 428 C GLY A 27 -0.101 9.839 -13.543 1.00 0.00 C ATOM 429 O GLY A 27 -0.989 10.529 -13.039 1.00 0.00 O ATOM 0 H GLY A 27 2.623 8.866 -13.783 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.698 10.866 -13.005 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.105 11.251 -14.609 1.00 0.00 H new ATOM 433 N GLU A 28 -0.253 8.550 -13.808 1.00 0.00 N ATOM 434 CA GLU A 28 -1.485 7.857 -13.483 1.00 0.00 C ATOM 435 C GLU A 28 -1.467 7.434 -12.022 1.00 0.00 C ATOM 436 O GLU A 28 -0.414 7.103 -11.474 1.00 0.00 O ATOM 437 CB GLU A 28 -1.685 6.647 -14.401 1.00 0.00 C ATOM 438 CG GLU A 28 -3.023 5.949 -14.213 1.00 0.00 C ATOM 439 CD GLU A 28 -4.194 6.909 -14.302 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.666 7.180 -15.424 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.641 7.406 -13.246 1.00 0.00 O ATOM 0 H GLU A 28 0.460 7.967 -14.246 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.324 8.535 -13.641 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.597 6.971 -15.438 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.883 5.930 -14.222 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.134 5.173 -14.970 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.037 5.452 -13.243 1.00 0.00 H new ATOM 448 N THR A 29 -2.628 7.454 -11.396 1.00 0.00 N ATOM 449 CA THR A 29 -2.730 7.159 -9.983 1.00 0.00 C ATOM 450 C THR A 29 -3.565 5.910 -9.758 1.00 0.00 C ATOM 451 O THR A 29 -4.758 5.888 -10.056 1.00 0.00 O ATOM 452 CB THR A 29 -3.357 8.337 -9.220 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.750 9.559 -9.647 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.171 8.176 -7.720 1.00 0.00 C ATOM 0 H THR A 29 -3.516 7.673 -11.847 1.00 0.00 H new ATOM 0 HA THR A 29 -1.721 6.991 -9.606 1.00 0.00 H new ATOM 0 HB THR A 29 -4.425 8.357 -9.435 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.151 10.310 -9.162 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.624 9.023 -7.204 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.649 7.253 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.107 8.136 -7.488 1.00 0.00 H new ATOM 462 N ALA A 30 -2.928 4.870 -9.248 1.00 0.00 N ATOM 463 CA ALA A 30 -3.620 3.636 -8.929 1.00 0.00 C ATOM 464 C ALA A 30 -4.095 3.666 -7.484 1.00 0.00 C ATOM 465 O ALA A 30 -3.296 3.522 -6.556 1.00 0.00 O ATOM 466 CB ALA A 30 -2.713 2.436 -9.177 1.00 0.00 C ATOM 0 H ALA A 30 -1.928 4.857 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.490 3.540 -9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.248 1.519 -8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.417 2.415 -10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.825 2.516 -8.550 1.00 0.00 H new ATOM 472 N GLU A 31 -5.385 3.906 -7.290 1.00 0.00 N ATOM 473 CA GLU A 31 -5.953 3.895 -5.954 1.00 0.00 C ATOM 474 C GLU A 31 -6.109 2.459 -5.481 1.00 0.00 C ATOM 475 O GLU A 31 -7.039 1.750 -5.881 1.00 0.00 O ATOM 476 CB GLU A 31 -7.303 4.618 -5.915 1.00 0.00 C ATOM 477 CG GLU A 31 -7.931 4.664 -4.528 1.00 0.00 C ATOM 478 CD GLU A 31 -9.263 5.386 -4.508 1.00 0.00 C ATOM 479 OE1 GLU A 31 -10.294 4.754 -4.815 1.00 0.00 O ATOM 480 OE2 GLU A 31 -9.288 6.590 -4.180 1.00 0.00 O ATOM 0 H GLU A 31 -6.051 4.109 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.275 4.427 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.170 5.637 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.991 4.122 -6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.070 3.646 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.245 5.158 -3.840 1.00 0.00 H new ATOM 487 N ILE A 32 -5.171 2.024 -4.662 1.00 0.00 N ATOM 488 CA ILE A 32 -5.224 0.702 -4.079 1.00 0.00 C ATOM 489 C ILE A 32 -5.942 0.777 -2.745 1.00 0.00 C ATOM 490 O ILE A 32 -5.356 1.166 -1.733 1.00 0.00 O ATOM 491 CB ILE A 32 -3.811 0.114 -3.863 1.00 0.00 C ATOM 492 CG1 ILE A 32 -2.982 0.237 -5.144 1.00 0.00 C ATOM 493 CG2 ILE A 32 -3.901 -1.342 -3.420 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.536 -0.185 -4.980 1.00 0.00 C ATOM 0 H ILE A 32 -4.358 2.574 -4.385 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.759 0.049 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.315 0.681 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.442 -0.371 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.012 1.271 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.897 -1.740 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.457 -1.404 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.413 -1.924 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.013 -0.070 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.058 0.439 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.495 -1.228 -4.667 1.00 0.00 H new ATOM 506 N ARG A 33 -7.215 0.436 -2.743 1.00 0.00 N ATOM 507 CA ARG A 33 -7.991 0.483 -1.525 1.00 0.00 C ATOM 508 C ARG A 33 -7.765 -0.794 -0.741 1.00 0.00 C ATOM 509 O ARG A 33 -8.121 -1.885 -1.191 1.00 0.00 O ATOM 510 CB ARG A 33 -9.474 0.675 -1.838 1.00 0.00 C ATOM 511 CG ARG A 33 -10.306 1.093 -0.639 1.00 0.00 C ATOM 512 CD ARG A 33 -11.753 1.330 -1.035 1.00 0.00 C ATOM 513 NE ARG A 33 -12.527 1.968 0.026 1.00 0.00 N ATOM 514 CZ ARG A 33 -13.421 2.933 -0.192 1.00 0.00 C ATOM 515 NH1 ARG A 33 -13.576 3.437 -1.412 1.00 0.00 N ATOM 516 NH2 ARG A 33 -14.131 3.421 0.815 1.00 0.00 N ATOM 0 H ARG A 33 -7.730 0.125 -3.567 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.668 1.333 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.576 1.428 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.874 -0.256 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.257 0.321 0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.891 2.002 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.784 1.954 -1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.216 0.378 -1.295 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.376 1.659 0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.010 3.086 -2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.261 4.175 -1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.994 3.058 1.758 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.814 4.159 0.647 1.00 0.00 H new ATOM 530 N CYS A 34 -7.148 -0.652 0.414 1.00 0.00 N ATOM 531 CA CYS A 34 -6.813 -1.789 1.243 1.00 0.00 C ATOM 532 C CYS A 34 -7.734 -1.825 2.448 1.00 0.00 C ATOM 533 O CYS A 34 -7.878 -0.825 3.153 1.00 0.00 O ATOM 534 CB CYS A 34 -5.354 -1.694 1.688 1.00 0.00 C ATOM 535 SG CYS A 34 -4.189 -1.432 0.329 1.00 0.00 S ATOM 0 H CYS A 34 -6.867 0.249 0.802 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.942 -2.708 0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.255 -0.876 2.402 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.084 -2.610 2.213 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.622 -0.473 -0.435 1.00 0.00 H new ATOM 541 N GLN A 35 -8.375 -2.957 2.669 1.00 0.00 N ATOM 542 CA GLN A 35 -9.298 -3.082 3.780 1.00 0.00 C ATOM 543 C GLN A 35 -8.917 -4.255 4.671 1.00 0.00 C ATOM 544 O GLN A 35 -8.999 -5.418 4.266 1.00 0.00 O ATOM 545 CB GLN A 35 -10.725 -3.238 3.258 1.00 0.00 C ATOM 546 CG GLN A 35 -11.782 -3.182 4.346 1.00 0.00 C ATOM 547 CD GLN A 35 -13.186 -3.096 3.784 1.00 0.00 C ATOM 548 OE1 GLN A 35 -13.842 -4.115 3.562 1.00 0.00 O ATOM 549 NE2 GLN A 35 -13.651 -1.879 3.540 1.00 0.00 N ATOM 0 H GLN A 35 -8.275 -3.797 2.099 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.244 -2.175 4.382 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.924 -2.452 2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.808 -4.189 2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.699 -4.068 4.975 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.596 -2.319 4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.073 -1.063 3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.587 -1.759 3.153 1.00 0.00 H new ATOM 558 N LEU A 36 -8.490 -3.935 5.880 1.00 0.00 N ATOM 559 CA LEU A 36 -8.153 -4.940 6.871 1.00 0.00 C ATOM 560 C LEU A 36 -9.427 -5.427 7.543 1.00 0.00 C ATOM 561 O LEU A 36 -10.164 -4.646 8.142 1.00 0.00 O ATOM 562 CB LEU A 36 -7.170 -4.356 7.898 1.00 0.00 C ATOM 563 CG LEU A 36 -6.527 -5.358 8.867 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.222 -4.800 9.409 1.00 0.00 C ATOM 565 CD2 LEU A 36 -7.462 -5.685 10.019 1.00 0.00 C ATOM 0 H LEU A 36 -8.368 -2.975 6.201 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.667 -5.789 6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.374 -3.843 7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.695 -3.601 8.484 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.327 -6.276 8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.776 -5.520 10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.536 -4.612 8.583 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.417 -3.867 9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.979 -6.397 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.697 -4.773 10.567 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.382 -6.120 9.629 1.00 0.00 H new ATOM 577 N HIS A 37 -9.690 -6.712 7.428 1.00 0.00 N ATOM 578 CA HIS A 37 -10.884 -7.295 8.013 1.00 0.00 C ATOM 579 C HIS A 37 -10.603 -7.781 9.427 1.00 0.00 C ATOM 580 O HIS A 37 -10.007 -8.842 9.628 1.00 0.00 O ATOM 581 CB HIS A 37 -11.411 -8.443 7.148 1.00 0.00 C ATOM 582 CG HIS A 37 -12.078 -7.986 5.886 1.00 0.00 C ATOM 583 ND1 HIS A 37 -11.594 -8.270 4.627 1.00 0.00 N ATOM 584 CD2 HIS A 37 -13.213 -7.276 5.697 1.00 0.00 C ATOM 585 CE1 HIS A 37 -12.403 -7.753 3.721 1.00 0.00 C ATOM 586 NE2 HIS A 37 -13.395 -7.145 4.342 1.00 0.00 N ATOM 0 H HIS A 37 -9.093 -7.376 6.934 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.651 -6.522 8.058 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.583 -9.104 6.893 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.120 -9.031 7.731 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.858 -6.884 6.470 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -12.274 -7.817 2.651 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -14.169 -6.658 3.891 1.00 0.00 H new ATOM 595 N ARG A 38 -11.013 -6.988 10.405 1.00 0.00 N ATOM 596 CA ARG A 38 -10.831 -7.349 11.799 1.00 0.00 C ATOM 597 C ARG A 38 -12.177 -7.506 12.493 1.00 0.00 C ATOM 598 O ARG A 38 -12.866 -6.524 12.771 1.00 0.00 O ATOM 599 CB ARG A 38 -9.979 -6.304 12.538 1.00 0.00 C ATOM 600 CG ARG A 38 -10.489 -4.875 12.396 1.00 0.00 C ATOM 601 CD ARG A 38 -9.818 -3.931 13.383 1.00 0.00 C ATOM 602 NE ARG A 38 -10.247 -2.545 13.184 1.00 0.00 N ATOM 603 CZ ARG A 38 -10.661 -1.732 14.160 1.00 0.00 C ATOM 604 NH1 ARG A 38 -10.705 -2.157 15.415 1.00 0.00 N ATOM 605 NH2 ARG A 38 -11.022 -0.488 13.879 1.00 0.00 N ATOM 0 H ARG A 38 -11.474 -6.090 10.257 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.305 -8.303 11.827 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.943 -6.562 13.596 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.957 -6.353 12.163 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.309 -4.525 11.380 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.567 -4.857 12.553 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.053 -4.242 14.401 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.736 -3.997 13.271 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.228 -2.174 12.234 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.422 -3.110 15.641 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.022 -1.530 16.155 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.984 -0.151 12.917 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.338 0.132 14.625 1.00 0.00 H new ATOM 619 N ASP A 39 -12.562 -8.745 12.749 1.00 0.00 N ATOM 620 CA ASP A 39 -13.740 -9.007 13.558 1.00 0.00 C ATOM 621 C ASP A 39 -13.394 -8.767 15.011 1.00 0.00 C ATOM 622 O ASP A 39 -14.145 -8.128 15.747 1.00 0.00 O ATOM 623 CB ASP A 39 -14.225 -10.441 13.381 1.00 0.00 C ATOM 624 CG ASP A 39 -15.556 -10.680 14.064 1.00 0.00 C ATOM 625 OD1 ASP A 39 -16.556 -10.044 13.664 1.00 0.00 O ATOM 626 OD2 ASP A 39 -15.616 -11.518 14.990 1.00 0.00 O ATOM 0 H ASP A 39 -12.081 -9.579 12.412 1.00 0.00 H new ATOM 0 HA ASP A 39 -14.540 -8.339 13.239 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.318 -10.663 12.318 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.482 -11.127 13.786 1.00 0.00 H new ATOM 631 N GLY A 40 -12.234 -9.284 15.406 1.00 0.00 N ATOM 632 CA GLY A 40 -11.721 -9.046 16.736 1.00 0.00 C ATOM 633 C GLY A 40 -11.513 -7.571 16.981 1.00 0.00 C ATOM 634 O GLY A 40 -10.686 -6.932 16.322 1.00 0.00 O ATOM 0 H GLY A 40 -11.638 -9.868 14.819 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.416 -9.446 17.474 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.778 -9.576 16.866 1.00 0.00 H new ATOM 638 N ARG A 41 -12.281 -7.021 17.901 1.00 0.00 N ATOM 639 CA ARG A 41 -12.238 -5.594 18.165 1.00 0.00 C ATOM 640 C ARG A 41 -10.990 -5.183 18.929 1.00 0.00 C ATOM 641 O ARG A 41 -10.957 -5.177 20.160 1.00 0.00 O ATOM 642 CB ARG A 41 -13.493 -5.134 18.893 1.00 0.00 C ATOM 643 CG ARG A 41 -14.703 -5.087 17.986 1.00 0.00 C ATOM 644 CD ARG A 41 -14.468 -4.155 16.806 1.00 0.00 C ATOM 645 NE ARG A 41 -15.655 -4.021 15.970 1.00 0.00 N ATOM 646 CZ ARG A 41 -15.642 -4.043 14.638 1.00 0.00 C ATOM 647 NH1 ARG A 41 -14.502 -4.213 13.978 1.00 0.00 N ATOM 648 NH2 ARG A 41 -16.775 -3.909 13.967 1.00 0.00 N ATOM 0 H ARG A 41 -12.943 -7.539 18.479 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.198 -5.097 17.196 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.693 -5.807 19.726 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.322 -4.144 19.317 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.928 -6.090 17.622 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.572 -4.751 18.551 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.171 -3.173 17.174 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.642 -4.533 16.204 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.555 -3.903 16.436 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.628 -4.328 14.491 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.501 -4.229 12.958 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.654 -3.789 14.470 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.769 -3.925 12.947 1.00 0.00 H new ATOM 662 N PHE A 42 -9.957 -4.885 18.165 1.00 0.00 N ATOM 663 CA PHE A 42 -8.747 -4.275 18.686 1.00 0.00 C ATOM 664 C PHE A 42 -8.620 -2.883 18.085 1.00 0.00 C ATOM 665 O PHE A 42 -8.195 -2.729 16.942 1.00 0.00 O ATOM 666 CB PHE A 42 -7.519 -5.126 18.346 1.00 0.00 C ATOM 667 CG PHE A 42 -7.573 -6.517 18.912 1.00 0.00 C ATOM 668 CD1 PHE A 42 -7.294 -6.744 20.249 1.00 0.00 C ATOM 669 CD2 PHE A 42 -7.905 -7.595 18.107 1.00 0.00 C ATOM 670 CE1 PHE A 42 -7.345 -8.022 20.775 1.00 0.00 C ATOM 671 CE2 PHE A 42 -7.957 -8.875 18.625 1.00 0.00 C ATOM 672 CZ PHE A 42 -7.678 -9.089 19.962 1.00 0.00 C ATOM 0 H PHE A 42 -9.932 -5.060 17.160 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.804 -4.207 19.772 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.419 -5.188 17.262 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.626 -4.625 18.720 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.034 -5.914 20.888 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.126 -7.433 17.062 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.125 -8.186 21.820 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.215 -9.707 17.986 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.720 -10.088 20.370 1.00 0.00 H new ATOM 682 N GLU A 43 -9.027 -1.881 18.846 1.00 0.00 N ATOM 683 CA GLU A 43 -9.175 -0.528 18.326 1.00 0.00 C ATOM 684 C GLU A 43 -7.897 0.280 18.508 1.00 0.00 C ATOM 685 O GLU A 43 -7.634 1.227 17.765 1.00 0.00 O ATOM 686 CB GLU A 43 -10.334 0.171 19.040 1.00 0.00 C ATOM 687 CG GLU A 43 -11.018 1.231 18.198 1.00 0.00 C ATOM 688 CD GLU A 43 -11.613 0.649 16.935 1.00 0.00 C ATOM 689 OE1 GLU A 43 -12.235 -0.434 17.009 1.00 0.00 O ATOM 690 OE2 GLU A 43 -11.440 1.252 15.857 1.00 0.00 O ATOM 0 H GLU A 43 -9.263 -1.978 19.834 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.383 -0.595 17.258 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.070 -0.576 19.336 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.961 0.631 19.955 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.804 1.709 18.783 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.299 2.007 17.937 1.00 0.00 H new ATOM 697 N GLU A 44 -7.106 -0.098 19.497 1.00 0.00 N ATOM 698 CA GLU A 44 -5.889 0.634 19.808 1.00 0.00 C ATOM 699 C GLU A 44 -4.683 0.010 19.120 1.00 0.00 C ATOM 700 O GLU A 44 -3.594 0.582 19.120 1.00 0.00 O ATOM 701 CB GLU A 44 -5.670 0.668 21.319 1.00 0.00 C ATOM 702 CG GLU A 44 -5.478 -0.706 21.934 1.00 0.00 C ATOM 703 CD GLU A 44 -5.348 -0.645 23.437 1.00 0.00 C ATOM 704 OE1 GLU A 44 -4.320 -0.137 23.930 1.00 0.00 O ATOM 705 OE2 GLU A 44 -6.285 -1.080 24.131 1.00 0.00 O ATOM 0 H GLU A 44 -7.283 -0.904 20.097 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.002 1.653 19.438 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.795 1.281 21.538 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.525 1.152 21.791 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.323 -1.342 21.670 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.586 -1.170 21.512 1.00 0.00 H new ATOM 712 N THR A 45 -4.881 -1.161 18.536 1.00 0.00 N ATOM 713 CA THR A 45 -3.806 -1.864 17.863 1.00 0.00 C ATOM 714 C THR A 45 -3.418 -1.140 16.579 1.00 0.00 C ATOM 715 O THR A 45 -4.177 -1.106 15.611 1.00 0.00 O ATOM 716 CB THR A 45 -4.214 -3.316 17.564 1.00 0.00 C ATOM 717 OG1 THR A 45 -4.506 -3.985 18.800 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.110 -4.060 16.830 1.00 0.00 C ATOM 0 H THR A 45 -5.779 -1.644 18.516 1.00 0.00 H new ATOM 0 HA THR A 45 -2.939 -1.882 18.523 1.00 0.00 H new ATOM 0 HB THR A 45 -5.096 -3.304 16.923 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.565 -4.951 18.643 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.429 -5.083 16.633 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.898 -3.558 15.886 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.209 -4.073 17.444 1.00 0.00 H new ATOM 726 N LYS A 46 -2.233 -0.550 16.593 1.00 0.00 N ATOM 727 CA LYS A 46 -1.771 0.269 15.488 1.00 0.00 C ATOM 728 C LYS A 46 -1.159 -0.592 14.396 1.00 0.00 C ATOM 729 O LYS A 46 -0.349 -1.480 14.673 1.00 0.00 O ATOM 730 CB LYS A 46 -0.742 1.286 15.989 1.00 0.00 C ATOM 731 CG LYS A 46 -1.253 2.143 17.133 1.00 0.00 C ATOM 732 CD LYS A 46 -2.409 3.026 16.694 1.00 0.00 C ATOM 733 CE LYS A 46 -3.137 3.627 17.885 1.00 0.00 C ATOM 734 NZ LYS A 46 -2.228 4.402 18.768 1.00 0.00 N ATOM 0 H LYS A 46 -1.571 -0.625 17.365 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.627 0.798 15.069 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.154 0.756 16.313 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.449 1.933 15.162 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.575 1.502 17.954 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.443 2.765 17.513 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.035 3.825 16.054 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.108 2.441 16.097 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.936 4.277 17.529 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.607 2.830 18.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.787 4.903 19.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.563 3.754 19.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.697 5.092 18.200 1.00 0.00 H new ATOM 748 N TYR A 47 -1.558 -0.334 13.162 1.00 0.00 N ATOM 749 CA TYR A 47 -1.019 -1.051 12.019 1.00 0.00 C ATOM 750 C TYR A 47 0.016 -0.182 11.318 1.00 0.00 C ATOM 751 O TYR A 47 -0.207 1.006 11.105 1.00 0.00 O ATOM 752 CB TYR A 47 -2.144 -1.432 11.050 1.00 0.00 C ATOM 753 CG TYR A 47 -3.311 -2.125 11.722 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.165 -3.387 12.286 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.558 -1.516 11.792 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.229 -4.021 12.901 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.625 -2.144 12.406 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.456 -3.396 12.956 1.00 0.00 C ATOM 759 OH TYR A 47 -6.518 -4.024 13.565 1.00 0.00 O ATOM 0 H TYR A 47 -2.257 0.370 12.926 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.541 -1.968 12.363 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.504 -0.532 10.552 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.741 -2.085 10.276 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.205 -3.880 12.243 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.696 -0.536 11.360 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.099 -5.001 13.336 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.587 -1.656 12.455 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.317 -4.977 13.672 1.00 0.00 H new ATOM 769 N PHE A 48 1.150 -0.771 10.986 1.00 0.00 N ATOM 770 CA PHE A 48 2.244 -0.041 10.365 1.00 0.00 C ATOM 771 C PHE A 48 2.491 -0.565 8.959 1.00 0.00 C ATOM 772 O PHE A 48 2.575 -1.777 8.752 1.00 0.00 O ATOM 773 CB PHE A 48 3.512 -0.188 11.203 1.00 0.00 C ATOM 774 CG PHE A 48 3.349 0.258 12.628 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.382 1.603 12.956 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.164 -0.671 13.639 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.233 2.012 14.266 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.015 -0.266 14.951 1.00 0.00 C ATOM 779 CZ PHE A 48 3.050 1.078 15.266 1.00 0.00 C ATOM 0 H PHE A 48 1.340 -1.762 11.137 1.00 0.00 H new ATOM 0 HA PHE A 48 1.975 1.014 10.308 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.825 -1.232 11.192 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.312 0.390 10.740 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.526 2.339 12.179 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.136 -1.724 13.399 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.260 3.064 14.509 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.871 -1.000 15.730 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.935 1.397 16.291 1.00 0.00 H new ATOM 789 N ILE A 49 2.599 0.340 7.998 1.00 0.00 N ATOM 790 CA ILE A 49 2.844 -0.054 6.620 1.00 0.00 C ATOM 791 C ILE A 49 4.284 0.254 6.210 1.00 0.00 C ATOM 792 O ILE A 49 4.770 1.374 6.381 1.00 0.00 O ATOM 793 CB ILE A 49 1.864 0.643 5.639 1.00 0.00 C ATOM 794 CG1 ILE A 49 2.179 0.244 4.190 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.917 2.159 5.799 1.00 0.00 C ATOM 796 CD1 ILE A 49 1.284 0.908 3.165 1.00 0.00 C ATOM 0 H ILE A 49 2.521 1.346 8.146 1.00 0.00 H new ATOM 0 HA ILE A 49 2.678 -1.130 6.565 1.00 0.00 H new ATOM 0 HB ILE A 49 0.853 0.313 5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.216 0.497 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.087 -0.838 4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.221 2.623 5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.640 2.427 6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.928 2.512 5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.567 0.577 2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.246 0.635 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.393 1.990 3.233 1.00 0.00 H new ATOM 808 N ARG A 50 4.955 -0.753 5.674 1.00 0.00 N ATOM 809 CA ARG A 50 6.290 -0.590 5.124 1.00 0.00 C ATOM 810 C ARG A 50 6.281 -1.046 3.671 1.00 0.00 C ATOM 811 O ARG A 50 5.478 -1.890 3.290 1.00 0.00 O ATOM 812 CB ARG A 50 7.323 -1.372 5.948 1.00 0.00 C ATOM 813 CG ARG A 50 8.743 -1.255 5.416 1.00 0.00 C ATOM 814 CD ARG A 50 9.758 -1.851 6.377 1.00 0.00 C ATOM 815 NE ARG A 50 9.950 -1.018 7.566 1.00 0.00 N ATOM 816 CZ ARG A 50 10.172 -1.502 8.787 1.00 0.00 C ATOM 817 NH1 ARG A 50 10.168 -2.812 8.999 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.395 -0.678 9.802 1.00 0.00 N ATOM 0 H ARG A 50 4.590 -1.703 5.608 1.00 0.00 H new ATOM 0 HA ARG A 50 6.577 0.461 5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.299 -1.015 6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.038 -2.424 5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.813 -1.762 4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.980 -0.205 5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.428 -2.844 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.712 -1.975 5.864 1.00 0.00 H new ATOM 0 HE ARG A 50 9.911 -0.005 7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.994 -3.453 8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.339 -3.178 9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.397 0.330 9.649 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.565 -1.053 10.735 1.00 0.00 H new ATOM 832 N TYR A 51 7.155 -0.475 2.863 1.00 0.00 N ATOM 833 CA TYR A 51 7.128 -0.704 1.428 1.00 0.00 C ATOM 834 C TYR A 51 8.537 -0.724 0.853 1.00 0.00 C ATOM 835 O TYR A 51 9.320 0.204 1.056 1.00 0.00 O ATOM 836 CB TYR A 51 6.279 0.384 0.755 1.00 0.00 C ATOM 837 CG TYR A 51 6.310 1.698 1.506 1.00 0.00 C ATOM 838 CD1 TYR A 51 7.322 2.621 1.292 1.00 0.00 C ATOM 839 CD2 TYR A 51 5.337 1.999 2.456 1.00 0.00 C ATOM 840 CE1 TYR A 51 7.369 3.801 2.003 1.00 0.00 C ATOM 841 CE2 TYR A 51 5.376 3.181 3.166 1.00 0.00 C ATOM 842 CZ TYR A 51 6.397 4.077 2.937 1.00 0.00 C ATOM 843 OH TYR A 51 6.449 5.251 3.648 1.00 0.00 O ATOM 0 H TYR A 51 7.895 0.153 3.176 1.00 0.00 H new ATOM 0 HA TYR A 51 6.681 -1.679 1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.639 0.543 -0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.248 0.039 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.085 2.412 0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.539 1.295 2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.167 4.507 1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.612 3.402 3.896 1.00 0.00 H new ATOM 0 HH TYR A 51 7.234 5.768 3.369 1.00 0.00 H new ATOM 853 N PHE A 52 8.860 -1.799 0.157 1.00 0.00 N ATOM 854 CA PHE A 52 10.166 -1.954 -0.457 1.00 0.00 C ATOM 855 C PHE A 52 10.025 -1.990 -1.975 1.00 0.00 C ATOM 856 O PHE A 52 9.368 -2.873 -2.525 1.00 0.00 O ATOM 857 CB PHE A 52 10.828 -3.238 0.056 1.00 0.00 C ATOM 858 CG PHE A 52 12.229 -3.453 -0.440 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.250 -2.594 -0.068 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.527 -4.523 -1.268 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.541 -2.798 -0.514 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.818 -4.730 -1.718 1.00 0.00 C ATOM 863 CZ PHE A 52 14.825 -3.866 -1.340 1.00 0.00 C ATOM 0 H PHE A 52 8.229 -2.585 0.002 1.00 0.00 H new ATOM 0 HA PHE A 52 10.796 -1.106 -0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.841 -3.216 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.216 -4.091 -0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.034 -1.756 0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.742 -5.203 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.328 -2.121 -0.216 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.038 -5.567 -2.364 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.834 -4.025 -1.690 1.00 0.00 H new ATOM 873 N GLN A 53 10.626 -1.019 -2.649 1.00 0.00 N ATOM 874 CA GLN A 53 10.553 -0.948 -4.104 1.00 0.00 C ATOM 875 C GLN A 53 11.950 -1.036 -4.714 1.00 0.00 C ATOM 876 O GLN A 53 12.641 -0.028 -4.858 1.00 0.00 O ATOM 877 CB GLN A 53 9.857 0.344 -4.547 1.00 0.00 C ATOM 878 CG GLN A 53 9.696 0.465 -6.054 1.00 0.00 C ATOM 879 CD GLN A 53 8.999 1.745 -6.468 1.00 0.00 C ATOM 880 OE1 GLN A 53 9.639 2.773 -6.697 1.00 0.00 O ATOM 881 NE2 GLN A 53 7.682 1.691 -6.574 1.00 0.00 N ATOM 0 H GLN A 53 11.168 -0.272 -2.215 1.00 0.00 H new ATOM 0 HA GLN A 53 9.966 -1.795 -4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.873 0.395 -4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.428 1.198 -4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.678 0.423 -6.525 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.128 -0.389 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.190 0.820 -6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.158 2.520 -6.854 1.00 0.00 H new ATOM 890 N PRO A 54 12.405 -2.258 -5.025 1.00 0.00 N ATOM 891 CA PRO A 54 13.702 -2.481 -5.660 1.00 0.00 C ATOM 892 C PRO A 54 13.639 -2.311 -7.176 1.00 0.00 C ATOM 893 O PRO A 54 14.669 -2.231 -7.847 1.00 0.00 O ATOM 894 CB PRO A 54 14.011 -3.931 -5.297 1.00 0.00 C ATOM 895 CG PRO A 54 12.677 -4.591 -5.203 1.00 0.00 C ATOM 896 CD PRO A 54 11.694 -3.528 -4.771 1.00 0.00 C ATOM 0 HA PRO A 54 14.457 -1.768 -5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.634 -4.405 -6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.552 -3.996 -4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.388 -5.017 -6.164 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.701 -5.411 -4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.767 -3.587 -5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.429 -3.633 -3.719 1.00 0.00 H new ATOM 904 N ASP A 55 12.423 -2.265 -7.705 1.00 0.00 N ATOM 905 CA ASP A 55 12.205 -2.202 -9.143 1.00 0.00 C ATOM 906 C ASP A 55 11.009 -1.315 -9.464 1.00 0.00 C ATOM 907 O ASP A 55 9.962 -1.414 -8.821 1.00 0.00 O ATOM 908 CB ASP A 55 11.984 -3.615 -9.696 1.00 0.00 C ATOM 909 CG ASP A 55 11.428 -3.615 -11.103 1.00 0.00 C ATOM 910 OD1 ASP A 55 12.201 -3.387 -12.056 1.00 0.00 O ATOM 911 OD2 ASP A 55 10.208 -3.834 -11.253 1.00 0.00 O ATOM 0 H ASP A 55 11.565 -2.270 -7.153 1.00 0.00 H new ATOM 0 HA ASP A 55 13.087 -1.769 -9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.930 -4.157 -9.684 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.300 -4.154 -9.040 1.00 0.00 H new ATOM 916 N GLY A 56 11.171 -0.447 -10.451 1.00 0.00 N ATOM 917 CA GLY A 56 10.103 0.452 -10.833 1.00 0.00 C ATOM 918 C GLY A 56 10.266 1.824 -10.213 1.00 0.00 C ATOM 919 O GLY A 56 11.215 2.066 -9.465 1.00 0.00 O ATOM 0 H GLY A 56 12.027 -0.349 -10.996 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.079 0.546 -11.919 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.146 0.028 -10.528 1.00 0.00 H new ATOM 923 N ALA A 57 9.343 2.724 -10.521 1.00 0.00 N ATOM 924 CA ALA A 57 9.382 4.077 -9.988 1.00 0.00 C ATOM 925 C ALA A 57 7.972 4.628 -9.837 1.00 0.00 C ATOM 926 O ALA A 57 7.266 4.836 -10.824 1.00 0.00 O ATOM 927 CB ALA A 57 10.210 4.982 -10.888 1.00 0.00 C ATOM 0 H ALA A 57 8.554 2.539 -11.141 1.00 0.00 H new ATOM 0 HA ALA A 57 9.851 4.046 -9.004 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.228 5.990 -10.473 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.228 4.598 -10.952 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.768 5.007 -11.884 1.00 0.00 H new ATOM 933 N GLY A 58 7.558 4.855 -8.601 1.00 0.00 N ATOM 934 CA GLY A 58 6.232 5.374 -8.351 1.00 0.00 C ATOM 935 C GLY A 58 6.090 5.928 -6.952 1.00 0.00 C ATOM 936 O GLY A 58 6.529 5.303 -5.986 1.00 0.00 O ATOM 0 H GLY A 58 8.118 4.689 -7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.008 6.158 -9.075 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.499 4.582 -8.502 1.00 0.00 H new ATOM 940 N THR A 59 5.485 7.098 -6.844 1.00 0.00 N ATOM 941 CA THR A 59 5.277 7.734 -5.557 1.00 0.00 C ATOM 942 C THR A 59 3.976 7.246 -4.927 1.00 0.00 C ATOM 943 O THR A 59 2.886 7.524 -5.430 1.00 0.00 O ATOM 944 CB THR A 59 5.239 9.268 -5.699 1.00 0.00 C ATOM 945 OG1 THR A 59 6.397 9.716 -6.416 1.00 0.00 O ATOM 946 CG2 THR A 59 5.190 9.946 -4.339 1.00 0.00 C ATOM 0 H THR A 59 5.128 7.629 -7.638 1.00 0.00 H new ATOM 0 HA THR A 59 6.113 7.464 -4.912 1.00 0.00 H new ATOM 0 HB THR A 59 4.336 9.535 -6.248 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.369 10.691 -6.506 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.164 11.028 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.296 9.625 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.075 9.673 -3.764 1.00 0.00 H new ATOM 954 N LEU A 60 4.097 6.503 -3.840 1.00 0.00 N ATOM 955 CA LEU A 60 2.935 5.988 -3.133 1.00 0.00 C ATOM 956 C LEU A 60 2.489 6.985 -2.072 1.00 0.00 C ATOM 957 O LEU A 60 3.309 7.531 -1.339 1.00 0.00 O ATOM 958 CB LEU A 60 3.266 4.635 -2.492 1.00 0.00 C ATOM 959 CG LEU A 60 2.110 3.945 -1.758 1.00 0.00 C ATOM 960 CD1 LEU A 60 0.967 3.643 -2.714 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.598 2.667 -1.088 1.00 0.00 C ATOM 0 H LEU A 60 4.992 6.242 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 60 2.120 5.845 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.629 3.964 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.085 4.779 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 60 1.738 4.622 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.158 3.154 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.601 4.573 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.321 2.985 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.767 2.187 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.995 1.989 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.381 2.909 -0.370 1.00 0.00 H new ATOM 973 N LYS A 61 1.197 7.249 -2.012 1.00 0.00 N ATOM 974 CA LYS A 61 0.654 8.146 -1.008 1.00 0.00 C ATOM 975 C LYS A 61 -0.405 7.445 -0.175 1.00 0.00 C ATOM 976 O LYS A 61 -1.045 6.496 -0.630 1.00 0.00 O ATOM 977 CB LYS A 61 0.036 9.385 -1.656 1.00 0.00 C ATOM 978 CG LYS A 61 1.025 10.283 -2.375 1.00 0.00 C ATOM 979 CD LYS A 61 0.316 11.482 -2.977 1.00 0.00 C ATOM 980 CE LYS A 61 1.284 12.425 -3.660 1.00 0.00 C ATOM 981 NZ LYS A 61 0.589 13.626 -4.189 1.00 0.00 N ATOM 0 H LYS A 61 0.503 6.855 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 61 1.479 8.451 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.727 9.065 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.470 9.967 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.793 10.619 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.531 9.721 -3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.427 11.140 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.221 12.017 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.056 12.731 -2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.787 11.905 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.280 14.252 -4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.130 13.334 -4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.130 14.135 -3.406 1.00 0.00 H new ATOM 995 N MET A 62 -0.582 7.918 1.042 1.00 0.00 N ATOM 996 CA MET A 62 -1.648 7.441 1.903 1.00 0.00 C ATOM 997 C MET A 62 -2.902 8.277 1.650 1.00 0.00 C ATOM 998 O MET A 62 -2.809 9.390 1.134 1.00 0.00 O ATOM 999 CB MET A 62 -1.223 7.541 3.373 1.00 0.00 C ATOM 1000 CG MET A 62 -2.192 6.885 4.344 1.00 0.00 C ATOM 1001 SD MET A 62 -1.730 7.137 6.068 1.00 0.00 S ATOM 1002 CE MET A 62 -0.130 6.330 6.124 1.00 0.00 C ATOM 0 H MET A 62 0.005 8.640 1.461 1.00 0.00 H new ATOM 0 HA MET A 62 -1.861 6.395 1.681 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.242 7.081 3.489 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.115 8.593 3.638 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.192 7.285 4.178 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.238 5.816 4.137 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.192 6.231 7.161 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.205 5.341 5.672 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.598 6.926 5.573 1.00 0.00 H new ATOM 1012 N SER A 63 -4.061 7.742 2.012 1.00 0.00 N ATOM 1013 CA SER A 63 -5.339 8.421 1.813 1.00 0.00 C ATOM 1014 C SER A 63 -5.399 9.795 2.495 1.00 0.00 C ATOM 1015 O SER A 63 -6.229 10.636 2.142 1.00 0.00 O ATOM 1016 CB SER A 63 -6.459 7.525 2.333 1.00 0.00 C ATOM 1017 OG SER A 63 -6.089 6.926 3.564 1.00 0.00 O ATOM 0 H SER A 63 -4.144 6.825 2.452 1.00 0.00 H new ATOM 0 HA SER A 63 -5.457 8.603 0.745 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.368 8.111 2.466 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.683 6.751 1.599 1.00 0.00 H new ATOM 0 HG SER A 63 -6.820 6.356 3.883 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.532 10.016 3.478 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.471 11.301 4.172 1.00 0.00 C ATOM 1025 C ASP A 64 -3.740 12.344 3.327 1.00 0.00 C ATOM 1026 O ASP A 64 -3.946 13.546 3.486 1.00 0.00 O ATOM 1027 CB ASP A 64 -3.771 11.143 5.527 1.00 0.00 C ATOM 1028 CG ASP A 64 -3.567 12.469 6.239 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -4.506 12.944 6.910 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -2.463 13.043 6.132 1.00 0.00 O ATOM 0 H ASP A 64 -3.862 9.324 3.813 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.492 11.644 4.337 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.361 10.482 6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.804 10.663 5.378 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.915 11.871 2.406 1.00 0.00 N ATOM 1036 CA GLY A 65 -2.077 12.763 1.629 1.00 0.00 C ATOM 1037 C GLY A 65 -0.614 12.562 1.951 1.00 0.00 C ATOM 1038 O GLY A 65 0.264 13.135 1.304 1.00 0.00 O ATOM 0 H GLY A 65 -2.810 10.882 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.245 12.589 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.357 13.797 1.831 1.00 0.00 H new ATOM 1042 N THR A 66 -0.364 11.748 2.966 1.00 0.00 N ATOM 1043 CA THR A 66 0.986 11.421 3.389 1.00 0.00 C ATOM 1044 C THR A 66 1.761 10.740 2.266 1.00 0.00 C ATOM 1045 O THR A 66 1.370 9.672 1.793 1.00 0.00 O ATOM 1046 CB THR A 66 0.940 10.484 4.607 1.00 0.00 C ATOM 1047 OG1 THR A 66 -0.119 10.892 5.482 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.262 10.498 5.362 1.00 0.00 C ATOM 0 H THR A 66 -1.093 11.296 3.518 1.00 0.00 H new ATOM 0 HA THR A 66 1.491 12.350 3.652 1.00 0.00 H new ATOM 0 HB THR A 66 0.761 9.468 4.254 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.150 10.295 6.258 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.199 9.826 6.218 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.063 10.168 4.700 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.472 11.510 5.709 1.00 0.00 H new ATOM 1056 N VAL A 67 2.848 11.362 1.839 1.00 0.00 N ATOM 1057 CA VAL A 67 3.691 10.792 0.801 1.00 0.00 C ATOM 1058 C VAL A 67 4.609 9.736 1.396 1.00 0.00 C ATOM 1059 O VAL A 67 5.335 9.995 2.356 1.00 0.00 O ATOM 1060 CB VAL A 67 4.522 11.878 0.082 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.487 11.256 -0.919 1.00 0.00 C ATOM 1062 CG2 VAL A 67 3.600 12.867 -0.612 1.00 0.00 C ATOM 0 H VAL A 67 3.167 12.263 2.196 1.00 0.00 H new ATOM 0 HA VAL A 67 3.040 10.328 0.060 1.00 0.00 H new ATOM 0 HB VAL A 67 5.111 12.409 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.059 12.043 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.168 10.584 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.925 10.696 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.196 13.628 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.988 12.341 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.954 13.342 0.126 1.00 0.00 H new ATOM 1072 N LEU A 68 4.557 8.544 0.832 1.00 0.00 N ATOM 1073 CA LEU A 68 5.291 7.412 1.360 1.00 0.00 C ATOM 1074 C LEU A 68 6.597 7.210 0.594 1.00 0.00 C ATOM 1075 O LEU A 68 6.591 6.927 -0.605 1.00 0.00 O ATOM 1076 CB LEU A 68 4.417 6.156 1.277 1.00 0.00 C ATOM 1077 CG LEU A 68 3.044 6.276 1.951 1.00 0.00 C ATOM 1078 CD1 LEU A 68 2.234 5.004 1.756 1.00 0.00 C ATOM 1079 CD2 LEU A 68 3.192 6.584 3.433 1.00 0.00 C ATOM 0 H LEU A 68 4.007 8.335 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 68 5.543 7.605 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.269 5.903 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.957 5.325 1.732 1.00 0.00 H new ATOM 0 HG LEU A 68 2.511 7.102 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.264 5.112 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.088 4.825 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.768 4.162 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.205 6.664 3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.751 5.783 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.727 7.526 3.557 1.00 0.00 H new ATOM 1091 N LEU A 69 7.710 7.372 1.297 1.00 0.00 N ATOM 1092 CA LEU A 69 9.032 7.230 0.697 1.00 0.00 C ATOM 1093 C LEU A 69 9.701 5.955 1.198 1.00 0.00 C ATOM 1094 O LEU A 69 9.738 5.706 2.406 1.00 0.00 O ATOM 1095 CB LEU A 69 9.900 8.447 1.032 1.00 0.00 C ATOM 1096 CG LEU A 69 9.363 9.789 0.524 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.255 10.925 0.995 1.00 0.00 C ATOM 1098 CD2 LEU A 69 9.269 9.789 -0.993 1.00 0.00 C ATOM 0 H LEU A 69 7.724 7.603 2.290 1.00 0.00 H new ATOM 0 HA LEU A 69 8.920 7.167 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.014 8.505 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.895 8.290 0.615 1.00 0.00 H new ATOM 0 HG LEU A 69 8.363 9.935 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.862 11.873 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.279 10.941 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.265 10.778 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.886 10.751 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.258 9.621 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.596 8.995 -1.316 1.00 0.00 H new ATOM 1110 N PRO A 70 10.229 5.125 0.277 1.00 0.00 N ATOM 1111 CA PRO A 70 10.808 3.817 0.615 1.00 0.00 C ATOM 1112 C PRO A 70 12.028 3.914 1.530 1.00 0.00 C ATOM 1113 O PRO A 70 13.168 3.969 1.068 1.00 0.00 O ATOM 1114 CB PRO A 70 11.201 3.220 -0.745 1.00 0.00 C ATOM 1115 CG PRO A 70 10.452 4.021 -1.755 1.00 0.00 C ATOM 1116 CD PRO A 70 10.301 5.393 -1.167 1.00 0.00 C ATOM 0 HA PRO A 70 10.096 3.208 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.277 3.287 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.935 2.165 -0.803 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.992 4.059 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.479 3.576 -1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.146 6.035 -1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.403 5.892 -1.531 1.00 0.00 H new ATOM 1124 N ASN A 71 11.772 3.949 2.831 1.00 0.00 N ATOM 1125 CA ASN A 71 12.828 3.993 3.834 1.00 0.00 C ATOM 1126 C ASN A 71 12.274 3.601 5.196 1.00 0.00 C ATOM 1127 O ASN A 71 12.793 2.701 5.856 1.00 0.00 O ATOM 1128 CB ASN A 71 13.463 5.391 3.906 1.00 0.00 C ATOM 1129 CG ASN A 71 14.475 5.520 5.033 1.00 0.00 C ATOM 1130 OD1 ASN A 71 15.651 5.195 4.869 1.00 0.00 O ATOM 1131 ND2 ASN A 71 14.031 6.017 6.177 1.00 0.00 N ATOM 0 H ASN A 71 10.829 3.948 3.220 1.00 0.00 H new ATOM 0 HA ASN A 71 13.601 3.282 3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.952 5.612 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.678 6.135 4.041 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.671 6.142 6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.049 6.275 6.274 1.00 0.00 H new ATOM 1138 N ASP A 72 11.202 4.265 5.603 1.00 0.00 N ATOM 1139 CA ASP A 72 10.615 4.025 6.914 1.00 0.00 C ATOM 1140 C ASP A 72 9.212 3.445 6.762 1.00 0.00 C ATOM 1141 O ASP A 72 8.806 3.076 5.659 1.00 0.00 O ATOM 1142 CB ASP A 72 10.567 5.328 7.719 1.00 0.00 C ATOM 1143 CG ASP A 72 10.796 5.102 9.201 1.00 0.00 C ATOM 1144 OD1 ASP A 72 9.972 4.420 9.844 1.00 0.00 O ATOM 1145 OD2 ASP A 72 11.825 5.585 9.722 1.00 0.00 O ATOM 0 H ASP A 72 10.722 4.972 5.047 1.00 0.00 H new ATOM 0 HA ASP A 72 11.235 3.307 7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.323 6.015 7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.599 5.807 7.573 1.00 0.00 H new ATOM 1150 N LEU A 73 8.475 3.363 7.861 1.00 0.00 N ATOM 1151 CA LEU A 73 7.118 2.844 7.826 1.00 0.00 C ATOM 1152 C LEU A 73 6.176 3.803 8.549 1.00 0.00 C ATOM 1153 O LEU A 73 6.572 4.478 9.500 1.00 0.00 O ATOM 1154 CB LEU A 73 7.053 1.425 8.426 1.00 0.00 C ATOM 1155 CG LEU A 73 6.902 1.307 9.951 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.790 -0.156 10.347 1.00 0.00 C ATOM 1157 CD2 LEU A 73 8.069 1.947 10.680 1.00 0.00 C ATOM 0 H LEU A 73 8.795 3.649 8.786 1.00 0.00 H new ATOM 0 HA LEU A 73 6.797 2.768 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.216 0.902 7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.960 0.895 8.136 1.00 0.00 H new ATOM 0 HG LEU A 73 5.994 1.838 10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.683 -0.233 11.429 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.919 -0.598 9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.688 -0.688 10.032 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.927 1.844 11.756 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.996 1.453 10.387 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.124 3.004 10.421 1.00 0.00 H new ATOM 1169 N TYR A 74 4.941 3.877 8.087 1.00 0.00 N ATOM 1170 CA TYR A 74 3.975 4.816 8.642 1.00 0.00 C ATOM 1171 C TYR A 74 2.788 4.087 9.254 1.00 0.00 C ATOM 1172 O TYR A 74 2.466 2.968 8.855 1.00 0.00 O ATOM 1173 CB TYR A 74 3.491 5.791 7.564 1.00 0.00 C ATOM 1174 CG TYR A 74 4.492 6.872 7.225 1.00 0.00 C ATOM 1175 CD1 TYR A 74 4.490 8.081 7.912 1.00 0.00 C ATOM 1176 CD2 TYR A 74 5.431 6.691 6.221 1.00 0.00 C ATOM 1177 CE1 TYR A 74 5.398 9.076 7.607 1.00 0.00 C ATOM 1178 CE2 TYR A 74 6.342 7.681 5.909 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.322 8.873 6.604 1.00 0.00 C ATOM 1180 OH TYR A 74 7.227 9.864 6.297 1.00 0.00 O ATOM 0 H TYR A 74 4.580 3.299 7.328 1.00 0.00 H new ATOM 0 HA TYR A 74 4.475 5.379 9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.256 5.230 6.659 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.565 6.258 7.899 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.767 8.245 8.697 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.450 5.760 5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.384 10.009 8.152 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.067 7.523 5.124 1.00 0.00 H new ATOM 0 HH TYR A 74 7.809 9.562 5.568 1.00 0.00 H new ATOM 1190 N PRO A 75 2.141 4.709 10.249 1.00 0.00 N ATOM 1191 CA PRO A 75 0.955 4.149 10.891 1.00 0.00 C ATOM 1192 C PRO A 75 -0.297 4.313 10.032 1.00 0.00 C ATOM 1193 O PRO A 75 -0.484 5.334 9.369 1.00 0.00 O ATOM 1194 CB PRO A 75 0.837 4.968 12.174 1.00 0.00 C ATOM 1195 CG PRO A 75 1.432 6.288 11.831 1.00 0.00 C ATOM 1196 CD PRO A 75 2.529 6.007 10.842 1.00 0.00 C ATOM 0 HA PRO A 75 1.044 3.076 11.060 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.203 5.070 12.485 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.371 4.494 12.998 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.683 6.954 11.403 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.826 6.781 12.720 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.596 6.789 10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.502 5.950 11.329 1.00 0.00 H new ATOM 1204 N LEU A 76 -1.136 3.295 10.037 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.397 3.338 9.324 1.00 0.00 C ATOM 1206 C LEU A 76 -3.493 3.870 10.239 1.00 0.00 C ATOM 1207 O LEU A 76 -3.735 3.318 11.313 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.754 1.940 8.815 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.731 1.325 7.856 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -2.092 -0.117 7.546 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.643 2.143 6.575 1.00 0.00 C ATOM 0 H LEU A 76 -0.964 2.420 10.532 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.304 4.007 8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.873 1.276 9.671 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.720 1.987 8.312 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.754 1.337 8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.354 -0.538 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.104 -0.696 8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.078 -0.154 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.911 1.692 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.618 2.162 6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.337 3.161 6.814 1.00 0.00 H new ATOM 1223 N PRO A 77 -4.167 4.954 9.828 1.00 0.00 N ATOM 1224 CA PRO A 77 -5.214 5.593 10.633 1.00 0.00 C ATOM 1225 C PRO A 77 -6.539 4.835 10.585 1.00 0.00 C ATOM 1226 O PRO A 77 -7.592 5.366 10.944 1.00 0.00 O ATOM 1227 CB PRO A 77 -5.356 6.964 9.978 1.00 0.00 C ATOM 1228 CG PRO A 77 -4.997 6.738 8.549 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.951 5.656 8.545 1.00 0.00 C ATOM 0 HA PRO A 77 -4.955 5.628 11.691 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.372 7.346 10.076 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.694 7.695 10.442 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.871 6.437 7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.614 7.652 8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.073 4.984 7.696 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.945 6.072 8.480 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.481 3.593 10.143 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.666 2.776 10.056 1.00 0.00 C ATOM 1239 C GLY A 78 -7.372 1.442 9.417 1.00 0.00 C ATOM 1240 O GLY A 78 -6.221 1.138 9.110 1.00 0.00 O ATOM 0 H GLY A 78 -5.623 3.132 9.840 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.076 2.620 11.054 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.427 3.298 9.477 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.406 0.648 9.211 1.00 0.00 N ATOM 1245 CA GLU A 79 -8.247 -0.662 8.605 1.00 0.00 C ATOM 1246 C GLU A 79 -8.659 -0.631 7.137 1.00 0.00 C ATOM 1247 O GLU A 79 -8.047 -1.288 6.300 1.00 0.00 O ATOM 1248 CB GLU A 79 -9.038 -1.722 9.379 1.00 0.00 C ATOM 1249 CG GLU A 79 -10.113 -1.160 10.293 1.00 0.00 C ATOM 1250 CD GLU A 79 -11.241 -0.493 9.540 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -11.135 0.721 9.264 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -12.231 -1.178 9.225 1.00 0.00 O ATOM 0 H GLU A 79 -9.367 0.887 9.455 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.192 -0.934 8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.504 -2.403 8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.343 -2.312 9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.519 -1.965 10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.662 -0.438 10.974 1.00 0.00 H new ATOM 1259 N THR A 80 -9.700 0.130 6.831 1.00 0.00 N ATOM 1260 CA THR A 80 -10.105 0.336 5.451 1.00 0.00 C ATOM 1261 C THR A 80 -9.631 1.711 4.971 1.00 0.00 C ATOM 1262 O THR A 80 -10.151 2.750 5.383 1.00 0.00 O ATOM 1263 CB THR A 80 -11.639 0.178 5.272 1.00 0.00 C ATOM 1264 OG1 THR A 80 -12.017 0.458 3.916 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.421 1.079 6.220 1.00 0.00 C ATOM 0 H THR A 80 -10.277 0.613 7.519 1.00 0.00 H new ATOM 0 HA THR A 80 -9.635 -0.433 4.838 1.00 0.00 H new ATOM 0 HB THR A 80 -11.885 -0.856 5.513 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.927 0.821 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.490 0.935 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.171 0.827 7.251 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.162 2.120 6.029 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.614 1.713 4.121 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.981 2.954 3.693 1.00 0.00 C ATOM 1275 C PHE A 81 -7.631 2.912 2.208 1.00 0.00 C ATOM 1276 O PHE A 81 -7.757 1.874 1.556 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.719 3.217 4.527 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.715 2.092 4.483 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.814 1.022 5.359 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.678 2.104 3.563 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -4.899 -0.012 5.319 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.759 1.073 3.520 1.00 0.00 C ATOM 1283 CZ PHE A 81 -3.871 0.014 4.398 1.00 0.00 C ATOM 0 H PHE A 81 -8.209 0.870 3.714 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.690 3.767 3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.243 4.130 4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.009 3.392 5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.616 0.997 6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.587 2.929 2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.988 -0.840 6.007 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.954 1.096 2.800 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.155 -0.794 4.365 1.00 0.00 H new ATOM 1293 N ARG A 82 -7.190 4.046 1.681 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.805 4.144 0.281 1.00 0.00 C ATOM 1295 C ARG A 82 -5.307 4.398 0.161 1.00 0.00 C ATOM 1296 O ARG A 82 -4.739 5.178 0.929 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.548 5.294 -0.408 1.00 0.00 C ATOM 1298 CG ARG A 82 -9.032 5.375 -0.091 1.00 0.00 C ATOM 1299 CD ARG A 82 -9.638 6.632 -0.697 1.00 0.00 C ATOM 1300 NE ARG A 82 -10.960 6.944 -0.156 1.00 0.00 N ATOM 1301 CZ ARG A 82 -11.177 7.882 0.772 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -10.155 8.535 1.317 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -12.411 8.162 1.161 1.00 0.00 N ATOM 0 H ARG A 82 -7.090 4.915 2.206 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.064 3.201 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.078 6.235 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.426 5.192 -1.486 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.542 4.494 -0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.180 5.377 0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.970 7.474 -0.518 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.713 6.509 -1.777 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.761 6.417 -0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.201 8.321 1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.325 9.250 2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.200 7.662 0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.572 8.878 1.869 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.673 3.734 -0.790 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.287 4.012 -1.123 1.00 0.00 C ATOM 1319 C LEU A 83 -3.203 4.544 -2.545 1.00 0.00 C ATOM 1320 O LEU A 83 -3.614 3.878 -3.489 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.426 2.756 -0.975 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.258 2.244 0.455 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.421 0.976 0.465 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.619 3.310 1.333 1.00 0.00 C ATOM 0 H LEU A 83 -5.099 2.994 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.905 4.764 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.865 1.962 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.439 2.962 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.244 2.014 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.309 0.622 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.915 0.209 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.438 1.186 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.508 2.927 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.639 3.571 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.252 4.197 1.348 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.693 5.750 -2.694 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.613 6.381 -3.999 1.00 0.00 C ATOM 1338 C TYR A 84 -1.236 6.194 -4.601 1.00 0.00 C ATOM 1339 O TYR A 84 -0.291 6.893 -4.247 1.00 0.00 O ATOM 1340 CB TYR A 84 -2.953 7.868 -3.900 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.413 8.121 -3.604 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.343 8.148 -4.631 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -4.863 8.316 -2.302 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.680 8.361 -4.376 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.202 8.532 -2.039 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.104 8.553 -3.080 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.439 8.754 -2.827 1.00 0.00 O ATOM 0 H TYR A 84 -2.327 6.315 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.342 5.902 -4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.345 8.323 -3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.687 8.359 -4.836 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.014 7.999 -5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.156 8.298 -1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.392 8.377 -5.188 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.539 8.683 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.964 8.052 -3.264 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.122 5.232 -5.498 1.00 0.00 N ATOM 1358 CA TYR A 85 0.146 4.949 -6.136 1.00 0.00 C ATOM 1359 C TYR A 85 0.272 5.726 -7.439 1.00 0.00 C ATOM 1360 O TYR A 85 -0.352 5.381 -8.444 1.00 0.00 O ATOM 1361 CB TYR A 85 0.290 3.448 -6.388 1.00 0.00 C ATOM 1362 CG TYR A 85 1.647 3.053 -6.923 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.779 3.142 -6.122 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.799 2.601 -8.226 1.00 0.00 C ATOM 1365 CE1 TYR A 85 4.022 2.787 -6.604 1.00 0.00 C ATOM 1366 CE2 TYR A 85 3.040 2.245 -8.716 1.00 0.00 C ATOM 1367 CZ TYR A 85 4.147 2.340 -7.901 1.00 0.00 C ATOM 1368 OH TYR A 85 5.385 1.992 -8.388 1.00 0.00 O ATOM 0 H TYR A 85 -1.892 4.635 -5.800 1.00 0.00 H new ATOM 0 HA TYR A 85 0.949 5.266 -5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.106 2.912 -5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.477 3.131 -7.095 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.684 3.495 -5.106 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.933 2.526 -8.867 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.892 2.859 -5.968 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.142 1.894 -9.732 1.00 0.00 H new ATOM 0 HH TYR A 85 5.450 2.249 -9.331 1.00 0.00 H new ATOM 1378 N THR A 86 1.070 6.779 -7.414 1.00 0.00 N ATOM 1379 CA THR A 86 1.311 7.577 -8.600 1.00 0.00 C ATOM 1380 C THR A 86 2.433 6.955 -9.419 1.00 0.00 C ATOM 1381 O THR A 86 3.596 6.962 -9.014 1.00 0.00 O ATOM 1382 CB THR A 86 1.680 9.027 -8.231 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.657 9.595 -7.403 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.856 9.878 -9.481 1.00 0.00 C ATOM 0 H THR A 86 1.563 7.101 -6.581 1.00 0.00 H new ATOM 0 HA THR A 86 0.394 7.598 -9.188 1.00 0.00 H new ATOM 0 HB THR A 86 2.624 9.011 -7.687 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.898 10.516 -7.170 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.116 10.897 -9.194 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.653 9.460 -10.097 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.926 9.887 -10.049 1.00 0.00 H new ATOM 1392 N SER A 87 2.072 6.399 -10.561 1.00 0.00 N ATOM 1393 CA SER A 87 3.019 5.689 -11.394 1.00 0.00 C ATOM 1394 C SER A 87 3.870 6.652 -12.212 1.00 0.00 C ATOM 1395 O SER A 87 3.353 7.446 -12.998 1.00 0.00 O ATOM 1396 CB SER A 87 2.272 4.727 -12.315 1.00 0.00 C ATOM 1397 OG SER A 87 1.476 3.833 -11.556 1.00 0.00 O ATOM 0 H SER A 87 1.123 6.427 -10.933 1.00 0.00 H new ATOM 0 HA SER A 87 3.690 5.124 -10.747 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.642 5.289 -13.004 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.984 4.166 -12.920 1.00 0.00 H new ATOM 0 HG SER A 87 1.992 3.504 -10.791 1.00 0.00 H new ATOM 1403 N ALA A 88 5.176 6.589 -12.006 1.00 0.00 N ATOM 1404 CA ALA A 88 6.114 7.353 -12.810 1.00 0.00 C ATOM 1405 C ALA A 88 6.755 6.432 -13.839 1.00 0.00 C ATOM 1406 O ALA A 88 7.678 6.814 -14.560 1.00 0.00 O ATOM 1407 CB ALA A 88 7.172 7.997 -11.928 1.00 0.00 C ATOM 0 H ALA A 88 5.611 6.013 -11.285 1.00 0.00 H new ATOM 0 HA ALA A 88 5.582 8.152 -13.327 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.866 8.565 -12.548 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.692 8.666 -11.214 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.718 7.222 -11.389 1.00 0.00 H new ATOM 1413 N SER A 89 6.242 5.212 -13.888 1.00 0.00 N ATOM 1414 CA SER A 89 6.733 4.192 -14.790 1.00 0.00 C ATOM 1415 C SER A 89 5.550 3.520 -15.478 1.00 0.00 C ATOM 1416 O SER A 89 4.487 3.364 -14.877 1.00 0.00 O ATOM 1417 CB SER A 89 7.554 3.161 -14.007 1.00 0.00 C ATOM 1418 OG SER A 89 8.201 2.243 -14.871 1.00 0.00 O ATOM 0 H SER A 89 5.469 4.904 -13.298 1.00 0.00 H new ATOM 0 HA SER A 89 7.375 4.644 -15.546 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.298 3.674 -13.398 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.901 2.619 -13.323 1.00 0.00 H new ATOM 0 HG SER A 89 8.717 1.601 -14.339 1.00 0.00 H new ATOM 1424 N THR A 90 5.728 3.151 -16.737 1.00 0.00 N ATOM 1425 CA THR A 90 4.673 2.494 -17.498 1.00 0.00 C ATOM 1426 C THR A 90 4.832 0.981 -17.458 1.00 0.00 C ATOM 1427 O THR A 90 3.889 0.232 -17.719 1.00 0.00 O ATOM 1428 CB THR A 90 4.688 2.958 -18.965 1.00 0.00 C ATOM 1429 OG1 THR A 90 6.024 2.872 -19.492 1.00 0.00 O ATOM 1430 CG2 THR A 90 4.177 4.384 -19.085 1.00 0.00 C ATOM 0 H THR A 90 6.594 3.295 -17.256 1.00 0.00 H new ATOM 0 HA THR A 90 3.723 2.768 -17.039 1.00 0.00 H new ATOM 0 HB THR A 90 4.030 2.306 -19.539 1.00 0.00 H new ATOM 0 HG1 THR A 90 6.499 2.131 -19.060 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.197 4.691 -20.131 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.155 4.437 -18.710 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.813 5.049 -18.500 1.00 0.00 H new ATOM 1438 N ASP A 91 6.034 0.546 -17.118 1.00 0.00 N ATOM 1439 CA ASP A 91 6.394 -0.862 -17.168 1.00 0.00 C ATOM 1440 C ASP A 91 6.114 -1.524 -15.828 1.00 0.00 C ATOM 1441 O ASP A 91 5.384 -0.974 -14.999 1.00 0.00 O ATOM 1442 CB ASP A 91 7.873 -1.007 -17.530 1.00 0.00 C ATOM 1443 CG ASP A 91 8.218 -0.336 -18.846 1.00 0.00 C ATOM 1444 OD1 ASP A 91 8.157 0.912 -18.917 1.00 0.00 O ATOM 1445 OD2 ASP A 91 8.567 -1.044 -19.814 1.00 0.00 O ATOM 0 H ASP A 91 6.786 1.157 -16.800 1.00 0.00 H new ATOM 0 HA ASP A 91 5.792 -1.355 -17.932 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.482 -0.576 -16.736 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.127 -2.065 -17.588 1.00 0.00 H new ATOM 1450 N GLN A 92 6.679 -2.710 -15.621 1.00 0.00 N ATOM 1451 CA GLN A 92 6.486 -3.427 -14.374 1.00 0.00 C ATOM 1452 C GLN A 92 7.070 -2.649 -13.206 1.00 0.00 C ATOM 1453 O GLN A 92 8.209 -2.191 -13.251 1.00 0.00 O ATOM 1454 CB GLN A 92 7.105 -4.823 -14.427 1.00 0.00 C ATOM 1455 CG GLN A 92 6.295 -5.824 -15.236 1.00 0.00 C ATOM 1456 CD GLN A 92 6.667 -7.257 -14.910 1.00 0.00 C ATOM 1457 OE1 GLN A 92 7.547 -7.843 -15.538 1.00 0.00 O ATOM 1458 NE2 GLN A 92 5.991 -7.832 -13.925 1.00 0.00 N ATOM 0 H GLN A 92 7.271 -3.189 -16.300 1.00 0.00 H new ATOM 0 HA GLN A 92 5.411 -3.534 -14.228 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.106 -4.751 -14.853 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.218 -5.199 -13.410 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.233 -5.672 -15.041 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.453 -5.642 -16.299 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.268 -7.310 -13.430 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.194 -8.797 -13.663 1.00 0.00 H new ATOM 1467 N GLN A 93 6.262 -2.489 -12.174 1.00 0.00 N ATOM 1468 CA GLN A 93 6.691 -1.821 -10.959 1.00 0.00 C ATOM 1469 C GLN A 93 6.565 -2.791 -9.795 1.00 0.00 C ATOM 1470 O GLN A 93 5.480 -3.317 -9.534 1.00 0.00 O ATOM 1471 CB GLN A 93 5.852 -0.564 -10.722 1.00 0.00 C ATOM 1472 CG GLN A 93 5.987 0.473 -11.829 1.00 0.00 C ATOM 1473 CD GLN A 93 5.004 1.617 -11.686 1.00 0.00 C ATOM 1474 OE1 GLN A 93 5.290 2.621 -11.034 1.00 0.00 O ATOM 1475 NE2 GLN A 93 3.843 1.477 -12.304 1.00 0.00 N ATOM 0 H GLN A 93 5.296 -2.816 -12.154 1.00 0.00 H new ATOM 0 HA GLN A 93 7.732 -1.511 -11.053 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.804 -0.849 -10.627 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.147 -0.113 -9.774 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.002 0.870 -11.827 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.836 -0.011 -12.794 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.647 0.628 -12.834 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.144 2.218 -12.251 1.00 0.00 H new ATOM 1484 N THR A 94 7.673 -3.049 -9.124 1.00 0.00 N ATOM 1485 CA THR A 94 7.712 -4.039 -8.063 1.00 0.00 C ATOM 1486 C THR A 94 7.702 -3.377 -6.688 1.00 0.00 C ATOM 1487 O THR A 94 8.700 -2.795 -6.258 1.00 0.00 O ATOM 1488 CB THR A 94 8.960 -4.927 -8.199 1.00 0.00 C ATOM 1489 OG1 THR A 94 9.024 -5.476 -9.524 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.941 -6.056 -7.177 1.00 0.00 C ATOM 0 H THR A 94 8.564 -2.583 -9.297 1.00 0.00 H new ATOM 0 HA THR A 94 6.819 -4.657 -8.157 1.00 0.00 H new ATOM 0 HB THR A 94 9.840 -4.311 -8.015 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.450 -4.830 -10.125 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.835 -6.669 -7.295 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.919 -5.636 -6.171 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.055 -6.672 -7.332 1.00 0.00 H new ATOM 1498 N VAL A 95 6.568 -3.462 -6.010 1.00 0.00 N ATOM 1499 CA VAL A 95 6.429 -2.900 -4.675 1.00 0.00 C ATOM 1500 C VAL A 95 6.089 -4.002 -3.677 1.00 0.00 C ATOM 1501 O VAL A 95 4.998 -4.571 -3.713 1.00 0.00 O ATOM 1502 CB VAL A 95 5.330 -1.814 -4.622 1.00 0.00 C ATOM 1503 CG1 VAL A 95 5.296 -1.143 -3.256 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.535 -0.784 -5.723 1.00 0.00 C ATOM 0 H VAL A 95 5.727 -3.917 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 95 7.382 -2.438 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 95 4.368 -2.299 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.515 -0.383 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.088 -1.889 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.260 -0.676 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.750 -0.030 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.507 -0.307 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.495 -1.277 -6.694 1.00 0.00 H new ATOM 1514 N ASP A 96 7.033 -4.315 -2.808 1.00 0.00 N ATOM 1515 CA ASP A 96 6.827 -5.335 -1.789 1.00 0.00 C ATOM 1516 C ASP A 96 6.382 -4.662 -0.497 1.00 0.00 C ATOM 1517 O ASP A 96 7.151 -3.927 0.128 1.00 0.00 O ATOM 1518 CB ASP A 96 8.119 -6.131 -1.572 1.00 0.00 C ATOM 1519 CG ASP A 96 7.916 -7.401 -0.770 1.00 0.00 C ATOM 1520 OD1 ASP A 96 6.776 -7.905 -0.712 1.00 0.00 O ATOM 1521 OD2 ASP A 96 8.912 -7.933 -0.230 1.00 0.00 O ATOM 0 H ASP A 96 7.954 -3.877 -2.786 1.00 0.00 H new ATOM 0 HA ASP A 96 6.053 -6.031 -2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.547 -6.387 -2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.845 -5.499 -1.060 1.00 0.00 H new ATOM 1526 N VAL A 97 5.133 -4.884 -0.114 1.00 0.00 N ATOM 1527 CA VAL A 97 4.541 -4.171 1.008 1.00 0.00 C ATOM 1528 C VAL A 97 4.446 -5.057 2.244 1.00 0.00 C ATOM 1529 O VAL A 97 4.103 -6.236 2.162 1.00 0.00 O ATOM 1530 CB VAL A 97 3.136 -3.633 0.650 1.00 0.00 C ATOM 1531 CG1 VAL A 97 2.555 -2.817 1.793 1.00 0.00 C ATOM 1532 CG2 VAL A 97 3.191 -2.801 -0.621 1.00 0.00 C ATOM 0 H VAL A 97 4.509 -5.553 -0.565 1.00 0.00 H new ATOM 0 HA VAL A 97 5.197 -3.329 1.231 1.00 0.00 H new ATOM 0 HB VAL A 97 2.483 -4.488 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.567 -2.451 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.472 -3.443 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.208 -1.971 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.193 -2.431 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.866 -1.957 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.554 -3.417 -1.444 1.00 0.00 H new ATOM 1542 N TYR A 98 4.757 -4.474 3.389 1.00 0.00 N ATOM 1543 CA TYR A 98 4.706 -5.177 4.657 1.00 0.00 C ATOM 1544 C TYR A 98 3.716 -4.493 5.590 1.00 0.00 C ATOM 1545 O TYR A 98 3.836 -3.298 5.859 1.00 0.00 O ATOM 1546 CB TYR A 98 6.092 -5.192 5.311 1.00 0.00 C ATOM 1547 CG TYR A 98 7.203 -5.626 4.385 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.454 -6.969 4.153 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.993 -4.688 3.734 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.466 -7.369 3.302 1.00 0.00 C ATOM 1551 CE2 TYR A 98 9.006 -5.076 2.879 1.00 0.00 C ATOM 1552 CZ TYR A 98 9.238 -6.419 2.664 1.00 0.00 C ATOM 1553 OH TYR A 98 10.237 -6.814 1.802 1.00 0.00 O ATOM 0 H TYR A 98 5.052 -3.500 3.465 1.00 0.00 H new ATOM 0 HA TYR A 98 4.385 -6.202 4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.316 -4.194 5.687 1.00 0.00 H new ATOM 0 HB3 TYR A 98 6.069 -5.860 6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.848 -7.715 4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.812 -3.636 3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.652 -8.420 3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.612 -4.333 2.382 1.00 0.00 H new ATOM 0 HH TYR A 98 9.843 -7.285 1.038 1.00 0.00 H new ATOM 1563 N PHE A 99 2.741 -5.243 6.070 1.00 0.00 N ATOM 1564 CA PHE A 99 1.789 -4.721 7.038 1.00 0.00 C ATOM 1565 C PHE A 99 2.044 -5.344 8.403 1.00 0.00 C ATOM 1566 O PHE A 99 1.836 -6.542 8.601 1.00 0.00 O ATOM 1567 CB PHE A 99 0.350 -4.996 6.591 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.080 -4.193 5.397 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.412 -2.854 5.534 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.160 -4.774 4.141 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -0.817 -2.112 4.442 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.564 -4.033 3.045 1.00 0.00 C ATOM 1573 CZ PHE A 99 -0.891 -2.700 3.196 1.00 0.00 C ATOM 0 H PHE A 99 2.586 -6.216 5.806 1.00 0.00 H new ATOM 0 HA PHE A 99 1.923 -3.641 7.107 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.248 -6.056 6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.325 -4.785 7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.353 -2.386 6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.096 -5.816 4.017 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.076 -1.071 4.563 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.624 -4.497 2.072 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.204 -2.119 2.341 1.00 0.00 H new ATOM 1583 N GLN A 100 2.499 -4.522 9.333 1.00 0.00 N ATOM 1584 CA GLN A 100 2.870 -4.986 10.660 1.00 0.00 C ATOM 1585 C GLN A 100 1.862 -4.508 11.696 1.00 0.00 C ATOM 1586 O GLN A 100 1.409 -3.365 11.647 1.00 0.00 O ATOM 1587 CB GLN A 100 4.267 -4.469 11.012 1.00 0.00 C ATOM 1588 CG GLN A 100 4.800 -4.976 12.342 1.00 0.00 C ATOM 1589 CD GLN A 100 6.170 -4.416 12.681 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.975 -5.075 13.336 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.441 -3.194 12.250 1.00 0.00 N ATOM 0 H GLN A 100 2.621 -3.519 9.191 1.00 0.00 H new ATOM 0 HA GLN A 100 2.875 -6.076 10.663 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.959 -4.758 10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.245 -3.379 11.033 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.099 -4.711 13.133 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.854 -6.064 12.315 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.747 -2.678 11.709 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.344 -2.768 12.459 1.00 0.00 H new ATOM 1600 N ASP A 101 1.506 -5.381 12.621 1.00 0.00 N ATOM 1601 CA ASP A 101 0.576 -5.023 13.683 1.00 0.00 C ATOM 1602 C ASP A 101 1.313 -4.900 15.020 1.00 0.00 C ATOM 1603 O ASP A 101 2.458 -5.344 15.152 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.562 -6.053 13.769 1.00 0.00 C ATOM 1605 CG ASP A 101 -0.538 -6.855 15.051 1.00 0.00 C ATOM 1606 OD1 ASP A 101 0.214 -7.842 15.121 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -1.244 -6.475 16.003 1.00 0.00 O ATOM 0 H ASP A 101 1.845 -6.342 12.661 1.00 0.00 H new ATOM 0 HA ASP A 101 0.136 -4.053 13.451 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.519 -5.537 13.688 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.494 -6.733 12.920 1.00 0.00 H new ATOM 1612 N SER A 102 0.650 -4.309 16.009 1.00 0.00 N ATOM 1613 CA SER A 102 1.267 -4.030 17.302 1.00 0.00 C ATOM 1614 C SER A 102 1.523 -5.306 18.110 1.00 0.00 C ATOM 1615 O SER A 102 2.358 -5.316 19.016 1.00 0.00 O ATOM 1616 CB SER A 102 0.390 -3.061 18.095 1.00 0.00 C ATOM 1617 OG SER A 102 0.208 -1.850 17.376 1.00 0.00 O ATOM 0 H SER A 102 -0.323 -4.012 15.938 1.00 0.00 H new ATOM 0 HA SER A 102 2.238 -3.573 17.114 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.578 -3.520 18.297 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.851 -2.852 19.060 1.00 0.00 H new ATOM 0 HG SER A 102 -0.129 -2.050 16.478 1.00 0.00 H new ATOM 1623 N PHE A 103 0.816 -6.381 17.782 1.00 0.00 N ATOM 1624 CA PHE A 103 1.016 -7.655 18.458 1.00 0.00 C ATOM 1625 C PHE A 103 2.241 -8.376 17.897 1.00 0.00 C ATOM 1626 O PHE A 103 2.863 -9.191 18.581 1.00 0.00 O ATOM 1627 CB PHE A 103 -0.233 -8.532 18.325 1.00 0.00 C ATOM 1628 CG PHE A 103 -0.098 -9.885 18.967 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -0.119 -10.017 20.346 1.00 0.00 C ATOM 1630 CD2 PHE A 103 0.052 -11.023 18.190 1.00 0.00 C ATOM 1631 CE1 PHE A 103 0.009 -11.258 20.938 1.00 0.00 C ATOM 1632 CE2 PHE A 103 0.180 -12.268 18.776 1.00 0.00 C ATOM 1633 CZ PHE A 103 0.157 -12.386 20.152 1.00 0.00 C ATOM 0 H PHE A 103 0.101 -6.395 17.054 1.00 0.00 H new ATOM 0 HA PHE A 103 1.190 -7.460 19.516 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -1.080 -8.011 18.772 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.462 -8.664 17.267 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.237 -9.140 20.965 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.069 -10.936 17.114 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -0.006 -11.348 22.014 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.298 -13.147 18.159 1.00 0.00 H new ATOM 0 HZ PHE A 103 0.254 -13.358 20.613 1.00 0.00 H new ATOM 1643 N GLY A 104 2.598 -8.061 16.659 1.00 0.00 N ATOM 1644 CA GLY A 104 3.771 -8.662 16.056 1.00 0.00 C ATOM 1645 C GLY A 104 3.443 -9.502 14.836 1.00 0.00 C ATOM 1646 O GLY A 104 4.288 -10.264 14.355 1.00 0.00 O ATOM 0 H GLY A 104 2.098 -7.402 16.063 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.471 -7.876 15.772 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.274 -9.285 16.795 1.00 0.00 H new ATOM 1650 N GLN A 105 2.222 -9.376 14.341 1.00 0.00 N ATOM 1651 CA GLN A 105 1.819 -10.056 13.123 1.00 0.00 C ATOM 1652 C GLN A 105 2.303 -9.272 11.911 1.00 0.00 C ATOM 1653 O GLN A 105 2.271 -8.040 11.902 1.00 0.00 O ATOM 1654 CB GLN A 105 0.297 -10.223 13.076 1.00 0.00 C ATOM 1655 CG GLN A 105 -0.243 -11.181 14.128 1.00 0.00 C ATOM 1656 CD GLN A 105 0.167 -12.616 13.866 1.00 0.00 C ATOM 1657 OE1 GLN A 105 1.218 -13.071 14.316 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -0.667 -13.342 13.139 1.00 0.00 N ATOM 0 H GLN A 105 1.491 -8.806 14.767 1.00 0.00 H new ATOM 0 HA GLN A 105 2.271 -11.048 13.109 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -0.172 -9.248 13.210 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.009 -10.582 12.088 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.116 -10.877 15.111 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.331 -11.115 14.152 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.529 -12.927 12.784 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.448 -14.317 12.933 1.00 0.00 H new ATOM 1667 N LEU A 106 2.771 -9.985 10.902 1.00 0.00 N ATOM 1668 CA LEU A 106 3.296 -9.350 9.708 1.00 0.00 C ATOM 1669 C LEU A 106 2.664 -9.956 8.465 1.00 0.00 C ATOM 1670 O LEU A 106 2.790 -11.153 8.208 1.00 0.00 O ATOM 1671 CB LEU A 106 4.819 -9.493 9.660 1.00 0.00 C ATOM 1672 CG LEU A 106 5.516 -8.794 8.489 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.209 -7.305 8.483 1.00 0.00 C ATOM 1674 CD2 LEU A 106 7.015 -9.019 8.564 1.00 0.00 C ATOM 0 H LEU A 106 2.798 -11.005 10.886 1.00 0.00 H new ATOM 0 HA LEU A 106 3.048 -8.289 9.737 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.232 -9.102 10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.065 -10.554 9.624 1.00 0.00 H new ATOM 0 HG LEU A 106 5.137 -9.223 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.716 -6.832 7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 106 4.133 -7.156 8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.557 -6.858 9.414 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.501 -8.518 7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.397 -8.614 9.501 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.225 -10.088 8.518 1.00 0.00 H new ATOM 1686 N GLN A 107 1.980 -9.121 7.708 1.00 0.00 N ATOM 1687 CA GLN A 107 1.323 -9.549 6.485 1.00 0.00 C ATOM 1688 C GLN A 107 2.050 -8.959 5.286 1.00 0.00 C ATOM 1689 O GLN A 107 2.017 -7.749 5.059 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.144 -9.110 6.502 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.919 -9.458 5.240 1.00 0.00 C ATOM 1692 CD GLN A 107 -2.347 -8.950 5.291 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -3.253 -9.529 4.689 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -2.561 -7.862 6.015 1.00 0.00 N ATOM 0 H GLN A 107 1.863 -8.130 7.921 1.00 0.00 H new ATOM 0 HA GLN A 107 1.354 -10.636 6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.639 -9.572 7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.186 -8.031 6.654 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -0.413 -9.030 4.374 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.924 -10.540 5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.785 -7.411 6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.502 -7.475 6.089 1.00 0.00 H new ATOM 1703 N GLN A 108 2.727 -9.814 4.540 1.00 0.00 N ATOM 1704 CA GLN A 108 3.518 -9.373 3.404 1.00 0.00 C ATOM 1705 C GLN A 108 2.721 -9.496 2.111 1.00 0.00 C ATOM 1706 O GLN A 108 2.200 -10.567 1.786 1.00 0.00 O ATOM 1707 CB GLN A 108 4.808 -10.189 3.308 1.00 0.00 C ATOM 1708 CG GLN A 108 5.827 -9.600 2.348 1.00 0.00 C ATOM 1709 CD GLN A 108 7.079 -10.443 2.228 1.00 0.00 C ATOM 1710 OE1 GLN A 108 7.462 -11.159 3.157 1.00 0.00 O ATOM 1711 NE2 GLN A 108 7.738 -10.343 1.088 1.00 0.00 N ATOM 0 H GLN A 108 2.745 -10.821 4.701 1.00 0.00 H new ATOM 0 HA GLN A 108 3.774 -8.324 3.552 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.255 -10.265 4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 108 4.565 -11.203 2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.372 -9.493 1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 108 6.099 -8.600 2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.385 -9.739 0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.600 -10.870 0.949 1.00 0.00 H new ATOM 1720 N LEU A 109 2.622 -8.392 1.386 1.00 0.00 N ATOM 1721 CA LEU A 109 1.924 -8.366 0.111 1.00 0.00 C ATOM 1722 C LEU A 109 2.835 -7.806 -0.970 1.00 0.00 C ATOM 1723 O LEU A 109 3.148 -6.619 -0.978 1.00 0.00 O ATOM 1724 CB LEU A 109 0.651 -7.518 0.211 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.435 -8.066 1.141 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.565 -7.059 1.290 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -0.980 -9.385 0.612 1.00 0.00 C ATOM 0 H LEU A 109 3.021 -7.495 1.663 1.00 0.00 H new ATOM 0 HA LEU A 109 1.643 -9.386 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.926 -6.520 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.228 -7.409 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 109 0.012 -8.241 2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.328 -7.464 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.174 -6.132 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.004 -6.858 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.750 -9.757 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.409 -9.231 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.171 -10.113 0.547 1.00 0.00 H new ATOM 1739 N THR A 110 3.265 -8.668 -1.875 1.00 0.00 N ATOM 1740 CA THR A 110 4.136 -8.256 -2.963 1.00 0.00 C ATOM 1741 C THR A 110 3.314 -7.892 -4.195 1.00 0.00 C ATOM 1742 O THR A 110 2.568 -8.719 -4.723 1.00 0.00 O ATOM 1743 CB THR A 110 5.133 -9.375 -3.317 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.772 -9.843 -2.122 1.00 0.00 O ATOM 1745 CG2 THR A 110 6.187 -8.872 -4.291 1.00 0.00 C ATOM 0 H THR A 110 3.025 -9.659 -1.878 1.00 0.00 H new ATOM 0 HA THR A 110 4.694 -7.379 -2.634 1.00 0.00 H new ATOM 0 HB THR A 110 4.585 -10.190 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.296 -9.116 -1.725 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.880 -9.680 -4.526 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.703 -8.531 -5.206 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.734 -8.045 -3.840 1.00 0.00 H new ATOM 1753 N PHE A 111 3.430 -6.650 -4.635 1.00 0.00 N ATOM 1754 CA PHE A 111 2.682 -6.183 -5.790 1.00 0.00 C ATOM 1755 C PHE A 111 3.600 -5.969 -6.985 1.00 0.00 C ATOM 1756 O PHE A 111 4.531 -5.164 -6.932 1.00 0.00 O ATOM 1757 CB PHE A 111 1.951 -4.878 -5.465 1.00 0.00 C ATOM 1758 CG PHE A 111 0.930 -5.009 -4.371 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.331 -5.514 -4.638 1.00 0.00 C ATOM 1760 CD2 PHE A 111 1.232 -4.621 -3.076 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.272 -5.633 -3.634 1.00 0.00 C ATOM 1762 CE2 PHE A 111 0.296 -4.738 -2.067 1.00 0.00 C ATOM 1763 CZ PHE A 111 -0.958 -5.245 -2.347 1.00 0.00 C ATOM 0 H PHE A 111 4.035 -5.947 -4.210 1.00 0.00 H new ATOM 0 HA PHE A 111 1.951 -6.950 -6.044 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.684 -4.125 -5.176 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.458 -4.515 -6.367 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.582 -5.819 -5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.211 -4.222 -2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.252 -6.029 -3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.544 -4.434 -1.061 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.692 -5.338 -1.560 1.00 0.00 H new ATOM 1773 N SER A 112 3.340 -6.701 -8.054 1.00 0.00 N ATOM 1774 CA SER A 112 4.037 -6.492 -9.307 1.00 0.00 C ATOM 1775 C SER A 112 3.065 -5.941 -10.344 1.00 0.00 C ATOM 1776 O SER A 112 2.166 -6.643 -10.811 1.00 0.00 O ATOM 1777 CB SER A 112 4.676 -7.801 -9.781 1.00 0.00 C ATOM 1778 OG SER A 112 3.792 -8.900 -9.606 1.00 0.00 O ATOM 0 H SER A 112 2.647 -7.449 -8.077 1.00 0.00 H new ATOM 0 HA SER A 112 4.837 -5.765 -9.165 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.949 -7.715 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.597 -7.980 -9.226 1.00 0.00 H new ATOM 0 HG SER A 112 2.899 -8.656 -9.928 1.00 0.00 H new ATOM 1784 N PHE A 113 3.232 -4.671 -10.676 1.00 0.00 N ATOM 1785 CA PHE A 113 2.316 -3.993 -11.582 1.00 0.00 C ATOM 1786 C PHE A 113 2.646 -4.286 -13.042 1.00 0.00 C ATOM 1787 O PHE A 113 3.658 -4.923 -13.346 1.00 0.00 O ATOM 1788 CB PHE A 113 2.343 -2.483 -11.333 1.00 0.00 C ATOM 1789 CG PHE A 113 1.817 -2.079 -9.981 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.461 -1.866 -9.787 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.677 -1.910 -8.907 1.00 0.00 C ATOM 1792 CE1 PHE A 113 -0.026 -1.493 -8.549 1.00 0.00 C ATOM 1793 CE2 PHE A 113 2.195 -1.536 -7.667 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.842 -1.327 -7.488 1.00 0.00 C ATOM 0 H PHE A 113 3.994 -4.087 -10.332 1.00 0.00 H new ATOM 0 HA PHE A 113 1.315 -4.374 -11.382 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.368 -2.126 -11.435 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.754 -1.987 -12.104 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.223 -1.993 -10.613 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.736 -2.073 -9.041 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.085 -1.331 -8.411 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.876 -1.407 -6.839 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.463 -1.034 -6.520 1.00 0.00 H new ATOM 1804 N ASN A 114 1.766 -3.812 -13.926 1.00 0.00 N ATOM 1805 CA ASN A 114 1.922 -3.939 -15.380 1.00 0.00 C ATOM 1806 C ASN A 114 1.607 -5.351 -15.867 1.00 0.00 C ATOM 1807 O ASN A 114 0.536 -5.596 -16.418 1.00 0.00 O ATOM 1808 CB ASN A 114 3.325 -3.512 -15.834 1.00 0.00 C ATOM 1809 CG ASN A 114 3.524 -3.622 -17.337 1.00 0.00 C ATOM 1810 OD1 ASN A 114 3.906 -4.670 -17.851 1.00 0.00 O ATOM 1811 ND2 ASN A 114 3.299 -2.529 -18.052 1.00 0.00 N ATOM 0 H ASN A 114 0.914 -3.323 -13.651 1.00 0.00 H new ATOM 0 HA ASN A 114 1.197 -3.263 -15.833 1.00 0.00 H new ATOM 0 HB2 ASN A 114 3.503 -2.482 -15.524 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.068 -4.130 -15.329 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.443 -2.542 -19.062 1.00 0.00 H new ATOM 0 HD22 ASN A 114 2.982 -1.675 -17.593 1.00 0.00 H new ATOM 1818 N ASN A 115 2.517 -6.286 -15.651 1.00 0.00 N ATOM 1819 CA ASN A 115 2.357 -7.615 -16.217 1.00 0.00 C ATOM 1820 C ASN A 115 2.696 -8.690 -15.194 1.00 0.00 C ATOM 1821 O ASN A 115 2.804 -8.413 -13.997 1.00 0.00 O ATOM 1822 CB ASN A 115 3.246 -7.771 -17.455 1.00 0.00 C ATOM 1823 CG ASN A 115 2.560 -8.507 -18.600 1.00 0.00 C ATOM 1824 OD1 ASN A 115 2.891 -8.294 -19.768 1.00 0.00 O ATOM 1825 ND2 ASN A 115 1.594 -9.361 -18.288 1.00 0.00 N ATOM 0 H ASN A 115 3.363 -6.153 -15.096 1.00 0.00 H new ATOM 0 HA ASN A 115 1.313 -7.737 -16.507 1.00 0.00 H new ATOM 0 HB2 ASN A 115 3.554 -6.784 -17.799 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.152 -8.309 -17.178 1.00 0.00 H new ATOM 0 HD21 ASN A 115 1.101 -9.864 -19.025 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.345 -9.514 -17.311 1.00 0.00 H new ATOM 1832 N ASP A 116 2.871 -9.912 -15.672 1.00 0.00 N ATOM 1833 CA ASP A 116 3.088 -11.052 -14.803 1.00 0.00 C ATOM 1834 C ASP A 116 4.500 -11.586 -14.980 1.00 0.00 C ATOM 1835 O ASP A 116 4.790 -12.274 -15.957 1.00 0.00 O ATOM 1836 CB ASP A 116 2.084 -12.168 -15.117 1.00 0.00 C ATOM 1837 CG ASP A 116 0.637 -11.715 -15.044 1.00 0.00 C ATOM 1838 OD1 ASP A 116 0.142 -11.124 -16.032 1.00 0.00 O ATOM 1839 OD2 ASP A 116 -0.018 -11.962 -14.010 1.00 0.00 O ATOM 0 H ASP A 116 2.866 -10.138 -16.667 1.00 0.00 H new ATOM 0 HA ASP A 116 2.949 -10.724 -13.773 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.285 -12.557 -16.115 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.235 -12.990 -14.418 1.00 0.00 H new ATOM 1844 N SER A 117 5.377 -11.262 -14.048 1.00 0.00 N ATOM 1845 CA SER A 117 6.738 -11.762 -14.085 1.00 0.00 C ATOM 1846 C SER A 117 6.797 -13.119 -13.394 1.00 0.00 C ATOM 1847 O SER A 117 7.219 -13.235 -12.244 1.00 0.00 O ATOM 1848 CB SER A 117 7.687 -10.754 -13.435 1.00 0.00 C ATOM 1849 OG SER A 117 7.090 -10.169 -12.288 1.00 0.00 O ATOM 0 H SER A 117 5.171 -10.654 -13.255 1.00 0.00 H new ATOM 0 HA SER A 117 7.057 -11.892 -15.119 1.00 0.00 H new ATOM 0 HB2 SER A 117 8.616 -11.251 -13.154 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.946 -9.976 -14.153 1.00 0.00 H new ATOM 0 HG SER A 117 7.713 -9.528 -11.886 1.00 0.00 H new ATOM 1855 N SER A 118 6.349 -14.141 -14.106 1.00 0.00 N ATOM 1856 CA SER A 118 6.153 -15.461 -13.531 1.00 0.00 C ATOM 1857 C SER A 118 7.428 -16.301 -13.568 1.00 0.00 C ATOM 1858 O SER A 118 7.370 -17.529 -13.641 1.00 0.00 O ATOM 1859 CB SER A 118 5.026 -16.165 -14.283 1.00 0.00 C ATOM 1860 OG SER A 118 3.857 -15.356 -14.303 1.00 0.00 O ATOM 0 H SER A 118 6.112 -14.079 -15.096 1.00 0.00 H new ATOM 0 HA SER A 118 5.886 -15.343 -12.481 1.00 0.00 H new ATOM 0 HB2 SER A 118 5.342 -16.382 -15.303 1.00 0.00 H new ATOM 0 HB3 SER A 118 4.806 -17.121 -13.807 1.00 0.00 H new ATOM 0 HG SER A 118 3.145 -15.821 -14.790 1.00 0.00 H new ATOM 1866 N LYS A 119 8.577 -15.646 -13.489 1.00 0.00 N ATOM 1867 CA LYS A 119 9.843 -16.353 -13.481 1.00 0.00 C ATOM 1868 C LYS A 119 10.875 -15.620 -12.635 1.00 0.00 C ATOM 1869 O LYS A 119 11.012 -14.400 -12.716 1.00 0.00 O ATOM 1870 CB LYS A 119 10.365 -16.541 -14.906 1.00 0.00 C ATOM 1871 CG LYS A 119 11.610 -17.407 -14.970 1.00 0.00 C ATOM 1872 CD LYS A 119 11.985 -17.760 -16.397 1.00 0.00 C ATOM 1873 CE LYS A 119 13.116 -18.772 -16.430 1.00 0.00 C ATOM 1874 NZ LYS A 119 12.770 -20.012 -15.681 1.00 0.00 N ATOM 0 H LYS A 119 8.656 -14.631 -13.430 1.00 0.00 H new ATOM 0 HA LYS A 119 9.673 -17.334 -13.038 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.583 -16.992 -15.517 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.585 -15.565 -15.339 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.440 -16.883 -14.496 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.444 -18.322 -14.402 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.116 -18.164 -16.915 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.284 -16.858 -16.932 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.348 -19.025 -17.465 1.00 0.00 H new ATOM 0 HE3 LYS A 119 14.014 -18.327 -16.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.375 -20.793 -16.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.920 -19.857 -14.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.773 -20.253 -15.851 1.00 0.00 H new ATOM 1888 N GLU A 120 11.586 -16.377 -11.818 1.00 0.00 N ATOM 1889 CA GLU A 120 12.640 -15.836 -10.978 1.00 0.00 C ATOM 1890 C GLU A 120 13.992 -16.419 -11.377 1.00 0.00 C ATOM 1891 O GLU A 120 14.079 -17.210 -12.319 1.00 0.00 O ATOM 1892 CB GLU A 120 12.359 -16.151 -9.504 1.00 0.00 C ATOM 1893 CG GLU A 120 11.165 -15.406 -8.933 1.00 0.00 C ATOM 1894 CD GLU A 120 11.352 -13.908 -9.000 1.00 0.00 C ATOM 1895 OE1 GLU A 120 12.501 -13.444 -8.826 1.00 0.00 O ATOM 1896 OE2 GLU A 120 10.362 -13.186 -9.245 1.00 0.00 O ATOM 0 H GLU A 120 11.449 -17.383 -11.718 1.00 0.00 H new ATOM 0 HA GLU A 120 12.666 -14.755 -11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.191 -17.223 -9.397 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.243 -15.906 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.266 -15.685 -9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.011 -15.707 -7.897 1.00 0.00 H new ATOM 1903 N GLU A 121 15.034 -16.000 -10.658 1.00 0.00 N ATOM 1904 CA GLU A 121 16.385 -16.555 -10.796 1.00 0.00 C ATOM 1905 C GLU A 121 17.027 -16.197 -12.141 1.00 0.00 C ATOM 1906 O GLU A 121 17.880 -15.312 -12.218 1.00 0.00 O ATOM 1907 CB GLU A 121 16.357 -18.077 -10.606 1.00 0.00 C ATOM 1908 CG GLU A 121 17.694 -18.668 -10.198 1.00 0.00 C ATOM 1909 CD GLU A 121 18.187 -18.093 -8.891 1.00 0.00 C ATOM 1910 OE1 GLU A 121 17.489 -18.251 -7.866 1.00 0.00 O ATOM 1911 OE2 GLU A 121 19.270 -17.472 -8.878 1.00 0.00 O ATOM 0 H GLU A 121 14.966 -15.261 -9.958 1.00 0.00 H new ATOM 0 HA GLU A 121 17.000 -16.106 -10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 121 15.614 -18.326 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 121 16.032 -18.544 -11.536 1.00 0.00 H new ATOM 0 HG2 GLU A 121 17.600 -19.750 -10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.429 -18.477 -10.979 1.00 0.00 H new ATOM 1918 N GLU A 122 16.607 -16.880 -13.198 1.00 0.00 N ATOM 1919 CA GLU A 122 17.208 -16.703 -14.513 1.00 0.00 C ATOM 1920 C GLU A 122 16.587 -15.527 -15.258 1.00 0.00 C ATOM 1921 O GLU A 122 17.023 -15.176 -16.353 1.00 0.00 O ATOM 1922 CB GLU A 122 17.086 -17.988 -15.328 1.00 0.00 C ATOM 1923 CG GLU A 122 17.929 -19.126 -14.775 1.00 0.00 C ATOM 1924 CD GLU A 122 17.709 -20.427 -15.508 1.00 0.00 C ATOM 1925 OE1 GLU A 122 18.321 -20.628 -16.577 1.00 0.00 O ATOM 1926 OE2 GLU A 122 16.931 -21.263 -15.014 1.00 0.00 O ATOM 0 H GLU A 122 15.850 -17.563 -13.170 1.00 0.00 H new ATOM 0 HA GLU A 122 18.265 -16.478 -14.372 1.00 0.00 H new ATOM 0 HB2 GLU A 122 16.041 -18.297 -15.354 1.00 0.00 H new ATOM 0 HB3 GLU A 122 17.385 -17.789 -16.357 1.00 0.00 H new ATOM 0 HG2 GLU A 122 18.983 -18.854 -14.835 1.00 0.00 H new ATOM 0 HG3 GLU A 122 17.696 -19.265 -13.719 1.00 0.00 H new ATOM 1933 N LEU A 123 15.565 -14.928 -14.669 1.00 0.00 N ATOM 1934 CA LEU A 123 15.021 -13.679 -15.184 1.00 0.00 C ATOM 1935 C LEU A 123 15.796 -12.533 -14.542 1.00 0.00 C ATOM 1936 O LEU A 123 16.463 -12.748 -13.529 1.00 0.00 O ATOM 1937 CB LEU A 123 13.524 -13.567 -14.871 1.00 0.00 C ATOM 1938 CG LEU A 123 12.780 -12.467 -15.635 1.00 0.00 C ATOM 1939 CD1 LEU A 123 12.779 -12.769 -17.127 1.00 0.00 C ATOM 1940 CD2 LEU A 123 11.356 -12.324 -15.120 1.00 0.00 C ATOM 0 H LEU A 123 15.095 -15.284 -13.836 1.00 0.00 H new ATOM 0 HA LEU A 123 15.126 -13.642 -16.268 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.050 -14.524 -15.090 1.00 0.00 H new ATOM 0 HB3 LEU A 123 13.405 -13.390 -13.802 1.00 0.00 H new ATOM 0 HG LEU A 123 13.298 -11.522 -15.471 1.00 0.00 H new ATOM 0 HD11 LEU A 123 12.247 -11.979 -17.658 1.00 0.00 H new ATOM 0 HD12 LEU A 123 13.806 -12.821 -17.488 1.00 0.00 H new ATOM 0 HD13 LEU A 123 12.283 -13.723 -17.305 1.00 0.00 H new ATOM 0 HD21 LEU A 123 10.845 -11.538 -15.676 1.00 0.00 H new ATOM 0 HD22 LEU A 123 10.825 -13.266 -15.253 1.00 0.00 H new ATOM 0 HD23 LEU A 123 11.376 -12.065 -14.061 1.00 0.00 H new ATOM 1952 N GLU A 124 15.721 -11.333 -15.107 1.00 0.00 N ATOM 1953 CA GLU A 124 16.529 -10.224 -14.605 1.00 0.00 C ATOM 1954 C GLU A 124 16.003 -9.736 -13.257 1.00 0.00 C ATOM 1955 O GLU A 124 15.185 -8.819 -13.183 1.00 0.00 O ATOM 1956 CB GLU A 124 16.574 -9.066 -15.607 1.00 0.00 C ATOM 1957 CG GLU A 124 17.866 -8.250 -15.562 1.00 0.00 C ATOM 1958 CD GLU A 124 18.137 -7.606 -14.213 1.00 0.00 C ATOM 1959 OE1 GLU A 124 18.717 -8.277 -13.337 1.00 0.00 O ATOM 1960 OE2 GLU A 124 17.790 -6.417 -14.029 1.00 0.00 O ATOM 0 H GLU A 124 15.121 -11.104 -15.899 1.00 0.00 H new ATOM 0 HA GLU A 124 17.545 -10.594 -14.470 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.444 -9.465 -16.613 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.731 -8.402 -15.416 1.00 0.00 H new ATOM 0 HG2 GLU A 124 18.704 -8.898 -15.820 1.00 0.00 H new ATOM 0 HG3 GLU A 124 17.820 -7.471 -16.323 1.00 0.00 H new ATOM 1967 N HIS A 125 16.452 -10.398 -12.206 1.00 0.00 N ATOM 1968 CA HIS A 125 16.207 -9.973 -10.841 1.00 0.00 C ATOM 1969 C HIS A 125 17.520 -10.024 -10.086 1.00 0.00 C ATOM 1970 O HIS A 125 18.347 -10.897 -10.337 1.00 0.00 O ATOM 1971 CB HIS A 125 15.152 -10.845 -10.149 1.00 0.00 C ATOM 1972 CG HIS A 125 13.739 -10.438 -10.454 1.00 0.00 C ATOM 1973 ND1 HIS A 125 12.654 -11.242 -10.199 1.00 0.00 N ATOM 1974 CD2 HIS A 125 13.235 -9.294 -10.977 1.00 0.00 C ATOM 1975 CE1 HIS A 125 11.550 -10.616 -10.554 1.00 0.00 C ATOM 1976 NE2 HIS A 125 11.870 -9.430 -11.026 1.00 0.00 N ATOM 0 H HIS A 125 17.002 -11.254 -12.277 1.00 0.00 H new ATOM 0 HA HIS A 125 15.813 -8.957 -10.850 1.00 0.00 H new ATOM 0 HB2 HIS A 125 15.295 -11.882 -10.451 1.00 0.00 H new ATOM 0 HB3 HIS A 125 15.308 -10.803 -9.071 1.00 0.00 H new ATOM 0 HD1 HIS A 125 12.697 -12.179 -9.797 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.803 -8.433 -11.297 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.548 -11.011 -10.471 1.00 0.00 H new ATOM 1985 N HIS A 126 17.703 -9.113 -9.153 1.00 0.00 N ATOM 1986 CA HIS A 126 19.010 -8.907 -8.552 1.00 0.00 C ATOM 1987 C HIS A 126 19.156 -9.708 -7.266 1.00 0.00 C ATOM 1988 O HIS A 126 19.828 -9.294 -6.319 1.00 0.00 O ATOM 1989 CB HIS A 126 19.250 -7.413 -8.334 1.00 0.00 C ATOM 1990 CG HIS A 126 19.318 -6.661 -9.631 1.00 0.00 C ATOM 1991 ND1 HIS A 126 20.495 -6.227 -10.192 1.00 0.00 N ATOM 1992 CD2 HIS A 126 18.342 -6.317 -10.507 1.00 0.00 C ATOM 1993 CE1 HIS A 126 20.242 -5.656 -11.355 1.00 0.00 C ATOM 1994 NE2 HIS A 126 18.941 -5.698 -11.576 1.00 0.00 N ATOM 0 H HIS A 126 16.968 -8.504 -8.793 1.00 0.00 H new ATOM 0 HA HIS A 126 19.777 -9.274 -9.233 1.00 0.00 H new ATOM 0 HB2 HIS A 126 18.449 -7.003 -7.718 1.00 0.00 H new ATOM 0 HB3 HIS A 126 20.180 -7.271 -7.783 1.00 0.00 H new ATOM 0 HD2 HIS A 126 17.284 -6.497 -10.386 1.00 0.00 H new ATOM 0 HE1 HIS A 126 20.978 -5.225 -12.017 1.00 0.00 H new ATOM 0 HE2 HIS A 126 18.463 -5.333 -12.400 1.00 0.00 H new ATOM 2003 N HIS A 127 18.527 -10.873 -7.263 1.00 0.00 N ATOM 2004 CA HIS A 127 18.690 -11.845 -6.199 1.00 0.00 C ATOM 2005 C HIS A 127 19.769 -12.832 -6.625 1.00 0.00 C ATOM 2006 O HIS A 127 19.736 -13.342 -7.745 1.00 0.00 O ATOM 2007 CB HIS A 127 17.362 -12.571 -5.939 1.00 0.00 C ATOM 2008 CG HIS A 127 17.345 -13.418 -4.701 1.00 0.00 C ATOM 2009 ND1 HIS A 127 17.608 -14.770 -4.705 1.00 0.00 N ATOM 2010 CD2 HIS A 127 17.058 -13.099 -3.416 1.00 0.00 C ATOM 2011 CE1 HIS A 127 17.486 -15.244 -3.480 1.00 0.00 C ATOM 2012 NE2 HIS A 127 17.151 -14.253 -2.676 1.00 0.00 N ATOM 0 H HIS A 127 17.888 -11.169 -8.001 1.00 0.00 H new ATOM 0 HA HIS A 127 18.985 -11.351 -5.273 1.00 0.00 H new ATOM 0 HB2 HIS A 127 16.566 -11.830 -5.867 1.00 0.00 H new ATOM 0 HB3 HIS A 127 17.134 -13.202 -6.798 1.00 0.00 H new ATOM 0 HD2 HIS A 127 16.803 -12.118 -3.042 1.00 0.00 H new ATOM 0 HE1 HIS A 127 17.635 -16.272 -3.184 1.00 0.00 H new ATOM 0 HE2 HIS A 127 16.988 -14.331 -1.672 1.00 0.00 H new ATOM 2021 N HIS A 128 20.718 -13.103 -5.747 1.00 0.00 N ATOM 2022 CA HIS A 128 21.876 -13.918 -6.104 1.00 0.00 C ATOM 2023 C HIS A 128 22.047 -15.071 -5.117 1.00 0.00 C ATOM 2024 O HIS A 128 23.162 -15.392 -4.709 1.00 0.00 O ATOM 2025 CB HIS A 128 23.145 -13.048 -6.146 1.00 0.00 C ATOM 2026 CG HIS A 128 23.526 -12.434 -4.831 1.00 0.00 C ATOM 2027 ND1 HIS A 128 24.575 -12.897 -4.067 1.00 0.00 N ATOM 2028 CD2 HIS A 128 22.995 -11.396 -4.142 1.00 0.00 C ATOM 2029 CE1 HIS A 128 24.669 -12.177 -2.966 1.00 0.00 C ATOM 2030 NE2 HIS A 128 23.723 -11.260 -2.988 1.00 0.00 N ATOM 0 H HIS A 128 20.714 -12.773 -4.782 1.00 0.00 H new ATOM 0 HA HIS A 128 21.711 -14.341 -7.095 1.00 0.00 H new ATOM 0 HB2 HIS A 128 23.976 -13.658 -6.502 1.00 0.00 H new ATOM 0 HB3 HIS A 128 22.999 -12.251 -6.875 1.00 0.00 H new ATOM 0 HD2 HIS A 128 22.155 -10.789 -4.445 1.00 0.00 H new ATOM 0 HE1 HIS A 128 25.397 -12.315 -2.180 1.00 0.00 H new ATOM 0 HE2 HIS A 128 23.559 -10.561 -2.263 1.00 0.00 H new ATOM 2039 N HIS A 129 20.932 -15.715 -4.786 1.00 0.00 N ATOM 2040 CA HIS A 129 20.893 -16.763 -3.762 1.00 0.00 C ATOM 2041 C HIS A 129 21.228 -16.175 -2.393 1.00 0.00 C ATOM 2042 O HIS A 129 20.336 -15.730 -1.671 1.00 0.00 O ATOM 2043 CB HIS A 129 21.845 -17.924 -4.101 1.00 0.00 C ATOM 2044 CG HIS A 129 21.522 -18.624 -5.388 1.00 0.00 C ATOM 2045 ND1 HIS A 129 22.337 -18.575 -6.503 1.00 0.00 N ATOM 2046 CD2 HIS A 129 20.468 -19.399 -5.732 1.00 0.00 C ATOM 2047 CE1 HIS A 129 21.794 -19.288 -7.471 1.00 0.00 C ATOM 2048 NE2 HIS A 129 20.662 -19.797 -7.029 1.00 0.00 N ATOM 0 H HIS A 129 20.027 -15.528 -5.218 1.00 0.00 H new ATOM 0 HA HIS A 129 19.881 -17.168 -3.736 1.00 0.00 H new ATOM 0 HB2 HIS A 129 22.864 -17.541 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 129 21.819 -18.650 -3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 129 19.630 -19.656 -5.102 1.00 0.00 H new ATOM 0 HE1 HIS A 129 22.207 -19.430 -8.459 1.00 0.00 H new ATOM 0 HE2 HIS A 129 20.031 -20.392 -7.566 1.00 0.00 H new ATOM 2057 N HIS A 130 22.514 -16.152 -2.060 1.00 0.00 N ATOM 2058 CA HIS A 130 22.997 -15.539 -0.828 1.00 0.00 C ATOM 2059 C HIS A 130 24.506 -15.690 -0.753 1.00 0.00 C ATOM 2060 O HIS A 130 25.018 -16.713 -1.258 1.00 0.00 O ATOM 2061 CB HIS A 130 22.342 -16.143 0.430 1.00 0.00 C ATOM 2062 CG HIS A 130 22.705 -17.572 0.708 1.00 0.00 C ATOM 2063 ND1 HIS A 130 23.834 -17.935 1.409 1.00 0.00 N ATOM 2064 CD2 HIS A 130 22.073 -18.727 0.393 1.00 0.00 C ATOM 2065 CE1 HIS A 130 23.883 -19.248 1.514 1.00 0.00 C ATOM 2066 NE2 HIS A 130 22.826 -19.751 0.908 1.00 0.00 N ATOM 2067 OXT HIS A 130 25.170 -14.801 -0.184 1.00 0.00 O ATOM 0 H HIS A 130 23.251 -16.558 -2.637 1.00 0.00 H new ATOM 0 HA HIS A 130 22.722 -14.485 -0.852 1.00 0.00 H new ATOM 0 HB2 HIS A 130 22.621 -15.538 1.293 1.00 0.00 H new ATOM 0 HB3 HIS A 130 21.259 -16.072 0.328 1.00 0.00 H new ATOM 0 HD2 HIS A 130 21.150 -18.824 -0.160 1.00 0.00 H new ATOM 0 HE1 HIS A 130 24.656 -19.814 2.011 1.00 0.00 H new ATOM 0 HE2 HIS A 130 22.604 -20.744 0.834 1.00 0.00 H new TER 2076 HIS A 130