USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 918 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 94 THR OG1 : rot -39:sc= 0.253 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.685 USER MOD Set 2.1: A 88 HIS : no HD1:sc= -0.394 X(o=-2.7,f=-2.6) USER MOD Set 2.2: A 91 GLN : amide:sc= -2.31 K(o=-2.7,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00454 (180deg=-0.117) USER MOD Single : A 2 TYR OH : rot -59:sc= 1.22 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 32:sc= 0.142 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 17 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.4) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0269 X(o=-0.027,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 81:sc= 0.332 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.279 K(o=-0.28,f=-8!) USER MOD Single : A 30 THR OG1 : rot 180:sc=0.000731 USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.19) USER MOD Single : A 37 ASN : amide:sc= 0.826 K(o=0.83,f=-3.1!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 168:sc= -1.85! (180deg=-2.06) USER MOD Single : A 40 THR OG1 : rot -112:sc= 0.894 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -65:sc= 0.0908 USER MOD Single : A 59 ASN : amide:sc= -3.03! K(o=-3!,f=-0.016) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.232 K(o=-0.23,f=-1.9) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.03 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= 1.54 (180deg=0.989) USER MOD Single : A 90 ASN : amide:sc= -3.53 K(o=-3.5,f=-0.26) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.98 K(o=-0.98,f=-4.4!) USER MOD Single : A 102 THR OG1 : rot -74:sc= 0.636 USER MOD Single : A 104 CYS SG : rot -150:sc= -1.96 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0553 USER MOD Single : A 112 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0762) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.486 -18.941 13.137 1.00 0.00 N ATOM 2 CA MET A 1 -9.289 -19.068 11.684 1.00 0.00 C ATOM 3 C MET A 1 -10.650 -19.041 11.010 1.00 0.00 C ATOM 4 O MET A 1 -11.441 -19.964 11.209 1.00 0.00 O ATOM 5 CB MET A 1 -8.576 -20.376 11.311 1.00 0.00 C ATOM 6 CG MET A 1 -7.146 -20.513 11.837 1.00 0.00 C ATOM 7 SD MET A 1 -6.553 -22.222 11.680 1.00 0.00 S ATOM 8 CE MET A 1 -5.022 -21.976 10.750 1.00 0.00 C ATOM 0 H1 MET A 1 -8.569 -18.771 13.598 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.125 -18.144 13.332 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.903 -19.818 13.509 1.00 0.00 H new ATOM 0 HA MET A 1 -8.663 -18.240 11.351 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.166 -21.212 11.687 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.556 -20.463 10.225 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.486 -19.844 11.285 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.109 -20.206 12.882 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.543 -22.940 10.576 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.249 -21.506 9.793 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.350 -21.334 11.319 1.00 0.00 H new ATOM 18 N TYR A 2 -10.962 -18.010 10.226 1.00 0.00 N ATOM 19 CA TYR A 2 -12.147 -18.014 9.388 1.00 0.00 C ATOM 20 C TYR A 2 -11.933 -17.096 8.187 1.00 0.00 C ATOM 21 O TYR A 2 -11.379 -15.999 8.320 1.00 0.00 O ATOM 22 CB TYR A 2 -13.374 -17.568 10.209 1.00 0.00 C ATOM 23 CG TYR A 2 -14.577 -18.495 10.174 1.00 0.00 C ATOM 24 CD1 TYR A 2 -14.947 -19.184 9.003 1.00 0.00 C ATOM 25 CD2 TYR A 2 -15.386 -18.607 11.319 1.00 0.00 C ATOM 26 CE1 TYR A 2 -16.140 -19.925 8.954 1.00 0.00 C ATOM 27 CE2 TYR A 2 -16.591 -19.325 11.278 1.00 0.00 C ATOM 28 CZ TYR A 2 -16.984 -19.958 10.082 1.00 0.00 C ATOM 29 OH TYR A 2 -18.213 -20.524 9.992 1.00 0.00 O ATOM 0 H TYR A 2 -10.403 -17.159 10.158 1.00 0.00 H new ATOM 0 HA TYR A 2 -12.329 -19.025 9.022 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -13.066 -17.446 11.247 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -13.687 -16.587 9.852 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -14.307 -19.143 8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -15.076 -18.135 12.240 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -16.408 -20.465 8.058 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -17.214 -19.392 12.158 1.00 0.00 H new ATOM 0 HH TYR A 2 -18.738 -20.058 9.308 1.00 0.00 H new ATOM 39 N THR A 3 -12.449 -17.521 7.035 1.00 0.00 N ATOM 40 CA THR A 3 -12.526 -16.779 5.779 1.00 0.00 C ATOM 41 C THR A 3 -14.020 -16.662 5.392 1.00 0.00 C ATOM 42 O THR A 3 -14.425 -16.777 4.232 1.00 0.00 O ATOM 43 CB THR A 3 -11.646 -17.521 4.755 1.00 0.00 C ATOM 44 OG1 THR A 3 -10.392 -17.878 5.322 1.00 0.00 O ATOM 45 CG2 THR A 3 -11.336 -16.719 3.490 1.00 0.00 C ATOM 0 H THR A 3 -12.851 -18.455 6.949 1.00 0.00 H new ATOM 0 HA THR A 3 -12.145 -15.760 5.840 1.00 0.00 H new ATOM 0 HB THR A 3 -12.239 -18.393 4.482 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.853 -18.349 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.712 -17.316 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.267 -16.464 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.808 -15.804 3.759 1.00 0.00 H new ATOM 53 N GLU A 4 -14.871 -16.569 6.413 1.00 0.00 N ATOM 54 CA GLU A 4 -16.289 -16.224 6.368 1.00 0.00 C ATOM 55 C GLU A 4 -16.370 -14.729 6.051 1.00 0.00 C ATOM 56 O GLU A 4 -15.939 -13.931 6.884 1.00 0.00 O ATOM 57 CB GLU A 4 -16.903 -16.543 7.745 1.00 0.00 C ATOM 58 CG GLU A 4 -18.425 -16.389 7.848 1.00 0.00 C ATOM 59 CD GLU A 4 -19.133 -17.733 7.638 1.00 0.00 C ATOM 60 OE1 GLU A 4 -19.299 -18.512 8.612 1.00 0.00 O ATOM 61 OE2 GLU A 4 -19.524 -18.024 6.487 1.00 0.00 O ATOM 0 H GLU A 4 -14.561 -16.747 7.368 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.837 -16.786 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.642 -17.567 8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.440 -15.893 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.687 -15.986 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.772 -15.672 7.104 1.00 0.00 H new ATOM 68 N GLN A 5 -16.882 -14.370 4.868 1.00 0.00 N ATOM 69 CA GLN A 5 -16.915 -13.029 4.279 1.00 0.00 C ATOM 70 C GLN A 5 -15.495 -12.438 4.062 1.00 0.00 C ATOM 71 O GLN A 5 -14.503 -12.998 4.545 1.00 0.00 O ATOM 72 CB GLN A 5 -17.947 -12.158 5.043 1.00 0.00 C ATOM 73 CG GLN A 5 -17.358 -11.077 5.957 1.00 0.00 C ATOM 74 CD GLN A 5 -18.389 -10.429 6.875 1.00 0.00 C ATOM 75 OE1 GLN A 5 -18.601 -10.873 8.003 1.00 0.00 O ATOM 76 NE2 GLN A 5 -19.003 -9.340 6.442 1.00 0.00 N ATOM 0 H GLN A 5 -17.315 -15.060 4.254 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.284 -13.065 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.598 -11.676 4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -18.574 -12.815 5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.568 -11.517 6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -16.895 -10.305 5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.814 -8.987 5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.665 -8.853 7.046 1.00 0.00 H new ATOM 85 N PRO A 6 -15.324 -11.355 3.279 1.00 0.00 N ATOM 86 CA PRO A 6 -14.043 -10.660 3.187 1.00 0.00 C ATOM 87 C PRO A 6 -13.793 -9.865 4.460 1.00 0.00 C ATOM 88 O PRO A 6 -14.725 -9.497 5.168 1.00 0.00 O ATOM 89 CB PRO A 6 -14.164 -9.759 1.958 1.00 0.00 C ATOM 90 CG PRO A 6 -15.644 -9.386 1.975 1.00 0.00 C ATOM 91 CD PRO A 6 -16.319 -10.671 2.466 1.00 0.00 C ATOM 0 HA PRO A 6 -13.197 -11.339 3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.522 -8.881 2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.886 -10.281 1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.841 -8.547 2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.999 -9.097 0.986 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -17.212 -10.446 3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.634 -11.293 1.628 1.00 0.00 H new ATOM 99 N ILE A 7 -12.526 -9.578 4.751 1.00 0.00 N ATOM 100 CA ILE A 7 -12.153 -8.948 6.005 1.00 0.00 C ATOM 101 C ILE A 7 -12.503 -7.457 5.900 1.00 0.00 C ATOM 102 O ILE A 7 -11.689 -6.658 5.457 1.00 0.00 O ATOM 103 CB ILE A 7 -10.674 -9.229 6.348 1.00 0.00 C ATOM 104 CG1 ILE A 7 -10.315 -10.735 6.261 1.00 0.00 C ATOM 105 CG2 ILE A 7 -10.410 -8.711 7.769 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.828 -11.036 6.477 1.00 0.00 C ATOM 0 H ILE A 7 -11.741 -9.775 4.130 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.711 -9.367 6.842 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.048 -8.718 5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.897 -11.280 7.004 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.613 -11.113 5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.370 -8.897 8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.608 -7.640 7.809 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.064 -9.227 8.472 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.659 -12.110 6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.239 -10.521 5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.527 -10.691 7.466 1.00 0.00 H new ATOM 118 N ASP A 8 -13.751 -7.128 6.226 1.00 0.00 N ATOM 119 CA ASP A 8 -14.520 -5.887 6.027 1.00 0.00 C ATOM 120 C ASP A 8 -14.262 -5.151 4.710 1.00 0.00 C ATOM 121 O ASP A 8 -14.510 -3.950 4.600 1.00 0.00 O ATOM 122 CB ASP A 8 -14.389 -4.954 7.246 1.00 0.00 C ATOM 123 CG ASP A 8 -15.692 -4.181 7.499 1.00 0.00 C ATOM 124 OD1 ASP A 8 -16.675 -4.857 7.894 1.00 0.00 O ATOM 125 OD2 ASP A 8 -15.740 -2.934 7.367 1.00 0.00 O ATOM 0 H ASP A 8 -14.332 -7.818 6.702 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.556 -6.213 5.939 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.134 -5.540 8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.572 -4.251 7.083 1.00 0.00 H new ATOM 130 N LEU A 9 -13.711 -5.849 3.718 1.00 0.00 N ATOM 131 CA LEU A 9 -12.888 -5.247 2.699 1.00 0.00 C ATOM 132 C LEU A 9 -13.774 -4.545 1.701 1.00 0.00 C ATOM 133 O LEU A 9 -14.773 -5.115 1.255 1.00 0.00 O ATOM 134 CB LEU A 9 -12.044 -6.337 2.026 1.00 0.00 C ATOM 135 CG LEU A 9 -10.738 -5.783 1.444 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.728 -5.419 2.539 1.00 0.00 C ATOM 137 CD2 LEU A 9 -10.100 -6.856 0.574 1.00 0.00 C ATOM 0 H LEU A 9 -13.831 -6.856 3.608 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.213 -4.511 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.814 -7.116 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.625 -6.804 1.231 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.983 -4.884 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.818 -5.031 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.158 -4.660 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.489 -6.307 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.169 -6.477 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.891 -7.738 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.782 -7.123 -0.233 1.00 0.00 H new ATOM 149 N VAL A 10 -13.386 -3.334 1.321 1.00 0.00 N ATOM 150 CA VAL A 10 -14.098 -2.559 0.323 1.00 0.00 C ATOM 151 C VAL A 10 -13.087 -1.892 -0.601 1.00 0.00 C ATOM 152 O VAL A 10 -12.029 -1.438 -0.160 1.00 0.00 O ATOM 153 CB VAL A 10 -15.088 -1.547 0.940 1.00 0.00 C ATOM 154 CG1 VAL A 10 -16.496 -2.144 0.937 1.00 0.00 C ATOM 155 CG2 VAL A 10 -14.748 -1.107 2.369 1.00 0.00 C ATOM 0 H VAL A 10 -12.565 -2.863 1.700 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.721 -3.237 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.020 -0.655 0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -17.195 -1.430 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.795 -2.366 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -16.503 -3.062 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.497 -0.397 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.738 -1.977 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.766 -0.633 2.380 1.00 0.00 H new ATOM 165 N PRO A 11 -13.375 -1.844 -1.904 1.00 0.00 N ATOM 166 CA PRO A 11 -12.535 -1.140 -2.846 1.00 0.00 C ATOM 167 C PRO A 11 -12.637 0.363 -2.607 1.00 0.00 C ATOM 168 O PRO A 11 -13.635 0.863 -2.092 1.00 0.00 O ATOM 169 CB PRO A 11 -13.024 -1.583 -4.218 1.00 0.00 C ATOM 170 CG PRO A 11 -14.441 -2.095 -4.012 1.00 0.00 C ATOM 171 CD PRO A 11 -14.543 -2.429 -2.537 1.00 0.00 C ATOM 0 HA PRO A 11 -11.474 -1.367 -2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.008 -0.753 -4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.383 -2.363 -4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.175 -1.341 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.634 -2.974 -4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.460 -2.024 -2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.569 -3.508 -2.384 1.00 0.00 H new ATOM 179 N THR A 12 -11.613 1.104 -3.004 1.00 0.00 N ATOM 180 CA THR A 12 -11.598 2.557 -2.974 1.00 0.00 C ATOM 181 C THR A 12 -10.693 3.001 -4.129 1.00 0.00 C ATOM 182 O THR A 12 -10.382 2.206 -5.026 1.00 0.00 O ATOM 183 CB THR A 12 -11.216 3.058 -1.556 1.00 0.00 C ATOM 184 OG1 THR A 12 -11.298 4.467 -1.472 1.00 0.00 O ATOM 185 CG2 THR A 12 -9.825 2.622 -1.099 1.00 0.00 C ATOM 0 H THR A 12 -10.749 0.700 -3.365 1.00 0.00 H new ATOM 0 HA THR A 12 -12.574 3.014 -3.139 1.00 0.00 H new ATOM 0 HB THR A 12 -11.943 2.593 -0.890 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.008 4.789 -2.065 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.632 3.011 -0.099 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.773 1.533 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.077 3.010 -1.790 1.00 0.00 H new ATOM 193 N GLN A 13 -10.317 4.273 -4.160 1.00 0.00 N ATOM 194 CA GLN A 13 -9.430 4.847 -5.154 1.00 0.00 C ATOM 195 C GLN A 13 -8.691 6.036 -4.526 1.00 0.00 C ATOM 196 O GLN A 13 -9.160 6.584 -3.521 1.00 0.00 O ATOM 197 CB GLN A 13 -10.252 5.238 -6.402 1.00 0.00 C ATOM 198 CG GLN A 13 -11.382 6.243 -6.126 1.00 0.00 C ATOM 199 CD GLN A 13 -12.175 6.560 -7.390 1.00 0.00 C ATOM 200 OE1 GLN A 13 -12.530 5.670 -8.164 1.00 0.00 O ATOM 201 NE2 GLN A 13 -12.465 7.823 -7.651 1.00 0.00 N ATOM 0 H GLN A 13 -10.634 4.953 -3.469 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.678 4.128 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.579 5.661 -7.148 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.682 4.336 -6.837 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -12.052 5.838 -5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.960 7.163 -5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.170 8.558 -7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.984 8.063 -8.495 1.00 0.00 H new ATOM 210 N PRO A 14 -7.560 6.473 -5.102 1.00 0.00 N ATOM 211 CA PRO A 14 -6.945 7.738 -4.742 1.00 0.00 C ATOM 212 C PRO A 14 -7.899 8.873 -5.116 1.00 0.00 C ATOM 213 O PRO A 14 -8.612 8.787 -6.125 1.00 0.00 O ATOM 214 CB PRO A 14 -5.642 7.797 -5.539 1.00 0.00 C ATOM 215 CG PRO A 14 -5.906 6.916 -6.751 1.00 0.00 C ATOM 216 CD PRO A 14 -6.820 5.836 -6.176 1.00 0.00 C ATOM 0 HA PRO A 14 -6.740 7.833 -3.676 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.401 8.818 -5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.800 7.427 -4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.387 7.468 -7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.986 6.496 -7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.495 5.448 -6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.241 4.991 -5.804 1.00 0.00 H new ATOM 224 N LEU A 15 -7.898 9.930 -4.310 1.00 0.00 N ATOM 225 CA LEU A 15 -8.652 11.141 -4.589 1.00 0.00 C ATOM 226 C LEU A 15 -8.008 11.862 -5.782 1.00 0.00 C ATOM 227 O LEU A 15 -6.826 11.648 -6.083 1.00 0.00 O ATOM 228 CB LEU A 15 -8.782 11.964 -3.295 1.00 0.00 C ATOM 229 CG LEU A 15 -7.624 12.930 -3.011 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.035 14.351 -3.386 1.00 0.00 C ATOM 231 CD2 LEU A 15 -7.263 12.913 -1.529 1.00 0.00 C ATOM 0 H LEU A 15 -7.369 9.968 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.677 10.935 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.708 12.537 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.874 11.276 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.764 12.613 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.210 15.034 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.285 14.390 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.904 14.646 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.440 13.604 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.129 13.216 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.962 11.906 -1.239 1.00 0.00 H new ATOM 243 N PRO A 16 -8.782 12.668 -6.514 1.00 0.00 N ATOM 244 CA PRO A 16 -8.308 13.346 -7.708 1.00 0.00 C ATOM 245 C PRO A 16 -7.358 14.484 -7.322 1.00 0.00 C ATOM 246 O PRO A 16 -7.320 14.902 -6.176 1.00 0.00 O ATOM 247 CB PRO A 16 -9.579 13.848 -8.386 1.00 0.00 C ATOM 248 CG PRO A 16 -10.582 14.019 -7.251 1.00 0.00 C ATOM 249 CD PRO A 16 -10.167 12.989 -6.228 1.00 0.00 C ATOM 0 HA PRO A 16 -7.735 12.703 -8.377 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.405 14.790 -8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.939 13.136 -9.129 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.547 15.027 -6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.603 13.850 -7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.275 13.380 -5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.794 12.100 -6.295 1.00 0.00 H new ATOM 257 N ASN A 17 -6.587 15.012 -8.267 1.00 0.00 N ATOM 258 CA ASN A 17 -5.594 16.084 -8.110 1.00 0.00 C ATOM 259 C ASN A 17 -4.441 15.800 -7.137 1.00 0.00 C ATOM 260 O ASN A 17 -3.393 16.426 -7.298 1.00 0.00 O ATOM 261 CB ASN A 17 -6.234 17.470 -7.864 1.00 0.00 C ATOM 262 CG ASN A 17 -6.478 17.812 -6.392 1.00 0.00 C ATOM 263 OD1 ASN A 17 -5.537 18.052 -5.643 1.00 0.00 O ATOM 264 ND2 ASN A 17 -7.722 17.876 -5.948 1.00 0.00 N ATOM 0 H ASN A 17 -6.638 14.684 -9.231 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.112 16.110 -9.087 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.590 18.234 -8.298 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.185 17.515 -8.395 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.904 18.126 -4.976 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.499 17.675 -6.577 1.00 0.00 H new ATOM 271 N ALA A 18 -4.562 14.851 -6.204 1.00 0.00 N ATOM 272 CA ALA A 18 -3.489 14.448 -5.301 1.00 0.00 C ATOM 273 C ALA A 18 -2.200 14.111 -6.061 1.00 0.00 C ATOM 274 O ALA A 18 -2.238 13.689 -7.225 1.00 0.00 O ATOM 275 CB ALA A 18 -3.973 13.258 -4.478 1.00 0.00 C ATOM 0 H ALA A 18 -5.428 14.333 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.245 15.280 -4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.184 12.942 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.854 13.546 -3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.228 12.434 -5.145 1.00 0.00 H new ATOM 281 N SER A 19 -1.067 14.282 -5.385 1.00 0.00 N ATOM 282 CA SER A 19 0.256 14.378 -5.970 1.00 0.00 C ATOM 283 C SER A 19 1.260 14.007 -4.878 1.00 0.00 C ATOM 284 O SER A 19 1.002 14.180 -3.682 1.00 0.00 O ATOM 285 CB SER A 19 0.482 15.806 -6.508 1.00 0.00 C ATOM 286 OG SER A 19 -0.300 16.798 -5.857 1.00 0.00 O ATOM 0 H SER A 19 -1.052 14.360 -4.368 1.00 0.00 H new ATOM 0 HA SER A 19 0.376 13.700 -6.815 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.536 16.061 -6.401 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.256 15.822 -7.574 1.00 0.00 H new ATOM 0 HG SER A 19 -0.105 17.676 -6.246 1.00 0.00 H new ATOM 292 N PHE A 20 2.374 13.401 -5.271 1.00 0.00 N ATOM 293 CA PHE A 20 3.356 12.894 -4.341 1.00 0.00 C ATOM 294 C PHE A 20 3.936 14.057 -3.546 1.00 0.00 C ATOM 295 O PHE A 20 4.104 15.171 -4.060 1.00 0.00 O ATOM 296 CB PHE A 20 4.444 12.101 -5.084 1.00 0.00 C ATOM 297 CG PHE A 20 5.505 11.500 -4.177 1.00 0.00 C ATOM 298 CD1 PHE A 20 5.135 10.709 -3.071 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.867 11.773 -4.406 1.00 0.00 C ATOM 300 CE1 PHE A 20 6.109 10.242 -2.175 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.840 11.302 -3.510 1.00 0.00 C ATOM 302 CZ PHE A 20 7.457 10.560 -2.379 1.00 0.00 C ATOM 0 H PHE A 20 2.616 13.250 -6.250 1.00 0.00 H new ATOM 0 HA PHE A 20 2.885 12.203 -3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.970 11.300 -5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.929 12.759 -5.805 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.096 10.461 -2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.164 12.346 -5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.819 9.638 -1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.884 11.510 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.202 10.235 -1.668 1.00 0.00 H new ATOM 312 N ASP A 21 4.260 13.792 -2.288 1.00 0.00 N ATOM 313 CA ASP A 21 4.838 14.747 -1.364 1.00 0.00 C ATOM 314 C ASP A 21 5.827 13.973 -0.482 1.00 0.00 C ATOM 315 O ASP A 21 5.738 12.747 -0.459 1.00 0.00 O ATOM 316 CB ASP A 21 3.706 15.400 -0.559 1.00 0.00 C ATOM 317 CG ASP A 21 4.186 16.550 0.323 1.00 0.00 C ATOM 318 OD1 ASP A 21 4.457 17.644 -0.228 1.00 0.00 O ATOM 319 OD2 ASP A 21 4.235 16.382 1.563 1.00 0.00 O ATOM 0 H ASP A 21 4.121 12.871 -1.872 1.00 0.00 H new ATOM 0 HA ASP A 21 5.374 15.552 -1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.946 15.770 -1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.230 14.645 0.066 1.00 0.00 H new ATOM 324 N ASN A 22 6.750 14.632 0.230 1.00 0.00 N ATOM 325 CA ASN A 22 7.996 14.047 0.765 1.00 0.00 C ATOM 326 C ASN A 22 7.827 12.979 1.864 1.00 0.00 C ATOM 327 O ASN A 22 8.793 12.684 2.575 1.00 0.00 O ATOM 328 CB ASN A 22 8.962 15.170 1.232 1.00 0.00 C ATOM 329 CG ASN A 22 10.093 15.456 0.258 1.00 0.00 C ATOM 330 OD1 ASN A 22 10.071 16.440 -0.478 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.116 14.619 0.246 1.00 0.00 N ATOM 0 H ASN A 22 6.651 15.621 0.460 1.00 0.00 H new ATOM 0 HA ASN A 22 8.423 13.498 -0.074 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.391 16.085 1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.388 14.891 2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.903 14.785 -0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.118 13.807 0.864 1.00 0.00 H new ATOM 338 N PHE A 23 6.643 12.405 2.076 1.00 0.00 N ATOM 339 CA PHE A 23 6.525 11.233 2.927 1.00 0.00 C ATOM 340 C PHE A 23 7.433 10.118 2.397 1.00 0.00 C ATOM 341 O PHE A 23 7.631 9.949 1.194 1.00 0.00 O ATOM 342 CB PHE A 23 5.064 10.768 3.061 1.00 0.00 C ATOM 343 CG PHE A 23 4.458 10.067 1.856 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.638 8.681 1.662 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.687 10.798 0.936 1.00 0.00 C ATOM 346 CE1 PHE A 23 4.064 8.037 0.552 1.00 0.00 C ATOM 347 CE2 PHE A 23 3.114 10.153 -0.172 1.00 0.00 C ATOM 348 CZ PHE A 23 3.301 8.773 -0.369 1.00 0.00 C ATOM 0 H PHE A 23 5.765 12.731 1.673 1.00 0.00 H new ATOM 0 HA PHE A 23 6.853 11.499 3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.998 10.094 3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.450 11.638 3.293 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.221 8.111 2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.535 11.857 1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.210 6.977 0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.526 10.721 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.860 8.282 -1.224 1.00 0.00 H new ATOM 358 N LYS A 24 7.950 9.326 3.324 1.00 0.00 N ATOM 359 CA LYS A 24 8.489 8.004 3.075 1.00 0.00 C ATOM 360 C LYS A 24 7.504 7.035 3.703 1.00 0.00 C ATOM 361 O LYS A 24 6.714 7.416 4.573 1.00 0.00 O ATOM 362 CB LYS A 24 9.879 7.923 3.721 1.00 0.00 C ATOM 363 CG LYS A 24 10.684 6.683 3.340 1.00 0.00 C ATOM 364 CD LYS A 24 12.036 6.555 4.048 1.00 0.00 C ATOM 365 CE LYS A 24 12.649 5.299 3.417 1.00 0.00 C ATOM 366 NZ LYS A 24 13.972 4.922 3.953 1.00 0.00 N ATOM 0 H LYS A 24 8.006 9.599 4.305 1.00 0.00 H new ATOM 0 HA LYS A 24 8.610 7.772 2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.448 8.810 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.764 7.947 4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.088 5.798 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.853 6.693 2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.661 7.433 3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.917 6.446 5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.963 4.465 3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.739 5.456 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.310 4.065 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.646 5.698 3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.893 4.737 4.973 1.00 0.00 H new ATOM 380 N LEU A 25 7.608 5.766 3.341 1.00 0.00 N ATOM 381 CA LEU A 25 6.981 4.683 4.090 1.00 0.00 C ATOM 382 C LEU A 25 8.007 3.631 4.495 1.00 0.00 C ATOM 383 O LEU A 25 9.071 3.521 3.880 1.00 0.00 O ATOM 384 CB LEU A 25 5.736 4.134 3.373 1.00 0.00 C ATOM 385 CG LEU A 25 5.854 3.829 1.870 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.731 2.613 1.568 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.456 3.536 1.322 1.00 0.00 C ATOM 0 H LEU A 25 8.129 5.456 2.521 1.00 0.00 H new ATOM 0 HA LEU A 25 6.595 5.083 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.435 3.217 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.927 4.852 3.507 1.00 0.00 H new ATOM 0 HG LEU A 25 6.315 4.700 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.772 2.453 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.738 2.787 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.309 1.731 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.521 3.317 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.034 2.677 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.816 4.405 1.476 1.00 0.00 H new ATOM 399 N THR A 26 7.707 2.882 5.553 1.00 0.00 N ATOM 400 CA THR A 26 8.671 2.068 6.279 1.00 0.00 C ATOM 401 C THR A 26 7.984 0.778 6.748 1.00 0.00 C ATOM 402 O THR A 26 6.788 0.790 7.057 1.00 0.00 O ATOM 403 CB THR A 26 9.232 2.907 7.449 1.00 0.00 C ATOM 404 OG1 THR A 26 8.227 3.312 8.356 1.00 0.00 O ATOM 405 CG2 THR A 26 9.878 4.220 6.998 1.00 0.00 C ATOM 0 H THR A 26 6.764 2.825 5.936 1.00 0.00 H new ATOM 0 HA THR A 26 9.509 1.774 5.646 1.00 0.00 H new ATOM 0 HB THR A 26 9.960 2.237 7.906 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.631 3.837 9.078 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.251 4.760 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.706 4.005 6.322 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.138 4.831 6.482 1.00 0.00 H new ATOM 413 N CYS A 27 8.699 -0.352 6.780 1.00 0.00 N ATOM 414 CA CYS A 27 8.185 -1.641 7.234 1.00 0.00 C ATOM 415 C CYS A 27 9.350 -2.623 7.388 1.00 0.00 C ATOM 416 O CYS A 27 10.414 -2.403 6.811 1.00 0.00 O ATOM 417 CB CYS A 27 7.117 -2.121 6.243 1.00 0.00 C ATOM 418 SG CYS A 27 6.079 -3.442 6.948 1.00 0.00 S ATOM 0 H CYS A 27 9.674 -0.392 6.483 1.00 0.00 H new ATOM 0 HA CYS A 27 7.710 -1.560 8.211 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.487 -1.280 5.953 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.601 -2.484 5.336 1.00 0.00 H new ATOM 0 HG CYS A 27 5.170 -2.917 7.715 1.00 0.00 H new ATOM 424 N SER A 28 9.142 -3.703 8.147 1.00 0.00 N ATOM 425 CA SER A 28 10.173 -4.645 8.568 1.00 0.00 C ATOM 426 C SER A 28 10.926 -5.278 7.400 1.00 0.00 C ATOM 427 O SER A 28 12.158 -5.362 7.448 1.00 0.00 O ATOM 428 CB SER A 28 9.537 -5.757 9.392 1.00 0.00 C ATOM 429 OG SER A 28 8.831 -5.250 10.503 1.00 0.00 O ATOM 0 H SER A 28 8.216 -3.951 8.496 1.00 0.00 H new ATOM 0 HA SER A 28 10.894 -4.075 9.154 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.858 -6.333 8.763 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.312 -6.442 9.736 1.00 0.00 H new ATOM 0 HG SER A 28 8.436 -5.992 11.006 1.00 0.00 H new ATOM 435 N ASN A 29 10.204 -5.757 6.379 1.00 0.00 N ATOM 436 CA ASN A 29 10.864 -6.222 5.158 1.00 0.00 C ATOM 437 C ASN A 29 11.295 -4.959 4.426 1.00 0.00 C ATOM 438 O ASN A 29 10.436 -4.185 3.982 1.00 0.00 O ATOM 439 CB ASN A 29 9.975 -7.147 4.302 1.00 0.00 C ATOM 440 CG ASN A 29 10.614 -7.522 2.966 1.00 0.00 C ATOM 441 OD1 ASN A 29 11.132 -6.689 2.231 1.00 0.00 O ATOM 442 ND2 ASN A 29 10.636 -8.791 2.616 1.00 0.00 N ATOM 0 H ASN A 29 9.187 -5.831 6.374 1.00 0.00 H new ATOM 0 HA ASN A 29 11.722 -6.853 5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.760 -8.056 4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.021 -6.654 4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.081 -9.071 1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.208 -9.494 3.219 1.00 0.00 H new ATOM 449 N THR A 30 12.609 -4.747 4.358 1.00 0.00 N ATOM 450 CA THR A 30 13.227 -3.576 3.755 1.00 0.00 C ATOM 451 C THR A 30 12.744 -3.397 2.320 1.00 0.00 C ATOM 452 O THR A 30 12.295 -2.305 1.974 1.00 0.00 O ATOM 453 CB THR A 30 14.760 -3.712 3.789 1.00 0.00 C ATOM 454 OG1 THR A 30 15.131 -4.995 3.306 1.00 0.00 O ATOM 455 CG2 THR A 30 15.337 -3.469 5.184 1.00 0.00 C ATOM 0 H THR A 30 13.289 -5.408 4.733 1.00 0.00 H new ATOM 0 HA THR A 30 12.938 -2.695 4.328 1.00 0.00 H new ATOM 0 HB THR A 30 15.180 -2.941 3.143 1.00 0.00 H new ATOM 0 HG1 THR A 30 16.107 -5.082 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 30 16.421 -3.577 5.153 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.082 -2.462 5.513 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.920 -4.195 5.882 1.00 0.00 H new ATOM 463 N LYS A 31 12.841 -4.448 1.494 1.00 0.00 N ATOM 464 CA LYS A 31 12.550 -4.383 0.069 1.00 0.00 C ATOM 465 C LYS A 31 11.107 -3.975 -0.152 1.00 0.00 C ATOM 466 O LYS A 31 10.880 -3.200 -1.069 1.00 0.00 O ATOM 467 CB LYS A 31 12.890 -5.683 -0.685 1.00 0.00 C ATOM 468 CG LYS A 31 12.582 -5.607 -2.199 1.00 0.00 C ATOM 469 CD LYS A 31 13.236 -4.462 -3.005 1.00 0.00 C ATOM 470 CE LYS A 31 14.766 -4.525 -3.131 1.00 0.00 C ATOM 471 NZ LYS A 31 15.496 -3.766 -2.089 1.00 0.00 N ATOM 0 H LYS A 31 13.128 -5.375 1.808 1.00 0.00 H new ATOM 0 HA LYS A 31 13.204 -3.621 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.947 -5.910 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.327 -6.507 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.884 -6.552 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.501 -5.528 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.807 -4.457 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.967 -3.514 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.079 -5.568 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.054 -4.143 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.512 -3.760 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.142 -2.788 -2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.347 -4.216 -1.163 1.00 0.00 H new ATOM 485 N PHE A 32 10.147 -4.441 0.650 1.00 0.00 N ATOM 486 CA PHE A 32 8.763 -4.034 0.449 1.00 0.00 C ATOM 487 C PHE A 32 8.634 -2.511 0.487 1.00 0.00 C ATOM 488 O PHE A 32 8.202 -1.908 -0.494 1.00 0.00 O ATOM 489 CB PHE A 32 7.850 -4.681 1.493 1.00 0.00 C ATOM 490 CG PHE A 32 6.402 -4.787 1.047 1.00 0.00 C ATOM 491 CD1 PHE A 32 6.091 -5.513 -0.116 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.364 -4.181 1.777 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.762 -5.623 -0.560 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.030 -4.311 1.348 1.00 0.00 C ATOM 495 CZ PHE A 32 3.730 -5.029 0.179 1.00 0.00 C ATOM 0 H PHE A 32 10.300 -5.085 1.426 1.00 0.00 H new ATOM 0 HA PHE A 32 8.449 -4.377 -0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.225 -5.678 1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.897 -4.101 2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.882 -5.991 -0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.591 -3.615 2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.537 -6.163 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.234 -3.857 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.706 -5.123 -0.150 1.00 0.00 H new ATOM 505 N ALA A 33 9.033 -1.885 1.602 1.00 0.00 N ATOM 506 CA ALA A 33 8.989 -0.437 1.721 1.00 0.00 C ATOM 507 C ALA A 33 9.877 0.251 0.676 1.00 0.00 C ATOM 508 O ALA A 33 9.543 1.329 0.200 1.00 0.00 O ATOM 509 CB ALA A 33 9.412 -0.046 3.140 1.00 0.00 C ATOM 0 H ALA A 33 9.388 -2.365 2.429 1.00 0.00 H new ATOM 0 HA ALA A 33 7.970 -0.100 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.383 1.039 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.729 -0.497 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.425 -0.401 3.329 1.00 0.00 H new ATOM 515 N ASP A 34 11.015 -0.339 0.343 1.00 0.00 N ATOM 516 CA ASP A 34 12.050 0.252 -0.506 1.00 0.00 C ATOM 517 C ASP A 34 11.613 0.312 -1.965 1.00 0.00 C ATOM 518 O ASP A 34 11.739 1.362 -2.591 1.00 0.00 O ATOM 519 CB ASP A 34 13.321 -0.581 -0.378 1.00 0.00 C ATOM 520 CG ASP A 34 14.455 -0.136 -1.290 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.914 1.018 -1.130 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.003 -1.007 -2.005 1.00 0.00 O ATOM 0 H ASP A 34 11.256 -1.276 0.666 1.00 0.00 H new ATOM 0 HA ASP A 34 12.230 1.275 -0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.665 -0.542 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.083 -1.622 -0.595 1.00 0.00 H new ATOM 527 N ASP A 35 11.069 -0.791 -2.484 1.00 0.00 N ATOM 528 CA ASP A 35 10.531 -0.901 -3.838 1.00 0.00 C ATOM 529 C ASP A 35 9.382 0.083 -4.010 1.00 0.00 C ATOM 530 O ASP A 35 9.338 0.841 -4.973 1.00 0.00 O ATOM 531 CB ASP A 35 10.057 -2.323 -4.124 1.00 0.00 C ATOM 532 CG ASP A 35 9.973 -2.546 -5.634 1.00 0.00 C ATOM 533 OD1 ASP A 35 10.992 -2.983 -6.217 1.00 0.00 O ATOM 534 OD2 ASP A 35 8.915 -2.309 -6.256 1.00 0.00 O ATOM 0 H ASP A 35 10.989 -1.659 -1.955 1.00 0.00 H new ATOM 0 HA ASP A 35 11.322 -0.662 -4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.745 -3.042 -3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.081 -2.490 -3.667 1.00 0.00 H new ATOM 539 N LEU A 36 8.501 0.150 -3.012 1.00 0.00 N ATOM 540 CA LEU A 36 7.396 1.092 -2.986 1.00 0.00 C ATOM 541 C LEU A 36 7.881 2.530 -3.038 1.00 0.00 C ATOM 542 O LEU A 36 7.392 3.315 -3.849 1.00 0.00 O ATOM 543 CB LEU A 36 6.607 0.892 -1.699 1.00 0.00 C ATOM 544 CG LEU A 36 5.680 -0.314 -1.775 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.214 -0.635 -0.361 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.489 0.005 -2.682 1.00 0.00 C ATOM 0 H LEU A 36 8.540 -0.457 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 36 6.775 0.907 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.299 0.765 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.020 1.787 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 36 6.199 -1.175 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.547 -1.497 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.078 -0.862 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.683 0.223 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.829 -0.861 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.941 0.856 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.848 0.247 -3.682 1.00 0.00 H new ATOM 558 N ASN A 37 8.845 2.878 -2.183 1.00 0.00 N ATOM 559 CA ASN A 37 9.432 4.207 -2.172 1.00 0.00 C ATOM 560 C ASN A 37 10.054 4.521 -3.539 1.00 0.00 C ATOM 561 O ASN A 37 10.051 5.677 -3.966 1.00 0.00 O ATOM 562 CB ASN A 37 10.483 4.283 -1.056 1.00 0.00 C ATOM 563 CG ASN A 37 9.903 4.608 0.319 1.00 0.00 C ATOM 564 OD1 ASN A 37 9.254 5.620 0.548 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.133 3.746 1.290 1.00 0.00 N ATOM 0 H ASN A 37 9.235 2.245 -1.484 1.00 0.00 H new ATOM 0 HA ASN A 37 8.659 4.951 -1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.010 3.331 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.221 5.041 -1.317 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.771 3.924 2.227 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.673 2.901 1.104 1.00 0.00 H new ATOM 572 N GLN A 38 10.561 3.510 -4.251 1.00 0.00 N ATOM 573 CA GLN A 38 11.144 3.629 -5.567 1.00 0.00 C ATOM 574 C GLN A 38 10.064 3.856 -6.635 1.00 0.00 C ATOM 575 O GLN A 38 10.317 4.636 -7.558 1.00 0.00 O ATOM 576 CB GLN A 38 11.980 2.366 -5.815 1.00 0.00 C ATOM 577 CG GLN A 38 13.458 2.563 -5.459 1.00 0.00 C ATOM 578 CD GLN A 38 14.262 3.026 -6.665 1.00 0.00 C ATOM 579 OE1 GLN A 38 14.689 2.208 -7.475 1.00 0.00 O ATOM 580 NE2 GLN A 38 14.493 4.321 -6.820 1.00 0.00 N ATOM 0 H GLN A 38 10.571 2.552 -3.901 1.00 0.00 H new ATOM 0 HA GLN A 38 11.793 4.503 -5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.574 1.544 -5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.897 2.079 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.546 3.296 -4.658 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.871 1.627 -5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.132 4.989 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.032 4.651 -7.621 1.00 0.00 H new ATOM 589 N MET A 39 8.866 3.274 -6.508 1.00 0.00 N ATOM 590 CA MET A 39 7.782 3.439 -7.470 1.00 0.00 C ATOM 591 C MET A 39 7.197 4.853 -7.491 1.00 0.00 C ATOM 592 O MET A 39 6.480 5.182 -8.435 1.00 0.00 O ATOM 593 CB MET A 39 6.661 2.455 -7.143 1.00 0.00 C ATOM 594 CG MET A 39 7.055 0.985 -7.302 1.00 0.00 C ATOM 595 SD MET A 39 5.990 -0.169 -6.395 1.00 0.00 S ATOM 596 CE MET A 39 4.401 0.423 -6.997 1.00 0.00 C ATOM 0 H MET A 39 8.624 2.669 -5.723 1.00 0.00 H new ATOM 0 HA MET A 39 8.209 3.248 -8.454 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.332 2.623 -6.118 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.809 2.664 -7.790 1.00 0.00 H new ATOM 0 HG2 MET A 39 7.034 0.727 -8.361 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.083 0.857 -6.963 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.621 -0.289 -6.726 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.180 1.392 -6.549 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.438 0.525 -8.082 1.00 0.00 H new ATOM 606 N THR A 40 7.472 5.680 -6.481 1.00 0.00 N ATOM 607 CA THR A 40 6.992 7.059 -6.398 1.00 0.00 C ATOM 608 C THR A 40 8.154 8.049 -6.239 1.00 0.00 C ATOM 609 O THR A 40 7.901 9.241 -6.084 1.00 0.00 O ATOM 610 CB THR A 40 5.906 7.141 -5.305 1.00 0.00 C ATOM 611 OG1 THR A 40 5.212 8.375 -5.301 1.00 0.00 O ATOM 612 CG2 THR A 40 6.450 6.857 -3.900 1.00 0.00 C ATOM 0 H THR A 40 8.045 5.404 -5.684 1.00 0.00 H new ATOM 0 HA THR A 40 6.520 7.362 -7.333 1.00 0.00 H new ATOM 0 HB THR A 40 5.199 6.354 -5.567 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.428 8.869 -4.483 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.640 6.929 -3.175 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.875 5.854 -3.870 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.223 7.586 -3.655 1.00 0.00 H new ATOM 620 N GLY A 41 9.412 7.591 -6.297 1.00 0.00 N ATOM 621 CA GLY A 41 10.564 8.478 -6.324 1.00 0.00 C ATOM 622 C GLY A 41 10.781 9.240 -5.018 1.00 0.00 C ATOM 623 O GLY A 41 11.188 10.401 -5.063 1.00 0.00 O ATOM 0 H GLY A 41 9.650 6.600 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.457 7.893 -6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.441 9.194 -7.137 1.00 0.00 H new ATOM 627 N PHE A 42 10.536 8.608 -3.868 1.00 0.00 N ATOM 628 CA PHE A 42 10.810 9.189 -2.554 1.00 0.00 C ATOM 629 C PHE A 42 12.282 9.623 -2.444 1.00 0.00 C ATOM 630 O PHE A 42 13.177 8.884 -2.886 1.00 0.00 O ATOM 631 CB PHE A 42 10.430 8.172 -1.453 1.00 0.00 C ATOM 632 CG PHE A 42 11.324 8.265 -0.235 1.00 0.00 C ATOM 633 CD1 PHE A 42 11.160 9.330 0.667 1.00 0.00 C ATOM 634 CD2 PHE A 42 12.460 7.434 -0.145 1.00 0.00 C ATOM 635 CE1 PHE A 42 12.167 9.599 1.604 1.00 0.00 C ATOM 636 CE2 PHE A 42 13.456 7.695 0.806 1.00 0.00 C ATOM 637 CZ PHE A 42 13.315 8.794 1.665 1.00 0.00 C ATOM 0 H PHE A 42 10.138 7.670 -3.824 1.00 0.00 H new ATOM 0 HA PHE A 42 10.203 10.085 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.396 8.338 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.485 7.163 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.266 9.936 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.563 6.592 -0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.059 10.431 2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 42 14.324 7.056 0.876 1.00 0.00 H new ATOM 0 HZ PHE A 42 14.094 9.022 2.377 1.00 0.00 H new ATOM 647 N THR A 43 12.527 10.764 -1.788 1.00 0.00 N ATOM 648 CA THR A 43 13.837 11.308 -1.465 1.00 0.00 C ATOM 649 C THR A 43 13.794 11.922 -0.056 1.00 0.00 C ATOM 650 O THR A 43 12.729 12.282 0.451 1.00 0.00 O ATOM 651 CB THR A 43 14.161 12.353 -2.552 1.00 0.00 C ATOM 652 OG1 THR A 43 13.997 11.846 -3.868 1.00 0.00 O ATOM 653 CG2 THR A 43 15.587 12.880 -2.491 1.00 0.00 C ATOM 0 H THR A 43 11.770 11.360 -1.453 1.00 0.00 H new ATOM 0 HA THR A 43 14.616 10.546 -1.454 1.00 0.00 H new ATOM 0 HB THR A 43 13.451 13.152 -2.341 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.213 12.547 -4.518 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.739 13.610 -3.286 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.758 13.355 -1.525 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.286 12.053 -2.618 1.00 0.00 H new ATOM 661 N LYS A 44 14.949 12.010 0.615 1.00 0.00 N ATOM 662 CA LYS A 44 15.082 12.605 1.938 1.00 0.00 C ATOM 663 C LYS A 44 15.450 14.086 1.827 1.00 0.00 C ATOM 664 O LYS A 44 16.039 14.488 0.813 1.00 0.00 O ATOM 665 CB LYS A 44 16.136 11.826 2.750 1.00 0.00 C ATOM 666 CG LYS A 44 15.470 10.937 3.807 1.00 0.00 C ATOM 667 CD LYS A 44 16.304 9.722 4.222 1.00 0.00 C ATOM 668 CE LYS A 44 17.677 10.159 4.752 1.00 0.00 C ATOM 669 NZ LYS A 44 18.517 9.024 5.185 1.00 0.00 N ATOM 0 H LYS A 44 15.831 11.661 0.241 1.00 0.00 H new ATOM 0 HA LYS A 44 14.127 12.543 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.736 11.211 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.817 12.526 3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.260 11.539 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.511 10.591 3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.775 9.158 4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.434 9.056 3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.200 10.715 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.536 10.840 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.430 9.381 5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.035 8.506 5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.678 8.385 4.381 1.00 0.00 H new ATOM 683 N PRO A 45 15.248 14.867 2.896 1.00 0.00 N ATOM 684 CA PRO A 45 14.720 14.392 4.168 1.00 0.00 C ATOM 685 C PRO A 45 13.222 14.039 4.096 1.00 0.00 C ATOM 686 O PRO A 45 12.439 14.840 3.585 1.00 0.00 O ATOM 687 CB PRO A 45 14.939 15.542 5.142 1.00 0.00 C ATOM 688 CG PRO A 45 15.915 16.499 4.470 1.00 0.00 C ATOM 689 CD PRO A 45 15.659 16.258 2.987 1.00 0.00 C ATOM 0 HA PRO A 45 15.223 13.473 4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 45 13.998 16.043 5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.341 15.178 6.087 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.723 17.535 4.750 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.948 16.281 4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.884 16.924 2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.556 16.444 2.397 1.00 0.00 H new ATOM 697 N ALA A 46 12.808 12.851 4.567 1.00 0.00 N ATOM 698 CA ALA A 46 11.398 12.498 4.518 1.00 0.00 C ATOM 699 C ALA A 46 10.612 13.406 5.471 1.00 0.00 C ATOM 700 O ALA A 46 10.975 13.576 6.638 1.00 0.00 O ATOM 701 CB ALA A 46 11.190 11.021 4.874 1.00 0.00 C ATOM 0 H ALA A 46 13.418 12.142 4.974 1.00 0.00 H new ATOM 0 HA ALA A 46 11.030 12.645 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.127 10.782 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.732 10.396 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.563 10.833 5.881 1.00 0.00 H new ATOM 707 N SER A 47 9.522 13.989 4.986 1.00 0.00 N ATOM 708 CA SER A 47 8.650 14.861 5.766 1.00 0.00 C ATOM 709 C SER A 47 7.752 14.099 6.747 1.00 0.00 C ATOM 710 O SER A 47 7.114 14.731 7.590 1.00 0.00 O ATOM 711 CB SER A 47 7.824 15.712 4.799 1.00 0.00 C ATOM 712 OG SER A 47 8.695 16.621 4.157 1.00 0.00 O ATOM 0 H SER A 47 9.213 13.867 4.022 1.00 0.00 H new ATOM 0 HA SER A 47 9.276 15.499 6.390 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.327 15.078 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.043 16.249 5.337 1.00 0.00 H new ATOM 0 HG SER A 47 8.185 17.176 3.531 1.00 0.00 H new ATOM 718 N ARG A 48 7.692 12.768 6.654 1.00 0.00 N ATOM 719 CA ARG A 48 7.089 11.839 7.610 1.00 0.00 C ATOM 720 C ARG A 48 7.452 10.424 7.162 1.00 0.00 C ATOM 721 O ARG A 48 7.803 10.244 5.993 1.00 0.00 O ATOM 722 CB ARG A 48 5.561 12.018 7.723 1.00 0.00 C ATOM 723 CG ARG A 48 4.843 12.424 6.424 1.00 0.00 C ATOM 724 CD ARG A 48 3.425 11.861 6.403 1.00 0.00 C ATOM 725 NE ARG A 48 2.596 12.441 5.338 1.00 0.00 N ATOM 726 CZ ARG A 48 1.861 13.556 5.409 1.00 0.00 C ATOM 727 NH1 ARG A 48 1.891 14.360 6.466 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.067 13.873 4.398 1.00 0.00 N ATOM 0 H ARG A 48 8.091 12.279 5.853 1.00 0.00 H new ATOM 0 HA ARG A 48 7.479 12.039 8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.129 11.083 8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.356 12.773 8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.811 13.510 6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.400 12.056 5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.471 10.780 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.951 12.046 7.367 1.00 0.00 H new ATOM 0 HE ARG A 48 2.579 11.940 4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.490 14.135 7.261 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.316 15.202 6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.021 13.269 3.577 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.501 14.721 4.440 1.00 0.00 H new ATOM 742 N GLU A 49 7.336 9.425 8.036 1.00 0.00 N ATOM 743 CA GLU A 49 7.716 8.045 7.754 1.00 0.00 C ATOM 744 C GLU A 49 6.583 7.109 8.188 1.00 0.00 C ATOM 745 O GLU A 49 6.503 6.700 9.349 1.00 0.00 O ATOM 746 CB GLU A 49 9.040 7.696 8.443 1.00 0.00 C ATOM 747 CG GLU A 49 10.264 8.356 7.781 1.00 0.00 C ATOM 748 CD GLU A 49 11.567 8.232 8.585 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.747 7.247 9.336 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.492 9.066 8.416 1.00 0.00 O ATOM 0 H GLU A 49 6.968 9.557 8.978 1.00 0.00 H new ATOM 0 HA GLU A 49 7.873 7.921 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.990 8.004 9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.171 6.614 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.414 7.910 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.049 9.413 7.622 1.00 0.00 H new ATOM 757 N LEU A 50 5.682 6.825 7.248 1.00 0.00 N ATOM 758 CA LEU A 50 4.454 6.063 7.475 1.00 0.00 C ATOM 759 C LEU A 50 4.732 4.566 7.554 1.00 0.00 C ATOM 760 O LEU A 50 5.277 3.975 6.618 1.00 0.00 O ATOM 761 CB LEU A 50 3.420 6.272 6.359 1.00 0.00 C ATOM 762 CG LEU A 50 2.828 7.673 6.159 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.726 8.518 7.436 1.00 0.00 C ATOM 764 CD2 LEU A 50 3.550 8.409 5.050 1.00 0.00 C ATOM 0 H LEU A 50 5.789 7.127 6.280 1.00 0.00 H new ATOM 0 HA LEU A 50 4.057 6.433 8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.882 5.971 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.593 5.586 6.542 1.00 0.00 H new ATOM 0 HG LEU A 50 1.792 7.512 5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.297 9.491 7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.089 8.009 8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.720 8.656 7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.113 9.400 4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.605 8.507 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.452 7.851 4.119 1.00 0.00 H new ATOM 776 N SER A 51 4.262 3.914 8.609 1.00 0.00 N ATOM 777 CA SER A 51 4.592 2.518 8.881 1.00 0.00 C ATOM 778 C SER A 51 3.512 1.604 8.305 1.00 0.00 C ATOM 779 O SER A 51 2.328 1.963 8.325 1.00 0.00 O ATOM 780 CB SER A 51 4.704 2.346 10.400 1.00 0.00 C ATOM 781 OG SER A 51 5.450 1.194 10.752 1.00 0.00 O ATOM 0 H SER A 51 3.642 4.336 9.301 1.00 0.00 H new ATOM 0 HA SER A 51 5.538 2.248 8.411 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.176 3.229 10.831 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.705 2.277 10.831 1.00 0.00 H new ATOM 0 HG SER A 51 5.499 1.122 11.728 1.00 0.00 H new ATOM 787 N VAL A 52 3.892 0.408 7.839 1.00 0.00 N ATOM 788 CA VAL A 52 2.939 -0.546 7.272 1.00 0.00 C ATOM 789 C VAL A 52 2.772 -1.746 8.209 1.00 0.00 C ATOM 790 O VAL A 52 3.738 -2.176 8.842 1.00 0.00 O ATOM 791 CB VAL A 52 3.439 -0.936 5.874 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.555 -1.989 5.185 1.00 0.00 C ATOM 793 CG2 VAL A 52 3.546 0.305 4.976 1.00 0.00 C ATOM 0 H VAL A 52 4.858 0.080 7.845 1.00 0.00 H new ATOM 0 HA VAL A 52 1.947 -0.106 7.171 1.00 0.00 H new ATOM 0 HB VAL A 52 4.423 -1.383 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.964 -2.220 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.530 -2.896 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.543 -1.599 5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.902 0.010 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.566 0.773 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.246 1.014 5.417 1.00 0.00 H new ATOM 803 N THR A 53 1.574 -2.322 8.273 1.00 0.00 N ATOM 804 CA THR A 53 1.247 -3.509 9.060 1.00 0.00 C ATOM 805 C THR A 53 0.745 -4.613 8.146 1.00 0.00 C ATOM 806 O THR A 53 -0.197 -4.387 7.385 1.00 0.00 O ATOM 807 CB THR A 53 0.214 -3.154 10.118 1.00 0.00 C ATOM 808 OG1 THR A 53 -0.819 -2.300 9.656 1.00 0.00 O ATOM 809 CG2 THR A 53 0.912 -2.521 11.313 1.00 0.00 C ATOM 0 H THR A 53 0.772 -1.960 7.757 1.00 0.00 H new ATOM 0 HA THR A 53 2.142 -3.872 9.566 1.00 0.00 H new ATOM 0 HB THR A 53 -0.273 -4.088 10.399 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.440 -1.429 9.416 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.173 -2.266 12.073 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.632 -3.226 11.729 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.432 -1.617 10.994 1.00 0.00 H new ATOM 817 N PHE A 54 1.376 -5.783 8.208 1.00 0.00 N ATOM 818 CA PHE A 54 0.929 -6.983 7.521 1.00 0.00 C ATOM 819 C PHE A 54 -0.064 -7.695 8.412 1.00 0.00 C ATOM 820 O PHE A 54 0.184 -7.818 9.611 1.00 0.00 O ATOM 821 CB PHE A 54 2.135 -7.894 7.262 1.00 0.00 C ATOM 822 CG PHE A 54 3.206 -7.332 6.346 1.00 0.00 C ATOM 823 CD1 PHE A 54 2.896 -6.342 5.398 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.515 -7.838 6.398 1.00 0.00 C ATOM 825 CE1 PHE A 54 3.866 -5.894 4.491 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.473 -7.414 5.468 1.00 0.00 C ATOM 827 CZ PHE A 54 5.156 -6.447 4.505 1.00 0.00 C ATOM 0 H PHE A 54 2.229 -5.922 8.749 1.00 0.00 H new ATOM 0 HA PHE A 54 0.463 -6.728 6.569 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.595 -8.137 8.220 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.774 -8.830 6.835 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.901 -5.923 5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.784 -8.557 7.158 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.620 -5.120 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.466 -7.837 5.494 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.894 -6.131 3.783 1.00 0.00 H new ATOM 837 N PHE A 55 -1.170 -8.183 7.845 1.00 0.00 N ATOM 838 CA PHE A 55 -2.153 -8.877 8.644 1.00 0.00 C ATOM 839 C PHE A 55 -1.506 -10.130 9.274 1.00 0.00 C ATOM 840 O PHE A 55 -0.704 -10.783 8.593 1.00 0.00 O ATOM 841 CB PHE A 55 -3.366 -9.232 7.771 1.00 0.00 C ATOM 842 CG PHE A 55 -4.690 -8.717 8.300 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.914 -7.332 8.431 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.718 -9.617 8.637 1.00 0.00 C ATOM 845 CE1 PHE A 55 -6.156 -6.865 8.888 1.00 0.00 C ATOM 846 CE2 PHE A 55 -6.940 -9.143 9.138 1.00 0.00 C ATOM 847 CZ PHE A 55 -7.165 -7.764 9.261 1.00 0.00 C ATOM 0 H PHE A 55 -1.395 -8.107 6.853 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.505 -8.239 9.455 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.208 -8.831 6.770 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.424 -10.316 7.674 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.131 -6.631 8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.566 -10.679 8.509 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.336 -5.802 8.953 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.710 -9.842 9.430 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.108 -7.398 9.640 1.00 0.00 H new ATOM 857 N PRO A 56 -1.992 -10.599 10.437 1.00 0.00 N ATOM 858 CA PRO A 56 -2.833 -9.845 11.351 1.00 0.00 C ATOM 859 C PRO A 56 -2.024 -8.788 12.131 1.00 0.00 C ATOM 860 O PRO A 56 -1.444 -9.053 13.185 1.00 0.00 O ATOM 861 CB PRO A 56 -3.459 -10.900 12.268 1.00 0.00 C ATOM 862 CG PRO A 56 -2.361 -11.962 12.374 1.00 0.00 C ATOM 863 CD PRO A 56 -1.609 -11.868 11.042 1.00 0.00 C ATOM 0 HA PRO A 56 -3.597 -9.270 10.828 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.715 -10.486 13.243 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.376 -11.309 11.845 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.700 -11.767 13.218 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.783 -12.956 12.523 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.532 -11.912 11.201 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.869 -12.702 10.390 1.00 0.00 H new ATOM 871 N ASP A 57 -2.025 -7.571 11.607 1.00 0.00 N ATOM 872 CA ASP A 57 -1.719 -6.299 12.218 1.00 0.00 C ATOM 873 C ASP A 57 -2.374 -5.290 11.269 1.00 0.00 C ATOM 874 O ASP A 57 -2.335 -5.462 10.046 1.00 0.00 O ATOM 875 CB ASP A 57 -0.204 -6.026 12.324 1.00 0.00 C ATOM 876 CG ASP A 57 0.074 -4.868 13.282 1.00 0.00 C ATOM 877 OD1 ASP A 57 -0.857 -4.086 13.556 1.00 0.00 O ATOM 878 OD2 ASP A 57 1.214 -4.747 13.794 1.00 0.00 O ATOM 0 H ASP A 57 -2.271 -7.445 10.625 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.080 -6.251 13.245 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.308 -6.923 12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.198 -5.792 11.338 1.00 0.00 H new ATOM 883 N LEU A 58 -3.015 -4.263 11.809 1.00 0.00 N ATOM 884 CA LEU A 58 -3.688 -3.193 11.096 1.00 0.00 C ATOM 885 C LEU A 58 -3.468 -1.876 11.854 1.00 0.00 C ATOM 886 O LEU A 58 -4.339 -1.008 11.844 1.00 0.00 O ATOM 887 CB LEU A 58 -5.166 -3.569 10.889 1.00 0.00 C ATOM 888 CG LEU A 58 -5.909 -4.101 12.138 1.00 0.00 C ATOM 889 CD1 LEU A 58 -7.398 -3.814 11.992 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.763 -5.625 12.319 1.00 0.00 C ATOM 0 H LEU A 58 -3.081 -4.150 12.821 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.274 -3.048 10.098 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.696 -2.691 10.521 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.222 -4.326 10.107 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.467 -3.600 13.000 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.928 -4.186 12.869 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.554 -2.739 11.903 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.779 -4.311 11.100 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.305 -5.939 13.211 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.172 -6.136 11.447 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.709 -5.879 12.427 1.00 0.00 H new ATOM 902 N ASN A 59 -2.353 -1.721 12.578 1.00 0.00 N ATOM 903 CA ASN A 59 -2.084 -0.598 13.496 1.00 0.00 C ATOM 904 C ASN A 59 -1.031 0.372 12.984 1.00 0.00 C ATOM 905 O ASN A 59 -0.716 1.351 13.656 1.00 0.00 O ATOM 906 CB ASN A 59 -1.683 -1.145 14.881 1.00 0.00 C ATOM 907 CG ASN A 59 -2.831 -1.801 15.622 1.00 0.00 C ATOM 908 OD1 ASN A 59 -2.723 -2.221 16.765 1.00 0.00 O ATOM 909 ND2 ASN A 59 -3.968 -1.949 14.968 1.00 0.00 N ATOM 0 H ASN A 59 -1.586 -2.393 12.543 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.008 -0.025 13.569 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.878 -1.869 14.759 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.288 -0.329 15.486 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.757 -2.414 15.416 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.057 -1.598 14.014 1.00 0.00 H new ATOM 916 N GLY A 60 -0.539 0.121 11.778 1.00 0.00 N ATOM 917 CA GLY A 60 0.361 1.017 11.069 1.00 0.00 C ATOM 918 C GLY A 60 -0.367 2.292 10.705 1.00 0.00 C ATOM 919 O GLY A 60 -1.563 2.444 10.968 1.00 0.00 O ATOM 0 H GLY A 60 -0.759 -0.727 11.256 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.226 1.246 11.692 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.737 0.532 10.168 1.00 0.00 H new ATOM 923 N ASP A 61 0.306 3.164 9.973 1.00 0.00 N ATOM 924 CA ASP A 61 -0.408 4.158 9.194 1.00 0.00 C ATOM 925 C ASP A 61 -1.213 3.423 8.124 1.00 0.00 C ATOM 926 O ASP A 61 -2.424 3.622 7.987 1.00 0.00 O ATOM 927 CB ASP A 61 0.573 5.187 8.630 1.00 0.00 C ATOM 928 CG ASP A 61 0.230 6.542 9.231 1.00 0.00 C ATOM 929 OD1 ASP A 61 -0.609 7.271 8.661 1.00 0.00 O ATOM 930 OD2 ASP A 61 0.755 6.831 10.332 1.00 0.00 O ATOM 0 H ASP A 61 1.323 3.204 9.902 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.107 4.727 9.807 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.598 4.910 8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.504 5.224 7.543 1.00 0.00 H new ATOM 935 N VAL A 62 -0.592 2.440 7.473 1.00 0.00 N ATOM 936 CA VAL A 62 -1.171 1.701 6.357 1.00 0.00 C ATOM 937 C VAL A 62 -1.163 0.214 6.700 1.00 0.00 C ATOM 938 O VAL A 62 -0.316 -0.250 7.455 1.00 0.00 O ATOM 939 CB VAL A 62 -0.385 2.045 5.070 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.967 1.383 3.812 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.324 3.560 4.832 1.00 0.00 C ATOM 0 H VAL A 62 0.349 2.130 7.714 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.209 1.981 6.177 1.00 0.00 H new ATOM 0 HB VAL A 62 0.617 1.650 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.371 1.664 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.949 0.300 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.995 1.715 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.236 3.763 3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.336 3.954 4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.171 4.041 5.676 1.00 0.00 H new ATOM 951 N VAL A 63 -2.127 -0.538 6.181 1.00 0.00 N ATOM 952 CA VAL A 63 -2.227 -1.981 6.321 1.00 0.00 C ATOM 953 C VAL A 63 -1.923 -2.698 5.008 1.00 0.00 C ATOM 954 O VAL A 63 -1.849 -2.057 3.965 1.00 0.00 O ATOM 955 CB VAL A 63 -3.527 -2.323 7.082 1.00 0.00 C ATOM 956 CG1 VAL A 63 -4.717 -1.353 7.086 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.939 -3.799 7.123 1.00 0.00 C ATOM 0 H VAL A 63 -2.888 -0.141 5.630 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.443 -2.394 6.955 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.101 -2.092 8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.530 -1.777 7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.410 -0.402 7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.057 -1.190 6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.866 -3.902 7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.089 -4.163 6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.155 -4.382 7.605 1.00 0.00 H new ATOM 967 N ALA A 64 -1.700 -4.013 5.055 1.00 0.00 N ATOM 968 CA ALA A 64 -1.578 -4.898 3.914 1.00 0.00 C ATOM 969 C ALA A 64 -2.426 -6.130 4.164 1.00 0.00 C ATOM 970 O ALA A 64 -2.626 -6.540 5.309 1.00 0.00 O ATOM 971 CB ALA A 64 -0.128 -5.330 3.694 1.00 0.00 C ATOM 0 H ALA A 64 -1.595 -4.507 5.941 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.914 -4.365 3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.073 -5.993 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.491 -4.450 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.233 -5.855 4.578 1.00 0.00 H new ATOM 977 N ILE A 65 -2.875 -6.738 3.076 1.00 0.00 N ATOM 978 CA ILE A 65 -3.620 -7.973 3.057 1.00 0.00 C ATOM 979 C ILE A 65 -2.904 -8.872 2.041 1.00 0.00 C ATOM 980 O ILE A 65 -2.197 -8.415 1.134 1.00 0.00 O ATOM 981 CB ILE A 65 -5.115 -7.682 2.748 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.763 -6.757 3.812 1.00 0.00 C ATOM 983 CG2 ILE A 65 -5.983 -8.946 2.602 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.973 -7.388 5.195 1.00 0.00 C ATOM 0 H ILE A 65 -2.719 -6.360 2.142 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.644 -8.490 4.016 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.092 -7.178 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.138 -5.871 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.729 -6.420 3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.012 -8.658 2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.600 -9.558 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.952 -9.518 3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.431 -6.658 5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.626 -8.256 5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.011 -7.699 5.603 1.00 0.00 H new ATOM 996 N ASP A 66 -3.054 -10.170 2.244 1.00 0.00 N ATOM 997 CA ASP A 66 -2.631 -11.224 1.344 1.00 0.00 C ATOM 998 C ASP A 66 -3.374 -11.064 0.010 1.00 0.00 C ATOM 999 O ASP A 66 -4.603 -10.937 -0.023 1.00 0.00 O ATOM 1000 CB ASP A 66 -2.942 -12.557 2.036 1.00 0.00 C ATOM 1001 CG ASP A 66 -2.649 -13.814 1.211 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -2.317 -13.737 0.002 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -2.736 -14.899 1.831 1.00 0.00 O ATOM 0 H ASP A 66 -3.498 -10.534 3.087 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.565 -11.183 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.367 -12.609 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.996 -12.564 2.315 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.626 -11.108 -1.097 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.110 -11.110 -2.475 1.00 0.00 C ATOM 1010 C TYR A 67 -4.313 -12.037 -2.715 1.00 0.00 C ATOM 1011 O TYR A 67 -5.070 -11.782 -3.653 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.927 -11.452 -3.403 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.281 -11.637 -4.871 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.785 -12.866 -5.346 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.111 -10.568 -5.766 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -3.124 -13.023 -6.705 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.454 -10.717 -7.121 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.966 -11.940 -7.598 1.00 0.00 C ATOM 1019 OH TYR A 67 -3.306 -12.041 -8.911 1.00 0.00 O ATOM 0 H TYR A 67 -1.608 -11.145 -1.049 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.492 -10.114 -2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.184 -10.659 -3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.457 -12.367 -3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.912 -13.693 -4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.715 -9.628 -5.412 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.504 -13.969 -7.063 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.324 -9.888 -7.801 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.125 -11.190 -9.362 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.560 -13.061 -1.889 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.749 -13.910 -1.985 1.00 0.00 C ATOM 1031 C ARG A 68 -7.073 -13.134 -2.054 1.00 0.00 C ATOM 1032 O ARG A 68 -8.035 -13.653 -2.624 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.745 -14.919 -0.825 1.00 0.00 C ATOM 1034 CG ARG A 68 -6.190 -14.351 0.531 1.00 0.00 C ATOM 1035 CD ARG A 68 -6.073 -15.436 1.602 1.00 0.00 C ATOM 1036 NE ARG A 68 -6.554 -14.948 2.904 1.00 0.00 N ATOM 1037 CZ ARG A 68 -5.831 -14.648 3.988 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -4.505 -14.735 4.015 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -6.467 -14.239 5.071 1.00 0.00 N ATOM 0 H ARG A 68 -3.933 -13.324 -1.129 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.691 -14.437 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.399 -15.752 -1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.739 -15.325 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.573 -13.493 0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.219 -13.996 0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.650 -16.311 1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.034 -15.754 1.690 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.563 -14.823 2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.997 -15.041 3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.995 -14.495 4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.484 -14.159 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.941 -14.003 5.913 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.168 -11.929 -1.482 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.393 -11.125 -1.517 1.00 0.00 C ATOM 1055 C HIS A 69 -8.410 -10.109 -2.672 1.00 0.00 C ATOM 1056 O HIS A 69 -9.424 -9.429 -2.846 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.633 -10.459 -0.145 1.00 0.00 C ATOM 1058 CG HIS A 69 -9.473 -11.254 0.841 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -10.135 -12.448 0.619 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.818 -10.834 2.100 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -10.850 -12.739 1.717 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -10.675 -11.791 2.658 1.00 0.00 N ATOM 0 H HIS A 69 -6.398 -11.484 -0.982 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.225 -11.800 -1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.665 -10.256 0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.116 -9.496 -0.310 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -10.088 -13.010 -0.231 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.487 -9.924 2.578 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -11.477 -13.611 1.830 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.340 -9.989 -3.467 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.270 -9.042 -4.575 1.00 0.00 C ATOM 1072 C TYR A 70 -8.099 -9.544 -5.759 1.00 0.00 C ATOM 1073 O TYR A 70 -7.589 -10.187 -6.680 1.00 0.00 O ATOM 1074 CB TYR A 70 -5.815 -8.767 -4.978 1.00 0.00 C ATOM 1075 CG TYR A 70 -5.610 -7.797 -6.136 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -6.581 -6.849 -6.525 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.421 -7.895 -6.872 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -6.375 -6.043 -7.658 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.221 -7.133 -8.031 1.00 0.00 C ATOM 1080 CZ TYR A 70 -5.206 -6.206 -8.434 1.00 0.00 C ATOM 1081 OH TYR A 70 -5.030 -5.495 -9.580 1.00 0.00 O ATOM 0 H TYR A 70 -6.496 -10.551 -3.355 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.696 -8.094 -4.246 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.286 -8.379 -4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.346 -9.716 -5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.488 -6.742 -5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.646 -8.569 -6.540 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.109 -5.301 -7.935 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.319 -7.254 -8.612 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.169 -5.733 -9.984 1.00 0.00 H new ATOM 1091 N SER A 71 -9.383 -9.204 -5.749 1.00 0.00 N ATOM 1092 CA SER A 71 -10.300 -9.401 -6.861 1.00 0.00 C ATOM 1093 C SER A 71 -10.482 -8.098 -7.646 1.00 0.00 C ATOM 1094 O SER A 71 -10.112 -7.018 -7.177 1.00 0.00 O ATOM 1095 CB SER A 71 -11.621 -9.977 -6.334 1.00 0.00 C ATOM 1096 OG SER A 71 -12.004 -11.074 -7.141 1.00 0.00 O ATOM 0 H SER A 71 -9.827 -8.770 -4.940 1.00 0.00 H new ATOM 0 HA SER A 71 -9.887 -10.123 -7.565 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.505 -10.295 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.397 -9.211 -6.348 1.00 0.00 H new ATOM 0 HG SER A 71 -12.847 -11.447 -6.808 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.080 -8.183 -8.837 1.00 0.00 N ATOM 1103 CA ALA A 72 -11.174 -7.071 -9.781 1.00 0.00 C ATOM 1104 C ALA A 72 -12.002 -5.888 -9.283 1.00 0.00 C ATOM 1105 O ALA A 72 -11.892 -4.808 -9.857 1.00 0.00 O ATOM 1106 CB ALA A 72 -11.737 -7.575 -11.108 1.00 0.00 C ATOM 0 H ALA A 72 -11.518 -9.039 -9.176 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.160 -6.692 -9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.807 -6.746 -11.812 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.078 -8.342 -11.515 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.728 -7.998 -10.945 1.00 0.00 H new ATOM 1112 N SER A 73 -12.793 -6.023 -8.221 1.00 0.00 N ATOM 1113 CA SER A 73 -13.441 -4.872 -7.599 1.00 0.00 C ATOM 1114 C SER A 73 -12.391 -3.899 -7.049 1.00 0.00 C ATOM 1115 O SER A 73 -12.524 -2.685 -7.172 1.00 0.00 O ATOM 1116 CB SER A 73 -14.387 -5.348 -6.497 1.00 0.00 C ATOM 1117 OG SER A 73 -14.993 -6.573 -6.882 1.00 0.00 O ATOM 0 H SER A 73 -13.000 -6.916 -7.774 1.00 0.00 H new ATOM 0 HA SER A 73 -14.025 -4.338 -8.349 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.838 -5.480 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.153 -4.595 -6.312 1.00 0.00 H new ATOM 0 HG SER A 73 -15.597 -6.876 -6.173 1.00 0.00 H new ATOM 1123 N PHE A 74 -11.302 -4.435 -6.499 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.248 -3.720 -5.791 1.00 0.00 C ATOM 1125 C PHE A 74 -9.192 -3.150 -6.760 1.00 0.00 C ATOM 1126 O PHE A 74 -8.064 -2.842 -6.372 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.704 -4.691 -4.732 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.745 -5.326 -3.797 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.432 -4.597 -2.803 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -11.046 -6.689 -3.935 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.358 -5.225 -1.944 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.995 -7.313 -3.108 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.647 -6.585 -2.105 1.00 0.00 C ATOM 0 H PHE A 74 -11.124 -5.439 -6.540 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.622 -2.828 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.169 -5.491 -5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.974 -4.159 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.245 -3.538 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.539 -7.270 -4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.843 -4.658 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.223 -8.360 -3.247 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.367 -7.069 -1.461 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.540 -2.990 -8.042 1.00 0.00 N ATOM 1144 CA LYS A 75 -8.661 -2.653 -9.153 1.00 0.00 C ATOM 1145 C LYS A 75 -7.991 -1.291 -8.968 1.00 0.00 C ATOM 1146 O LYS A 75 -6.848 -1.116 -9.395 1.00 0.00 O ATOM 1147 CB LYS A 75 -9.515 -2.772 -10.442 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.511 -1.606 -11.436 1.00 0.00 C ATOM 1149 CD LYS A 75 -8.258 -1.639 -12.295 1.00 0.00 C ATOM 1150 CE LYS A 75 -7.833 -0.248 -12.732 1.00 0.00 C ATOM 1151 NZ LYS A 75 -6.585 -0.309 -13.526 1.00 0.00 N ATOM 0 H LYS A 75 -10.508 -3.101 -8.344 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.817 -3.340 -9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.185 -3.663 -10.976 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.548 -2.945 -10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.395 -1.660 -12.071 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.563 -0.661 -10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.447 -2.107 -11.737 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.437 -2.257 -13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.625 0.211 -13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.683 0.384 -11.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.310 0.651 -13.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.827 -0.727 -12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.740 -0.895 -14.371 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.690 -0.311 -8.393 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.187 1.052 -8.218 1.00 0.00 C ATOM 1167 C LYS A 76 -7.589 1.254 -6.821 1.00 0.00 C ATOM 1168 O LYS A 76 -7.232 2.378 -6.477 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.291 2.069 -8.546 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.790 1.901 -9.989 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.412 3.178 -10.547 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.956 2.943 -11.962 1.00 0.00 C ATOM 1173 NZ LYS A 76 -12.346 2.440 -11.969 1.00 0.00 N ATOM 0 H LYS A 76 -9.634 -0.444 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.370 1.219 -8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.123 1.942 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.911 3.081 -8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.958 1.599 -10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.526 1.098 -10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.218 3.512 -9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.667 3.973 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.910 3.877 -12.523 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.314 2.229 -12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.660 2.300 -12.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.390 1.535 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.968 3.131 -11.502 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.473 0.184 -6.030 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.069 0.208 -4.636 1.00 0.00 C ATOM 1189 C GLY A 77 -8.177 -0.356 -3.751 1.00 0.00 C ATOM 1190 O GLY A 77 -9.315 -0.552 -4.205 1.00 0.00 O ATOM 0 H GLY A 77 -7.668 -0.759 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.158 -0.375 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.839 1.230 -4.335 1.00 0.00 H new ATOM 1194 N ALA A 78 -7.882 -0.608 -2.478 1.00 0.00 N ATOM 1195 CA ALA A 78 -8.865 -1.048 -1.506 1.00 0.00 C ATOM 1196 C ALA A 78 -8.493 -0.580 -0.105 1.00 0.00 C ATOM 1197 O ALA A 78 -7.401 -0.059 0.141 1.00 0.00 O ATOM 1198 CB ALA A 78 -8.997 -2.567 -1.575 1.00 0.00 C ATOM 0 H ALA A 78 -6.942 -0.510 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.831 -0.603 -1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.735 -2.902 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.317 -2.859 -2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.034 -3.026 -1.353 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.431 -0.762 0.812 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.318 -0.398 2.206 1.00 0.00 C ATOM 1206 C LYS A 79 -9.985 -1.493 3.037 1.00 0.00 C ATOM 1207 O LYS A 79 -10.874 -2.209 2.569 1.00 0.00 O ATOM 1208 CB LYS A 79 -9.942 0.995 2.435 1.00 0.00 C ATOM 1209 CG LYS A 79 -11.331 1.165 1.797 1.00 0.00 C ATOM 1210 CD LYS A 79 -12.145 2.245 2.506 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.602 2.263 2.033 1.00 0.00 C ATOM 1212 NZ LYS A 79 -14.483 2.968 2.987 1.00 0.00 N ATOM 0 H LYS A 79 -10.331 -1.187 0.589 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.275 -0.323 2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.020 1.176 3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.272 1.754 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.220 1.424 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.869 0.218 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.115 2.075 3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.692 3.220 2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.661 2.747 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.954 1.240 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.460 2.958 2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.447 2.491 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.163 3.952 3.093 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.507 -1.627 4.265 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.155 -2.305 5.363 1.00 0.00 C ATOM 1228 C LEU A 80 -11.146 -1.302 5.971 1.00 0.00 C ATOM 1229 O LEU A 80 -11.251 -0.165 5.507 1.00 0.00 O ATOM 1230 CB LEU A 80 -9.067 -2.716 6.383 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.397 -3.990 7.171 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -9.174 -5.235 6.314 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -8.516 -4.087 8.418 1.00 0.00 C ATOM 0 H LEU A 80 -8.602 -1.240 4.531 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.687 -3.205 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.125 -2.862 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.914 -1.896 7.085 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.446 -3.937 7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.415 -6.125 6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.817 -5.191 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.131 -5.278 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.762 -4.996 8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.467 -4.114 8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.690 -3.220 9.055 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.785 -1.710 7.065 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.835 -1.049 7.842 1.00 0.00 C ATOM 1247 C LEU A 81 -12.832 0.464 7.702 1.00 0.00 C ATOM 1248 O LEU A 81 -13.821 1.067 7.295 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.661 -1.429 9.316 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.909 -1.091 10.161 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -14.515 -2.357 10.769 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -13.602 -0.072 11.261 1.00 0.00 C ATOM 0 H LEU A 81 -11.554 -2.614 7.476 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.794 -1.390 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.452 -2.496 9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.796 -0.906 9.724 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.636 -0.639 9.486 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.392 -2.093 11.359 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.807 -3.040 9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.778 -2.841 11.410 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.509 0.135 11.829 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.840 -0.475 11.928 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.238 0.851 10.810 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.719 1.078 8.075 1.00 0.00 N ATOM 1265 CA HIS A 82 -11.511 2.521 7.966 1.00 0.00 C ATOM 1266 C HIS A 82 -10.103 2.890 7.485 1.00 0.00 C ATOM 1267 O HIS A 82 -9.644 3.998 7.758 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.853 3.188 9.308 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.878 2.919 10.426 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -10.157 3.866 11.117 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -10.594 1.701 10.975 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -9.449 3.226 12.060 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -9.703 1.905 12.029 1.00 0.00 N ATOM 0 H HIS A 82 -10.919 0.582 8.469 1.00 0.00 H new ATOM 0 HA HIS A 82 -12.183 2.900 7.196 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.916 4.265 9.154 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.842 2.852 9.621 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.989 0.749 10.651 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.769 3.705 12.749 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.320 1.194 12.652 1.00 0.00 H new ATOM 1281 N LYS A 83 -9.364 1.970 6.854 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.917 2.086 6.698 1.00 0.00 C ATOM 1283 C LYS A 83 -7.442 1.626 5.325 1.00 0.00 C ATOM 1284 O LYS A 83 -7.964 0.633 4.825 1.00 0.00 O ATOM 1285 CB LYS A 83 -7.262 1.222 7.775 1.00 0.00 C ATOM 1286 CG LYS A 83 -7.055 2.012 9.077 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.572 2.301 9.278 1.00 0.00 C ATOM 1288 CE LYS A 83 -4.804 1.043 9.665 1.00 0.00 C ATOM 1289 NZ LYS A 83 -3.358 1.223 9.465 1.00 0.00 N ATOM 0 H LYS A 83 -9.757 1.125 6.438 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.639 3.135 6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.884 0.349 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.302 0.854 7.414 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.615 2.947 9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.442 1.444 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.154 2.716 8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.450 3.056 10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.002 0.799 10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.155 0.201 9.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.954 0.357 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.194 2.021 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.903 1.419 10.379 1.00 0.00 H new ATOM 1303 N PRO A 84 -6.395 2.246 4.764 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.828 1.856 3.487 1.00 0.00 C ATOM 1305 C PRO A 84 -5.140 0.511 3.661 1.00 0.00 C ATOM 1306 O PRO A 84 -4.312 0.369 4.562 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.814 2.949 3.150 1.00 0.00 C ATOM 1308 CG PRO A 84 -4.363 3.475 4.508 1.00 0.00 C ATOM 1309 CD PRO A 84 -5.539 3.209 5.435 1.00 0.00 C ATOM 0 HA PRO A 84 -6.570 1.754 2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.975 2.551 2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.265 3.738 2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.464 2.964 4.852 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.127 4.538 4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.195 2.819 6.393 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.083 4.130 5.643 1.00 0.00 H new ATOM 1317 N ILE A 85 -5.435 -0.447 2.787 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.723 -1.726 2.744 1.00 0.00 C ATOM 1319 C ILE A 85 -3.895 -1.765 1.447 1.00 0.00 C ATOM 1320 O ILE A 85 -4.078 -0.922 0.557 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.676 -2.933 2.874 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.630 -3.084 1.663 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.374 -2.902 4.221 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -6.360 -4.367 0.869 1.00 0.00 C ATOM 0 H ILE A 85 -6.173 -0.361 2.088 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.056 -1.804 3.603 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.082 -3.847 2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.662 -3.086 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.519 -2.222 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.044 -3.758 4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.631 -2.946 5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.949 -1.981 4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.053 -4.429 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.337 -4.354 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.498 -5.232 1.518 1.00 0.00 H new ATOM 1336 N VAL A 86 -3.033 -2.765 1.301 1.00 0.00 N ATOM 1337 CA VAL A 86 -2.197 -3.020 0.128 1.00 0.00 C ATOM 1338 C VAL A 86 -2.108 -4.529 -0.091 1.00 0.00 C ATOM 1339 O VAL A 86 -2.689 -5.294 0.678 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.799 -2.373 0.279 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.903 -0.888 0.604 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.098 -3.020 1.338 1.00 0.00 C ATOM 0 H VAL A 86 -2.889 -3.458 2.036 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.650 -2.560 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.334 -2.535 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.097 -0.466 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.435 -0.376 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.446 -0.758 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.055 -2.500 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.385 -2.954 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.263 -4.067 1.085 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.352 -4.957 -1.101 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.189 -6.356 -1.455 1.00 0.00 C ATOM 1354 C TRP A 87 0.285 -6.701 -1.332 1.00 0.00 C ATOM 1355 O TRP A 87 1.105 -6.147 -2.073 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.717 -6.592 -2.870 1.00 0.00 C ATOM 1357 CG TRP A 87 -3.100 -6.074 -3.094 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.425 -5.015 -3.868 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.346 -6.526 -2.486 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.789 -4.815 -3.833 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.409 -5.731 -3.007 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.686 -7.532 -1.556 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.746 -5.963 -2.659 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.028 -7.773 -1.209 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.061 -7.006 -1.776 1.00 0.00 C ATOM 0 H TRP A 87 -0.827 -4.324 -1.705 1.00 0.00 H new ATOM 0 HA TRP A 87 -1.759 -7.002 -0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.042 -6.118 -3.583 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.702 -7.662 -3.079 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.723 -4.416 -4.429 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -5.277 -4.084 -4.351 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.905 -8.125 -1.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.529 -5.342 -3.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.267 -8.553 -0.501 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.092 -7.219 -1.533 1.00 0.00 H new ATOM 1376 N HIS A 88 0.608 -7.591 -0.398 1.00 0.00 N ATOM 1377 CA HIS A 88 1.927 -8.187 -0.254 1.00 0.00 C ATOM 1378 C HIS A 88 1.822 -9.655 -0.651 1.00 0.00 C ATOM 1379 O HIS A 88 0.775 -10.297 -0.499 1.00 0.00 O ATOM 1380 CB HIS A 88 2.515 -7.928 1.152 1.00 0.00 C ATOM 1381 CG HIS A 88 2.038 -8.779 2.305 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.833 -9.628 3.042 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.823 -8.709 2.937 1.00 0.00 C ATOM 1384 CE1 HIS A 88 2.093 -10.102 4.052 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.857 -9.578 4.031 1.00 0.00 N ATOM 0 H HIS A 88 -0.060 -7.925 0.297 1.00 0.00 H new ATOM 0 HA HIS A 88 2.650 -7.719 -0.922 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.597 -8.040 1.084 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.318 -6.886 1.406 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.012 -8.092 2.642 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.444 -10.812 4.786 1.00 0.00 H new ATOM 0 HE2 HIS A 88 0.097 -9.774 4.682 1.00 0.00 H new ATOM 1393 N ILE A 89 2.918 -10.179 -1.189 1.00 0.00 N ATOM 1394 CA ILE A 89 3.109 -11.584 -1.488 1.00 0.00 C ATOM 1395 C ILE A 89 4.379 -11.913 -0.742 1.00 0.00 C ATOM 1396 O ILE A 89 5.454 -11.587 -1.226 1.00 0.00 O ATOM 1397 CB ILE A 89 3.208 -11.826 -3.015 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.817 -11.679 -3.665 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.801 -13.205 -3.370 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.897 -11.578 -5.190 1.00 0.00 C ATOM 0 H ILE A 89 3.727 -9.609 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 89 2.280 -12.222 -1.183 1.00 0.00 H new ATOM 0 HB ILE A 89 3.890 -11.072 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.198 -12.534 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.325 -10.790 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.844 -13.314 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.806 -13.286 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.172 -13.990 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.893 -11.476 -5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.492 -10.708 -5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.363 -12.478 -5.590 1.00 0.00 H new ATOM 1412 N ASN A 90 4.278 -12.562 0.422 1.00 0.00 N ATOM 1413 CA ASN A 90 5.455 -13.142 1.093 1.00 0.00 C ATOM 1414 C ASN A 90 6.461 -12.031 1.391 1.00 0.00 C ATOM 1415 O ASN A 90 7.678 -12.187 1.241 1.00 0.00 O ATOM 1416 CB ASN A 90 6.060 -14.307 0.279 1.00 0.00 C ATOM 1417 CG ASN A 90 5.051 -15.405 0.032 1.00 0.00 C ATOM 1418 OD1 ASN A 90 5.108 -16.508 0.559 1.00 0.00 O ATOM 1419 ND2 ASN A 90 4.064 -15.063 -0.765 1.00 0.00 N ATOM 0 H ASN A 90 3.399 -12.701 0.921 1.00 0.00 H new ATOM 0 HA ASN A 90 5.152 -13.584 2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.428 -13.930 -0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.918 -14.716 0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.314 -15.726 -0.961 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.048 -14.135 -1.188 1.00 0.00 H new ATOM 1426 N GLN A 91 5.890 -10.887 1.791 1.00 0.00 N ATOM 1427 CA GLN A 91 6.544 -9.636 2.135 1.00 0.00 C ATOM 1428 C GLN A 91 7.256 -9.013 0.928 1.00 0.00 C ATOM 1429 O GLN A 91 8.050 -8.098 1.112 1.00 0.00 O ATOM 1430 CB GLN A 91 7.411 -9.801 3.404 1.00 0.00 C ATOM 1431 CG GLN A 91 6.612 -10.331 4.612 1.00 0.00 C ATOM 1432 CD GLN A 91 6.212 -11.779 4.501 1.00 0.00 C ATOM 1433 OE1 GLN A 91 7.023 -12.688 4.362 1.00 0.00 O ATOM 1434 NE2 GLN A 91 4.918 -12.001 4.472 1.00 0.00 N ATOM 0 H GLN A 91 4.877 -10.816 1.887 1.00 0.00 H new ATOM 0 HA GLN A 91 5.788 -8.898 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.233 -10.485 3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.855 -8.840 3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.209 -10.199 5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.714 -9.726 4.733 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.265 -11.226 4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.566 -12.948 4.331 1.00 0.00 H new ATOM 1443 N ALA A 92 6.943 -9.445 -0.300 1.00 0.00 N ATOM 1444 CA ALA A 92 7.505 -8.861 -1.509 1.00 0.00 C ATOM 1445 C ALA A 92 6.398 -8.161 -2.291 1.00 0.00 C ATOM 1446 O ALA A 92 5.233 -8.581 -2.273 1.00 0.00 O ATOM 1447 CB ALA A 92 8.192 -9.945 -2.348 1.00 0.00 C ATOM 0 H ALA A 92 6.292 -10.210 -0.476 1.00 0.00 H new ATOM 0 HA ALA A 92 8.261 -8.121 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.609 -9.497 -3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.993 -10.402 -1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.464 -10.707 -2.625 1.00 0.00 H new ATOM 1453 N THR A 93 6.776 -7.105 -3.010 1.00 0.00 N ATOM 1454 CA THR A 93 6.064 -6.679 -4.197 1.00 0.00 C ATOM 1455 C THR A 93 6.773 -7.403 -5.350 1.00 0.00 C ATOM 1456 O THR A 93 7.959 -7.739 -5.272 1.00 0.00 O ATOM 1457 CB THR A 93 5.968 -5.136 -4.282 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.239 -4.764 -5.430 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.308 -4.387 -4.272 1.00 0.00 C ATOM 0 H THR A 93 7.584 -6.527 -2.780 1.00 0.00 H new ATOM 0 HA THR A 93 5.009 -6.952 -4.213 1.00 0.00 H new ATOM 0 HB THR A 93 5.459 -4.838 -3.365 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.180 -3.787 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.126 -3.314 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.843 -4.610 -3.349 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.908 -4.704 -5.125 1.00 0.00 H new ATOM 1467 N THR A 94 6.016 -7.749 -6.379 1.00 0.00 N ATOM 1468 CA THR A 94 6.437 -8.520 -7.541 1.00 0.00 C ATOM 1469 C THR A 94 5.731 -7.894 -8.738 1.00 0.00 C ATOM 1470 O THR A 94 4.818 -7.088 -8.530 1.00 0.00 O ATOM 1471 CB THR A 94 6.037 -9.999 -7.359 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.631 -10.130 -7.224 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.691 -10.680 -6.152 1.00 0.00 C ATOM 0 H THR A 94 5.032 -7.484 -6.430 1.00 0.00 H new ATOM 0 HA THR A 94 7.518 -8.500 -7.680 1.00 0.00 H new ATOM 0 HB THR A 94 6.396 -10.496 -8.260 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.284 -9.392 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.358 -11.716 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.775 -10.652 -6.262 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.405 -10.156 -5.240 1.00 0.00 H new ATOM 1481 N LYS A 95 6.036 -8.287 -9.982 1.00 0.00 N ATOM 1482 CA LYS A 95 5.401 -7.613 -11.118 1.00 0.00 C ATOM 1483 C LYS A 95 3.875 -7.702 -11.078 1.00 0.00 C ATOM 1484 O LYS A 95 3.211 -6.772 -11.535 1.00 0.00 O ATOM 1485 CB LYS A 95 6.006 -8.041 -12.469 1.00 0.00 C ATOM 1486 CG LYS A 95 6.571 -6.786 -13.153 1.00 0.00 C ATOM 1487 CD LYS A 95 7.234 -7.074 -14.501 1.00 0.00 C ATOM 1488 CE LYS A 95 7.943 -5.796 -14.973 1.00 0.00 C ATOM 1489 NZ LYS A 95 8.892 -6.057 -16.072 1.00 0.00 N ATOM 0 H LYS A 95 6.688 -9.034 -10.220 1.00 0.00 H new ATOM 0 HA LYS A 95 5.630 -6.552 -11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.793 -8.780 -12.318 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.247 -8.508 -13.096 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.765 -6.067 -13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.299 -6.318 -12.491 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.949 -7.891 -14.406 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.488 -7.386 -15.232 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.199 -5.071 -15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.476 -5.348 -14.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.346 -5.166 -16.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.618 -6.729 -15.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.381 -6.460 -16.883 1.00 0.00 H new ATOM 1503 N THR A 96 3.302 -8.739 -10.464 1.00 0.00 N ATOM 1504 CA THR A 96 1.875 -8.807 -10.200 1.00 0.00 C ATOM 1505 C THR A 96 1.418 -7.694 -9.248 1.00 0.00 C ATOM 1506 O THR A 96 0.463 -6.985 -9.575 1.00 0.00 O ATOM 1507 CB THR A 96 1.538 -10.206 -9.664 1.00 0.00 C ATOM 1508 OG1 THR A 96 1.964 -11.169 -10.606 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.040 -10.392 -9.439 1.00 0.00 C ATOM 0 H THR A 96 3.821 -9.554 -10.138 1.00 0.00 H new ATOM 0 HA THR A 96 1.327 -8.643 -11.128 1.00 0.00 H new ATOM 0 HB THR A 96 2.046 -10.325 -8.707 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.755 -12.067 -10.273 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.149 -11.396 -9.060 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.313 -9.658 -8.714 1.00 0.00 H new ATOM 0 HG23 THR A 96 -0.489 -10.255 -10.382 1.00 0.00 H new ATOM 1517 N THR A 97 2.048 -7.540 -8.080 1.00 0.00 N ATOM 1518 CA THR A 97 1.580 -6.672 -6.999 1.00 0.00 C ATOM 1519 C THR A 97 2.084 -5.230 -7.157 1.00 0.00 C ATOM 1520 O THR A 97 1.527 -4.320 -6.553 1.00 0.00 O ATOM 1521 CB THR A 97 1.924 -7.300 -5.626 1.00 0.00 C ATOM 1522 OG1 THR A 97 3.161 -8.000 -5.642 1.00 0.00 O ATOM 1523 CG2 THR A 97 0.850 -8.317 -5.241 1.00 0.00 C ATOM 0 H THR A 97 2.916 -8.026 -7.856 1.00 0.00 H new ATOM 0 HA THR A 97 0.494 -6.597 -7.055 1.00 0.00 H new ATOM 0 HB THR A 97 1.984 -6.474 -4.917 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.335 -8.377 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.095 -8.757 -4.274 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.117 -7.818 -5.178 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.805 -9.102 -5.996 1.00 0.00 H new ATOM 1531 N PHE A 98 3.027 -4.984 -8.058 1.00 0.00 N ATOM 1532 CA PHE A 98 3.642 -3.702 -8.370 1.00 0.00 C ATOM 1533 C PHE A 98 2.594 -2.724 -8.902 1.00 0.00 C ATOM 1534 O PHE A 98 2.347 -1.690 -8.286 1.00 0.00 O ATOM 1535 CB PHE A 98 4.800 -3.966 -9.343 1.00 0.00 C ATOM 1536 CG PHE A 98 5.095 -2.893 -10.365 1.00 0.00 C ATOM 1537 CD1 PHE A 98 5.762 -1.714 -9.994 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.736 -3.108 -11.708 1.00 0.00 C ATOM 1539 CE1 PHE A 98 6.120 -0.773 -10.975 1.00 0.00 C ATOM 1540 CE2 PHE A 98 5.084 -2.164 -12.688 1.00 0.00 C ATOM 1541 CZ PHE A 98 5.796 -1.007 -12.323 1.00 0.00 C ATOM 0 H PHE A 98 3.410 -5.734 -8.633 1.00 0.00 H new ATOM 0 HA PHE A 98 4.052 -3.223 -7.481 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.704 -4.133 -8.757 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.590 -4.893 -9.876 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.000 -1.531 -8.957 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.193 -3.999 -11.986 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.643 0.129 -10.694 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.806 -2.326 -13.719 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.094 -0.297 -13.080 1.00 0.00 H new ATOM 1551 N LYS A 99 1.926 -3.048 -10.015 1.00 0.00 N ATOM 1552 CA LYS A 99 0.902 -2.173 -10.591 1.00 0.00 C ATOM 1553 C LYS A 99 -0.192 -1.793 -9.584 1.00 0.00 C ATOM 1554 O LYS A 99 -0.545 -0.611 -9.581 1.00 0.00 O ATOM 1555 CB LYS A 99 0.240 -2.808 -11.809 1.00 0.00 C ATOM 1556 CG LYS A 99 1.009 -2.594 -13.121 1.00 0.00 C ATOM 1557 CD LYS A 99 0.166 -3.092 -14.307 1.00 0.00 C ATOM 1558 CE LYS A 99 0.943 -3.183 -15.626 1.00 0.00 C ATOM 1559 NZ LYS A 99 1.182 -1.876 -16.270 1.00 0.00 N ATOM 0 H LYS A 99 2.078 -3.912 -10.535 1.00 0.00 H new ATOM 0 HA LYS A 99 1.432 -1.267 -10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.132 -3.878 -11.634 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.765 -2.399 -11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.243 -1.537 -13.248 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.958 -3.129 -13.088 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.238 -4.075 -14.066 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.684 -2.423 -14.443 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.902 -3.666 -15.439 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.394 -3.823 -16.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.711 -2.016 -17.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.271 -1.421 -16.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.733 -1.269 -15.630 1.00 0.00 H new ATOM 1573 N PRO A 100 -0.781 -2.703 -8.782 1.00 0.00 N ATOM 1574 CA PRO A 100 -1.797 -2.297 -7.818 1.00 0.00 C ATOM 1575 C PRO A 100 -1.175 -1.535 -6.646 1.00 0.00 C ATOM 1576 O PRO A 100 -1.841 -0.656 -6.107 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.526 -3.575 -7.404 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.481 -4.663 -7.609 1.00 0.00 C ATOM 1579 CD PRO A 100 -0.682 -4.159 -8.816 1.00 0.00 C ATOM 0 HA PRO A 100 -2.511 -1.594 -8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -2.859 -3.529 -6.367 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.411 -3.748 -8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.848 -4.784 -6.730 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.941 -5.631 -7.807 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.358 -4.481 -8.758 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.088 -4.556 -9.746 1.00 0.00 H new ATOM 1587 N ASN A 101 0.089 -1.793 -6.283 1.00 0.00 N ATOM 1588 CA ASN A 101 0.760 -1.100 -5.192 1.00 0.00 C ATOM 1589 C ASN A 101 0.876 0.397 -5.532 1.00 0.00 C ATOM 1590 O ASN A 101 0.753 1.230 -4.637 1.00 0.00 O ATOM 1591 CB ASN A 101 2.149 -1.740 -4.942 1.00 0.00 C ATOM 1592 CG ASN A 101 2.232 -2.840 -3.874 1.00 0.00 C ATOM 1593 OD1 ASN A 101 3.162 -2.923 -3.088 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.322 -3.785 -3.855 1.00 0.00 N ATOM 0 H ASN A 101 0.671 -2.492 -6.744 1.00 0.00 H new ATOM 0 HA ASN A 101 0.180 -1.195 -4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.504 -2.157 -5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.842 -0.946 -4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.405 -4.559 -3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 101 0.532 -3.745 -4.499 1.00 0.00 H new ATOM 1601 N THR A 102 1.031 0.784 -6.812 1.00 0.00 N ATOM 1602 CA THR A 102 1.104 2.207 -7.169 1.00 0.00 C ATOM 1603 C THR A 102 -0.117 2.975 -6.657 1.00 0.00 C ATOM 1604 O THR A 102 0.009 4.077 -6.133 1.00 0.00 O ATOM 1605 CB THR A 102 1.262 2.474 -8.676 1.00 0.00 C ATOM 1606 OG1 THR A 102 0.042 2.371 -9.399 1.00 0.00 O ATOM 1607 CG2 THR A 102 2.268 1.604 -9.411 1.00 0.00 C ATOM 0 H THR A 102 1.107 0.142 -7.601 1.00 0.00 H new ATOM 0 HA THR A 102 2.010 2.564 -6.680 1.00 0.00 H new ATOM 0 HB THR A 102 1.636 3.498 -8.660 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.203 1.427 -9.494 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.291 1.885 -10.464 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.257 1.745 -8.976 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.978 0.557 -9.321 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.314 2.407 -6.808 1.00 0.00 N ATOM 1616 CA TRP A 103 -2.561 3.061 -6.451 1.00 0.00 C ATOM 1617 C TRP A 103 -2.651 3.291 -4.937 1.00 0.00 C ATOM 1618 O TRP A 103 -3.413 4.157 -4.503 1.00 0.00 O ATOM 1619 CB TRP A 103 -3.729 2.174 -6.886 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.013 2.058 -8.352 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.544 1.113 -9.193 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -4.961 2.836 -9.132 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.191 1.212 -10.411 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.136 2.222 -10.401 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -5.740 3.968 -8.853 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.122 2.667 -11.300 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -6.677 4.472 -9.770 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -6.881 3.808 -10.988 1.00 0.00 C ATOM 0 H TRP A 103 -1.440 1.468 -7.187 1.00 0.00 H new ATOM 0 HA TRP A 103 -2.601 4.028 -6.953 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -3.549 1.171 -6.500 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -4.631 2.546 -6.399 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.780 0.389 -8.952 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.996 0.616 -11.215 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.616 4.468 -7.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.295 2.135 -12.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.237 5.366 -9.538 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.620 4.173 -11.686 1.00 0.00 H new ATOM 1639 N CYS A 104 -1.879 2.554 -4.129 1.00 0.00 N ATOM 1640 CA CYS A 104 -1.748 2.861 -2.719 1.00 0.00 C ATOM 1641 C CYS A 104 -0.967 4.141 -2.537 1.00 0.00 C ATOM 1642 O CYS A 104 -1.449 5.040 -1.857 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.047 1.758 -1.955 1.00 0.00 C ATOM 1644 SG CYS A 104 -1.193 2.209 -0.196 1.00 0.00 S ATOM 0 H CYS A 104 -1.341 1.744 -4.437 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.758 2.967 -2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -1.509 0.791 -2.151 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.002 1.678 -2.253 1.00 0.00 H new ATOM 0 HG CYS A 104 -0.167 1.748 0.457 1.00 0.00 H new ATOM 1650 N LEU A 105 0.211 4.226 -3.163 1.00 0.00 N ATOM 1651 CA LEU A 105 1.063 5.403 -3.076 1.00 0.00 C ATOM 1652 C LEU A 105 0.226 6.607 -3.487 1.00 0.00 C ATOM 1653 O LEU A 105 0.259 7.633 -2.820 1.00 0.00 O ATOM 1654 CB LEU A 105 2.317 5.247 -3.962 1.00 0.00 C ATOM 1655 CG LEU A 105 3.158 4.003 -3.617 1.00 0.00 C ATOM 1656 CD1 LEU A 105 4.199 3.706 -4.696 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.852 4.172 -2.266 1.00 0.00 C ATOM 0 H LEU A 105 0.595 3.479 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 105 1.426 5.537 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.010 5.191 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.938 6.137 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 105 2.471 3.159 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.771 2.822 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.697 3.527 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.872 4.557 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.439 3.281 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.509 5.041 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.103 4.315 -1.487 1.00 0.00 H new ATOM 1669 N ARG A 106 -0.627 6.430 -4.501 1.00 0.00 N ATOM 1670 CA ARG A 106 -1.504 7.488 -4.989 1.00 0.00 C ATOM 1671 C ARG A 106 -2.547 7.950 -3.975 1.00 0.00 C ATOM 1672 O ARG A 106 -3.061 9.051 -4.125 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.195 7.047 -6.284 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.185 6.954 -7.423 1.00 0.00 C ATOM 1675 CD ARG A 106 -1.849 6.746 -8.781 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.848 5.361 -9.268 1.00 0.00 N ATOM 1677 CZ ARG A 106 -2.278 5.034 -10.495 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -2.821 5.956 -11.289 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -2.144 3.784 -10.921 1.00 0.00 N ATOM 0 H ARG A 106 -0.726 5.548 -5.003 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.860 8.347 -5.175 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.675 6.080 -6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.981 7.756 -6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.589 7.866 -7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.498 6.130 -7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.881 7.093 -8.721 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.344 7.374 -9.515 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.509 4.622 -8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.912 6.919 -10.965 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.146 5.699 -12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.717 3.082 -10.316 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.468 3.525 -11.853 1.00 0.00 H new ATOM 1693 N CYS A 107 -2.916 7.117 -3.004 1.00 0.00 N ATOM 1694 CA CYS A 107 -3.856 7.450 -1.945 1.00 0.00 C ATOM 1695 C CYS A 107 -3.119 8.107 -0.769 1.00 0.00 C ATOM 1696 O CYS A 107 -3.731 8.873 -0.027 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.563 6.151 -1.523 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.029 6.451 -0.497 1.00 0.00 S ATOM 0 H CYS A 107 -2.557 6.165 -2.934 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.598 8.169 -2.293 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.856 5.596 -2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.862 5.523 -0.973 1.00 0.00 H new ATOM 0 HG CYS A 107 -6.576 5.315 -0.179 1.00 0.00 H new ATOM 1704 N LEU A 108 -1.824 7.817 -0.598 1.00 0.00 N ATOM 1705 CA LEU A 108 -0.944 8.434 0.396 1.00 0.00 C ATOM 1706 C LEU A 108 -0.417 9.788 -0.081 1.00 0.00 C ATOM 1707 O LEU A 108 0.066 10.561 0.744 1.00 0.00 O ATOM 1708 CB LEU A 108 0.234 7.500 0.718 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.173 6.107 1.234 1.00 0.00 C ATOM 1710 CD1 LEU A 108 1.079 5.249 1.438 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -0.995 6.160 2.525 1.00 0.00 C ATOM 0 H LEU A 108 -1.345 7.121 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.533 8.600 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.839 7.377 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.866 7.979 1.465 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.817 5.660 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.789 4.264 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.607 5.144 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.734 5.728 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.250 5.147 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.412 6.644 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.910 6.727 2.351 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.528 10.100 -1.377 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.247 11.405 -1.935 1.00 0.00 C ATOM 1725 C TRP A 109 -1.124 12.471 -1.265 1.00 0.00 C ATOM 1726 O TRP A 109 -2.142 12.168 -0.629 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.448 11.332 -3.452 1.00 0.00 C ATOM 1728 CG TRP A 109 0.557 10.589 -4.282 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.659 9.918 -3.877 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.514 10.419 -5.720 1.00 0.00 C ATOM 1731 NE1 TRP A 109 2.320 9.387 -4.972 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.646 9.663 -6.141 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.414 10.807 -6.699 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.876 9.354 -7.490 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.215 10.473 -8.044 1.00 0.00 C ATOM 1736 CH2 TRP A 109 0.928 9.761 -8.445 1.00 0.00 C ATOM 0 H TRP A 109 -0.826 9.422 -2.079 1.00 0.00 H new ATOM 0 HA TRP A 109 0.785 11.698 -1.742 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.423 10.881 -3.634 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.495 12.354 -3.828 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.977 9.812 -2.850 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.192 8.860 -4.920 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.290 11.369 -6.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.763 8.815 -7.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -0.948 10.766 -8.781 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.078 9.526 -9.488 1.00 0.00 H new ATOM 1747 N SER A 110 -0.706 13.724 -1.416 1.00 0.00 N ATOM 1748 CA SER A 110 -1.114 14.858 -0.612 1.00 0.00 C ATOM 1749 C SER A 110 -1.480 15.986 -1.575 1.00 0.00 C ATOM 1750 O SER A 110 -0.723 16.300 -2.491 1.00 0.00 O ATOM 1751 CB SER A 110 0.075 15.206 0.293 1.00 0.00 C ATOM 1752 OG SER A 110 -0.268 16.136 1.294 1.00 0.00 O ATOM 0 H SER A 110 -0.038 13.983 -2.142 1.00 0.00 H new ATOM 0 HA SER A 110 -1.981 14.664 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.452 14.296 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.884 15.611 -0.314 1.00 0.00 H new ATOM 0 HG SER A 110 0.518 16.327 1.847 1.00 0.00 H new ATOM 1758 N THR A 111 -2.667 16.560 -1.422 1.00 0.00 N ATOM 1759 CA THR A 111 -3.186 17.613 -2.288 1.00 0.00 C ATOM 1760 C THR A 111 -2.360 18.893 -2.099 1.00 0.00 C ATOM 1761 O THR A 111 -2.102 19.292 -0.958 1.00 0.00 O ATOM 1762 CB THR A 111 -4.671 17.803 -1.939 1.00 0.00 C ATOM 1763 OG1 THR A 111 -4.837 17.792 -0.533 1.00 0.00 O ATOM 1764 CG2 THR A 111 -5.507 16.647 -2.483 1.00 0.00 C ATOM 0 H THR A 111 -3.311 16.301 -0.675 1.00 0.00 H new ATOM 0 HA THR A 111 -3.105 17.350 -3.343 1.00 0.00 H new ATOM 0 HB THR A 111 -4.992 18.749 -2.375 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.784 17.915 -0.314 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.554 16.802 -2.224 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.404 16.602 -3.567 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.160 15.710 -2.046 1.00 0.00 H new ATOM 1772 N LYS A 112 -1.941 19.544 -3.189 1.00 0.00 N ATOM 1773 CA LYS A 112 -1.047 20.690 -3.178 1.00 0.00 C ATOM 1774 C LYS A 112 -1.467 21.643 -4.302 1.00 0.00 C ATOM 1775 O LYS A 112 -1.191 21.352 -5.472 1.00 0.00 O ATOM 1776 CB LYS A 112 0.399 20.210 -3.313 1.00 0.00 C ATOM 1777 CG LYS A 112 1.455 21.323 -3.368 1.00 0.00 C ATOM 1778 CD LYS A 112 1.491 22.205 -2.109 1.00 0.00 C ATOM 1779 CE LYS A 112 2.619 23.246 -2.149 1.00 0.00 C ATOM 1780 NZ LYS A 112 3.961 22.630 -2.125 1.00 0.00 N ATOM 0 H LYS A 112 -2.228 19.274 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.111 21.235 -2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.628 19.556 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.482 19.607 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.437 20.873 -3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.261 21.953 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.534 22.716 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.616 21.572 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.517 23.852 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.517 23.920 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.681 23.370 -2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.019 21.954 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.130 22.131 -3.022 1.00 0.00 H new ATOM 1794 N PRO A 113 -2.163 22.740 -3.974 1.00 0.00 N ATOM 1795 CA PRO A 113 -2.542 23.765 -4.936 1.00 0.00 C ATOM 1796 C PRO A 113 -1.301 24.511 -5.454 1.00 0.00 C ATOM 1797 O PRO A 113 -0.231 24.455 -4.848 1.00 0.00 O ATOM 1798 CB PRO A 113 -3.500 24.680 -4.171 1.00 0.00 C ATOM 1799 CG PRO A 113 -3.068 24.539 -2.715 1.00 0.00 C ATOM 1800 CD PRO A 113 -2.559 23.109 -2.627 1.00 0.00 C ATOM 0 HA PRO A 113 -3.019 23.355 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -3.422 25.712 -4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -4.538 24.376 -4.310 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -2.290 25.258 -2.457 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -3.900 24.711 -2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -1.716 23.037 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -3.335 22.441 -2.252 1.00 0.00 H new ATOM 1808 N VAL A 114 -1.458 25.315 -6.510 1.00 0.00 N ATOM 1809 CA VAL A 114 -0.456 26.243 -7.017 1.00 0.00 C ATOM 1810 C VAL A 114 -0.553 27.541 -6.224 1.00 0.00 C ATOM 1811 O VAL A 114 -0.730 28.650 -6.735 1.00 0.00 O ATOM 1812 CB VAL A 114 -0.533 26.389 -8.551 1.00 0.00 C ATOM 1813 CG1 VAL A 114 -0.116 25.072 -9.220 1.00 0.00 C ATOM 1814 CG2 VAL A 114 -1.895 26.812 -9.120 1.00 0.00 C ATOM 0 H VAL A 114 -2.322 25.334 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 114 0.550 25.855 -6.859 1.00 0.00 H new ATOM 0 HB VAL A 114 0.150 27.207 -8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.172 25.180 -10.303 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.906 24.826 -8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.785 24.273 -8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.830 26.882 -10.206 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.648 26.072 -8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.175 27.782 -8.710 1.00 0.00 H new ATOM 1824 N ASP A 115 -0.439 27.356 -4.914 1.00 0.00 N ATOM 1825 CA ASP A 115 -0.590 28.337 -3.853 1.00 0.00 C ATOM 1826 C ASP A 115 -1.984 28.964 -3.800 1.00 0.00 C ATOM 1827 O ASP A 115 -2.215 29.899 -3.026 1.00 0.00 O ATOM 1828 CB ASP A 115 0.548 29.368 -3.901 1.00 0.00 C ATOM 1829 CG ASP A 115 1.385 29.285 -2.635 1.00 0.00 C ATOM 1830 OD1 ASP A 115 0.823 29.460 -1.528 1.00 0.00 O ATOM 1831 OD2 ASP A 115 2.569 28.901 -2.768 1.00 0.00 O ATOM 0 H ASP A 115 -0.219 26.434 -4.537 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.503 27.807 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.176 29.187 -4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 115 0.135 30.371 -4.008 1.00 0.00 H new ATOM 1836 N THR A 116 -2.930 28.452 -4.593 1.00 0.00 N ATOM 1837 CA THR A 116 -4.317 28.880 -4.530 1.00 0.00 C ATOM 1838 C THR A 116 -5.241 27.772 -5.019 1.00 0.00 C ATOM 1839 O THR A 116 -6.234 27.483 -4.318 1.00 0.00 O ATOM 1840 CB THR A 116 -4.441 30.241 -5.225 1.00 0.00 C ATOM 1841 OG1 THR A 116 -5.455 31.023 -4.630 1.00 0.00 O ATOM 1842 CG2 THR A 116 -4.661 30.111 -6.718 1.00 0.00 C ATOM 0 H THR A 116 -2.749 27.732 -5.292 1.00 0.00 H new ATOM 0 HA THR A 116 -4.652 29.048 -3.506 1.00 0.00 H new ATOM 0 HB THR A 116 -3.488 30.752 -5.090 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.514 31.887 -5.089 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.742 31.103 -7.162 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.820 29.581 -7.165 1.00 0.00 H new ATOM 0 HG23 THR A 116 -5.580 29.555 -6.903 1.00 0.00 H new TER 1850 THR A 116