USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 878 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 21 MET CE :methyl 176:sc= -1.05 (180deg=-1.06) USER MOD Set 1.2: A 57 CYS SG : rot -65:sc= -0.029 USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0228) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.75! C(o=-2.7!,f=-3.5!) USER MOD Single : A 13 HIS : no HD1:sc= -0.0517 X(o=-0.052,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 22 LYS NZ :NH3+ -149:sc= -1.09 (180deg=-2.74!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 32 ASN : amide:sc= -0.0453 K(o=-0.045,f=-1.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.454 K(o=-0.45,f=-2.2!) USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= -0.101 (180deg=-0.853) USER MOD Single : A 41 MET CE :methyl -174:sc= -0.633 (180deg=-0.676) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -95:sc= 1.12 USER MOD Single : A 62 ASN : amide:sc= -0.502 K(o=-0.5,f=-1.2) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 71 ASN : amide:sc= -0.0807 K(o=-0.081,f=-1.6) USER MOD Single : A 78 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-0.55) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0451 USER MOD Single : A 80 HIS : no HD1:sc= -3.16! K(o=-3.2!,f=-2.1) USER MOD Single : A 82 GLN : amide:sc= -1.79! K(o=-1.8!,f=-0.84) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -87:sc= 1.18 USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 167:sc= -0.497 (180deg=-0.729) USER MOD Single : A 105 ASN : amide:sc= -0.261 K(o=-0.26,f=-6.8!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 15:sc= 0.463 USER MOD Single : A 118 SER OG : rot -57:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.091 13.663 -20.232 1.00 0.00 N ATOM 2 CA GLY A 1 -3.920 13.530 -19.385 1.00 0.00 C ATOM 3 C GLY A 1 -4.219 12.796 -18.093 1.00 0.00 C ATOM 4 O GLY A 1 -3.440 11.947 -17.659 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.817 14.095 -21.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.501 12.724 -20.407 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.795 14.266 -19.759 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.140 12.998 -19.930 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.528 14.521 -19.154 1.00 0.00 H new ATOM 8 N SER A 2 -5.350 13.124 -17.476 1.00 0.00 N ATOM 9 CA SER A 2 -5.747 12.493 -16.223 1.00 0.00 C ATOM 10 C SER A 2 -6.386 11.131 -16.478 1.00 0.00 C ATOM 11 O SER A 2 -5.977 10.124 -15.903 1.00 0.00 O ATOM 12 CB SER A 2 -6.724 13.393 -15.462 1.00 0.00 C ATOM 13 OG SER A 2 -6.032 14.296 -14.617 1.00 0.00 O ATOM 0 H SER A 2 -6.007 13.823 -17.823 1.00 0.00 H new ATOM 0 HA SER A 2 -4.852 12.347 -15.619 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.337 13.950 -16.170 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.401 12.780 -14.867 1.00 0.00 H new ATOM 0 HG SER A 2 -6.678 14.861 -14.143 1.00 0.00 H new ATOM 19 N SER A 3 -7.393 11.111 -17.346 1.00 0.00 N ATOM 20 CA SER A 3 -8.092 9.874 -17.676 1.00 0.00 C ATOM 21 C SER A 3 -7.710 9.390 -19.072 1.00 0.00 C ATOM 22 O SER A 3 -7.954 10.072 -20.066 1.00 0.00 O ATOM 23 CB SER A 3 -9.606 10.081 -17.593 1.00 0.00 C ATOM 24 OG SER A 3 -10.033 10.178 -16.245 1.00 0.00 O ATOM 0 H SER A 3 -7.743 11.936 -17.833 1.00 0.00 H new ATOM 0 HA SER A 3 -7.796 9.114 -16.953 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.883 10.987 -18.132 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.117 9.251 -18.081 1.00 0.00 H new ATOM 0 HG SER A 3 -11.003 10.312 -16.218 1.00 0.00 H new ATOM 30 N GLY A 4 -7.108 8.206 -19.136 1.00 0.00 N ATOM 31 CA GLY A 4 -6.701 7.649 -20.413 1.00 0.00 C ATOM 32 C GLY A 4 -5.727 6.499 -20.260 1.00 0.00 C ATOM 33 O GLY A 4 -4.555 6.707 -19.945 1.00 0.00 O ATOM 0 H GLY A 4 -6.895 7.623 -18.327 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.583 7.305 -20.953 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.242 8.431 -21.017 1.00 0.00 H new ATOM 37 N SER A 5 -6.211 5.281 -20.482 1.00 0.00 N ATOM 38 CA SER A 5 -5.375 4.092 -20.361 1.00 0.00 C ATOM 39 C SER A 5 -4.717 3.753 -21.695 1.00 0.00 C ATOM 40 O SER A 5 -5.298 3.968 -22.759 1.00 0.00 O ATOM 41 CB SER A 5 -6.208 2.905 -19.874 1.00 0.00 C ATOM 42 OG SER A 5 -5.415 1.997 -19.129 1.00 0.00 O ATOM 0 H SER A 5 -7.178 5.092 -20.747 1.00 0.00 H new ATOM 0 HA SER A 5 -4.592 4.301 -19.632 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.032 3.264 -19.257 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.649 2.391 -20.728 1.00 0.00 H new ATOM 0 HG SER A 5 -5.971 1.248 -18.828 1.00 0.00 H new ATOM 48 N SER A 6 -3.501 3.222 -21.629 1.00 0.00 N ATOM 49 CA SER A 6 -2.760 2.856 -22.831 1.00 0.00 C ATOM 50 C SER A 6 -2.531 1.349 -22.890 1.00 0.00 C ATOM 51 O SER A 6 -2.901 0.617 -21.974 1.00 0.00 O ATOM 52 CB SER A 6 -1.418 3.590 -22.872 1.00 0.00 C ATOM 53 OG SER A 6 -1.599 4.969 -23.142 1.00 0.00 O ATOM 0 H SER A 6 -3.007 3.035 -20.756 1.00 0.00 H new ATOM 0 HA SER A 6 -3.353 3.150 -23.697 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.904 3.467 -21.919 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.781 3.147 -23.637 1.00 0.00 H new ATOM 0 HG SER A 6 -0.727 5.416 -23.161 1.00 0.00 H new ATOM 59 N GLY A 7 -1.916 0.892 -23.977 1.00 0.00 N ATOM 60 CA GLY A 7 -1.647 -0.525 -24.137 1.00 0.00 C ATOM 61 C GLY A 7 -0.547 -0.796 -25.145 1.00 0.00 C ATOM 62 O GLY A 7 0.461 -0.093 -25.178 1.00 0.00 O ATOM 0 H GLY A 7 -1.599 1.478 -24.749 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.365 -0.949 -23.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.559 -1.031 -24.454 1.00 0.00 H new ATOM 66 N ASN A 8 -0.742 -1.821 -25.969 1.00 0.00 N ATOM 67 CA ASN A 8 0.243 -2.185 -26.981 1.00 0.00 C ATOM 68 C ASN A 8 -0.408 -2.974 -28.113 1.00 0.00 C ATOM 69 O ASN A 8 -1.535 -3.451 -27.985 1.00 0.00 O ATOM 70 CB ASN A 8 1.370 -3.008 -26.353 1.00 0.00 C ATOM 71 CG ASN A 8 1.938 -2.354 -25.108 1.00 0.00 C ATOM 72 OD1 ASN A 8 1.395 -2.501 -24.013 1.00 0.00 O ATOM 73 ND2 ASN A 8 3.038 -1.628 -25.271 1.00 0.00 N ATOM 0 H ASN A 8 -1.572 -2.413 -25.956 1.00 0.00 H new ATOM 0 HA ASN A 8 0.660 -1.267 -27.394 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.995 -4.000 -26.100 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.167 -3.145 -27.084 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.467 -1.165 -24.470 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.454 -1.534 -26.197 1.00 0.00 H new ATOM 80 N GLY A 9 0.312 -3.109 -29.223 1.00 0.00 N ATOM 81 CA GLY A 9 -0.210 -3.841 -30.362 1.00 0.00 C ATOM 82 C GLY A 9 -0.070 -5.342 -30.200 1.00 0.00 C ATOM 83 O GLY A 9 0.766 -5.815 -29.431 1.00 0.00 O ATOM 0 H GLY A 9 1.248 -2.724 -29.353 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.262 -3.590 -30.500 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.314 -3.526 -31.264 1.00 0.00 H new ATOM 87 N GLY A 10 -0.892 -6.094 -30.927 1.00 0.00 N ATOM 88 CA GLY A 10 -0.840 -7.542 -30.844 1.00 0.00 C ATOM 89 C GLY A 10 -1.099 -8.052 -29.441 1.00 0.00 C ATOM 90 O GLY A 10 -1.260 -7.266 -28.507 1.00 0.00 O ATOM 0 H GLY A 10 -1.592 -5.726 -31.571 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.577 -7.968 -31.524 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.139 -7.887 -31.178 1.00 0.00 H new ATOM 94 N ILE A 11 -1.142 -9.372 -29.292 1.00 0.00 N ATOM 95 CA ILE A 11 -1.384 -9.985 -27.992 1.00 0.00 C ATOM 96 C ILE A 11 -0.478 -9.384 -26.923 1.00 0.00 C ATOM 97 O ILE A 11 0.670 -9.021 -27.178 1.00 0.00 O ATOM 98 CB ILE A 11 -1.162 -11.509 -28.039 1.00 0.00 C ATOM 99 CG1 ILE A 11 0.231 -11.827 -28.585 1.00 0.00 C ATOM 100 CG2 ILE A 11 -2.234 -12.174 -28.888 1.00 0.00 C ATOM 101 CD1 ILE A 11 0.543 -13.307 -28.622 1.00 0.00 C ATOM 0 H ILE A 11 -1.013 -10.037 -30.055 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.425 -9.784 -27.737 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.233 -11.903 -27.025 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.319 -11.420 -29.592 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.977 -11.322 -27.971 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.064 -13.250 -28.912 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.215 -11.971 -28.459 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.192 -11.778 -29.903 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.546 -13.457 -29.020 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.488 -13.716 -27.613 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.180 -13.815 -29.260 1.00 0.00 H new ATOM 113 N PRO A 12 -1.005 -9.276 -25.694 1.00 0.00 N ATOM 114 CA PRO A 12 -0.261 -8.721 -24.559 1.00 0.00 C ATOM 115 C PRO A 12 0.868 -9.638 -24.102 1.00 0.00 C ATOM 116 O PRO A 12 2.006 -9.201 -23.929 1.00 0.00 O ATOM 117 CB PRO A 12 -1.324 -8.594 -23.465 1.00 0.00 C ATOM 118 CG PRO A 12 -2.350 -9.615 -23.815 1.00 0.00 C ATOM 119 CD PRO A 12 -2.367 -9.688 -25.317 1.00 0.00 C ATOM 0 HA PRO A 12 0.224 -7.778 -24.812 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.901 -8.780 -22.478 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.753 -7.592 -23.444 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.101 -10.583 -23.380 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.329 -9.333 -23.427 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.594 -10.695 -25.668 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.120 -9.025 -25.743 1.00 0.00 H new ATOM 127 N HIS A 13 0.546 -10.913 -23.908 1.00 0.00 N ATOM 128 CA HIS A 13 1.535 -11.893 -23.472 1.00 0.00 C ATOM 129 C HIS A 13 2.359 -11.352 -22.307 1.00 0.00 C ATOM 130 O HIS A 13 3.525 -11.710 -22.140 1.00 0.00 O ATOM 131 CB HIS A 13 2.456 -12.271 -24.632 1.00 0.00 C ATOM 132 CG HIS A 13 3.003 -13.662 -24.534 1.00 0.00 C ATOM 133 ND1 HIS A 13 3.348 -14.415 -25.637 1.00 0.00 N ATOM 134 CD2 HIS A 13 3.265 -14.437 -23.455 1.00 0.00 C ATOM 135 CE1 HIS A 13 3.797 -15.592 -25.241 1.00 0.00 C ATOM 136 NE2 HIS A 13 3.758 -15.631 -23.921 1.00 0.00 N ATOM 0 H HIS A 13 -0.391 -11.292 -24.046 1.00 0.00 H new ATOM 0 HA HIS A 13 1.004 -12.783 -23.136 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.907 -12.170 -25.568 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.286 -11.565 -24.671 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.114 -14.166 -22.420 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.138 -16.388 -25.887 1.00 0.00 H new ATOM 0 HE2 HIS A 13 4.047 -16.420 -23.342 1.00 0.00 H new ATOM 145 N ASP A 14 1.745 -10.488 -21.506 1.00 0.00 N ATOM 146 CA ASP A 14 2.422 -9.898 -20.357 1.00 0.00 C ATOM 147 C ASP A 14 2.776 -10.966 -19.327 1.00 0.00 C ATOM 148 O ASP A 14 2.468 -12.143 -19.508 1.00 0.00 O ATOM 149 CB ASP A 14 1.541 -8.824 -19.716 1.00 0.00 C ATOM 150 CG ASP A 14 0.472 -9.414 -18.817 1.00 0.00 C ATOM 151 OD1 ASP A 14 0.823 -9.925 -17.734 1.00 0.00 O ATOM 152 OD2 ASP A 14 -0.717 -9.365 -19.198 1.00 0.00 O ATOM 0 H ASP A 14 0.780 -10.181 -21.631 1.00 0.00 H new ATOM 0 HA ASP A 14 3.346 -9.438 -20.707 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.165 -8.144 -19.136 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.067 -8.232 -20.499 1.00 0.00 H new ATOM 157 N ASN A 15 3.425 -10.546 -18.245 1.00 0.00 N ATOM 158 CA ASN A 15 3.822 -11.467 -17.187 1.00 0.00 C ATOM 159 C ASN A 15 3.345 -10.969 -15.826 1.00 0.00 C ATOM 160 O ASN A 15 2.681 -11.695 -15.084 1.00 0.00 O ATOM 161 CB ASN A 15 5.342 -11.639 -17.176 1.00 0.00 C ATOM 162 CG ASN A 15 5.784 -12.816 -16.328 1.00 0.00 C ATOM 163 OD1 ASN A 15 5.900 -12.708 -15.107 1.00 0.00 O ATOM 164 ND2 ASN A 15 6.035 -13.949 -16.975 1.00 0.00 N ATOM 0 H ASN A 15 3.687 -9.574 -18.079 1.00 0.00 H new ATOM 0 HA ASN A 15 3.356 -12.432 -17.385 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.697 -11.777 -18.197 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.805 -10.728 -16.798 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.337 -14.775 -16.459 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.925 -13.993 -17.988 1.00 0.00 H new ATOM 171 N LEU A 16 3.688 -9.727 -15.503 1.00 0.00 N ATOM 172 CA LEU A 16 3.295 -9.130 -14.231 1.00 0.00 C ATOM 173 C LEU A 16 1.778 -9.007 -14.133 1.00 0.00 C ATOM 174 O LEU A 16 1.083 -8.943 -15.147 1.00 0.00 O ATOM 175 CB LEU A 16 3.942 -7.754 -14.069 1.00 0.00 C ATOM 176 CG LEU A 16 5.375 -7.743 -13.537 1.00 0.00 C ATOM 177 CD1 LEU A 16 5.474 -8.556 -12.255 1.00 0.00 C ATOM 178 CD2 LEU A 16 6.338 -8.280 -14.586 1.00 0.00 C ATOM 0 H LEU A 16 4.238 -9.113 -16.104 1.00 0.00 H new ATOM 0 HA LEU A 16 3.640 -9.783 -13.429 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.932 -7.254 -15.037 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.322 -7.160 -13.397 1.00 0.00 H new ATOM 0 HG LEU A 16 5.651 -6.713 -13.313 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.501 -8.537 -11.891 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.813 -8.128 -11.501 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.178 -9.586 -12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.353 -8.265 -14.190 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.064 -9.303 -14.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.288 -7.657 -15.479 1.00 0.00 H new ATOM 190 N VAL A 17 1.270 -8.973 -12.905 1.00 0.00 N ATOM 191 CA VAL A 17 -0.165 -8.853 -12.674 1.00 0.00 C ATOM 192 C VAL A 17 -0.539 -7.433 -12.267 1.00 0.00 C ATOM 193 O VAL A 17 0.066 -6.854 -11.363 1.00 0.00 O ATOM 194 CB VAL A 17 -0.641 -9.831 -11.584 1.00 0.00 C ATOM 195 CG1 VAL A 17 -2.119 -9.625 -11.290 1.00 0.00 C ATOM 196 CG2 VAL A 17 -0.367 -11.268 -12.001 1.00 0.00 C ATOM 0 H VAL A 17 1.831 -9.027 -12.055 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.659 -9.100 -13.614 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.082 -9.629 -10.670 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.437 -10.325 -10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.282 -8.604 -10.945 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.698 -9.798 -12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.710 -11.945 -11.219 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.898 -11.485 -12.928 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.703 -11.404 -12.156 1.00 0.00 H new ATOM 206 N LEU A 18 -1.541 -6.876 -12.938 1.00 0.00 N ATOM 207 CA LEU A 18 -1.998 -5.521 -12.646 1.00 0.00 C ATOM 208 C LEU A 18 -3.266 -5.546 -11.797 1.00 0.00 C ATOM 209 O LEU A 18 -4.173 -6.342 -12.042 1.00 0.00 O ATOM 210 CB LEU A 18 -2.256 -4.757 -13.945 1.00 0.00 C ATOM 211 CG LEU A 18 -2.910 -3.383 -13.798 1.00 0.00 C ATOM 212 CD1 LEU A 18 -1.890 -2.352 -13.340 1.00 0.00 C ATOM 213 CD2 LEU A 18 -3.553 -2.955 -15.109 1.00 0.00 C ATOM 0 H LEU A 18 -2.053 -7.341 -13.688 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.215 -5.013 -12.083 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.306 -4.631 -14.464 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.889 -5.372 -14.585 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.690 -3.453 -13.040 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.374 -1.380 -13.241 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.477 -2.652 -12.377 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.087 -2.284 -14.074 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.014 -1.975 -14.985 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.792 -2.903 -15.888 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.315 -3.680 -15.394 1.00 0.00 H new ATOM 225 N ILE A 19 -3.322 -4.668 -10.801 1.00 0.00 N ATOM 226 CA ILE A 19 -4.480 -4.587 -9.919 1.00 0.00 C ATOM 227 C ILE A 19 -5.249 -3.289 -10.140 1.00 0.00 C ATOM 228 O ILE A 19 -4.705 -2.197 -9.973 1.00 0.00 O ATOM 229 CB ILE A 19 -4.067 -4.681 -8.439 1.00 0.00 C ATOM 230 CG1 ILE A 19 -3.267 -5.961 -8.190 1.00 0.00 C ATOM 231 CG2 ILE A 19 -5.295 -4.635 -7.542 1.00 0.00 C ATOM 232 CD1 ILE A 19 -4.119 -7.211 -8.165 1.00 0.00 C ATOM 0 H ILE A 19 -2.579 -4.003 -10.585 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.123 -5.433 -10.163 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.434 -3.827 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.509 -6.063 -8.967 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.740 -5.871 -7.240 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.986 -4.703 -6.499 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.828 -3.698 -7.703 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.952 -5.472 -7.781 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.486 -8.079 -7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.860 -7.130 -7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.626 -7.325 -9.123 1.00 0.00 H new ATOM 244 N ARG A 20 -6.518 -3.416 -10.514 1.00 0.00 N ATOM 245 CA ARG A 20 -7.363 -2.253 -10.756 1.00 0.00 C ATOM 246 C ARG A 20 -8.504 -2.190 -9.746 1.00 0.00 C ATOM 247 O ARG A 20 -9.236 -3.162 -9.559 1.00 0.00 O ATOM 248 CB ARG A 20 -7.928 -2.294 -12.177 1.00 0.00 C ATOM 249 CG ARG A 20 -6.935 -1.853 -13.240 1.00 0.00 C ATOM 250 CD ARG A 20 -7.639 -1.250 -14.445 1.00 0.00 C ATOM 251 NE ARG A 20 -8.273 -2.271 -15.276 1.00 0.00 N ATOM 252 CZ ARG A 20 -8.803 -2.022 -16.469 1.00 0.00 C ATOM 253 NH1 ARG A 20 -8.774 -0.795 -16.968 1.00 0.00 N ATOM 254 NH2 ARG A 20 -9.362 -3.004 -17.165 1.00 0.00 N ATOM 0 H ARG A 20 -6.983 -4.312 -10.656 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.749 -1.359 -10.641 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.258 -3.309 -12.399 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.809 -1.654 -12.227 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.247 -1.122 -12.816 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.336 -2.707 -13.557 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.393 -0.539 -14.106 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.919 -0.691 -15.043 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.311 -3.227 -14.921 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.344 -0.038 -16.436 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.182 -0.607 -17.884 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.385 -3.950 -16.784 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.769 -2.813 -18.081 1.00 0.00 H new ATOM 268 N MET A 21 -8.650 -1.040 -9.096 1.00 0.00 N ATOM 269 CA MET A 21 -9.703 -0.850 -8.105 1.00 0.00 C ATOM 270 C MET A 21 -10.001 0.632 -7.905 1.00 0.00 C ATOM 271 O MET A 21 -9.161 1.488 -8.183 1.00 0.00 O ATOM 272 CB MET A 21 -9.298 -1.485 -6.772 1.00 0.00 C ATOM 273 CG MET A 21 -8.096 -0.820 -6.122 1.00 0.00 C ATOM 274 SD MET A 21 -7.783 -1.428 -4.454 1.00 0.00 S ATOM 275 CE MET A 21 -6.845 -2.913 -4.805 1.00 0.00 C ATOM 0 H MET A 21 -8.052 -0.226 -9.238 1.00 0.00 H new ATOM 0 HA MET A 21 -10.606 -1.337 -8.473 1.00 0.00 H new ATOM 0 HB2 MET A 21 -10.143 -1.439 -6.086 1.00 0.00 H new ATOM 0 HB3 MET A 21 -9.076 -2.540 -6.934 1.00 0.00 H new ATOM 0 HG2 MET A 21 -7.214 -0.991 -6.738 1.00 0.00 H new ATOM 0 HG3 MET A 21 -8.256 0.258 -6.088 1.00 0.00 H new ATOM 0 HE1 MET A 21 -6.516 -3.365 -3.869 1.00 0.00 H new ATOM 0 HE2 MET A 21 -7.472 -3.620 -5.349 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.975 -2.659 -5.411 1.00 0.00 H new ATOM 285 N LYS A 22 -11.203 0.929 -7.422 1.00 0.00 N ATOM 286 CA LYS A 22 -11.612 2.308 -7.185 1.00 0.00 C ATOM 287 C LYS A 22 -11.974 2.523 -5.719 1.00 0.00 C ATOM 288 O LYS A 22 -12.460 1.622 -5.036 1.00 0.00 O ATOM 289 CB LYS A 22 -12.805 2.668 -8.073 1.00 0.00 C ATOM 290 CG LYS A 22 -14.046 1.839 -7.791 1.00 0.00 C ATOM 291 CD LYS A 22 -14.921 2.487 -6.731 1.00 0.00 C ATOM 292 CE LYS A 22 -15.748 3.624 -7.311 1.00 0.00 C ATOM 293 NZ LYS A 22 -14.991 4.906 -7.334 1.00 0.00 N ATOM 0 H LYS A 22 -11.911 0.233 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.773 2.957 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.044 3.723 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.522 2.539 -9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.618 1.715 -8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.752 0.842 -7.462 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.584 1.738 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.295 2.866 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.058 3.367 -8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.656 3.749 -6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.651 5.701 -7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.299 4.914 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.493 4.999 -8.242 1.00 0.00 H new ATOM 307 N PRO A 23 -11.734 3.746 -5.222 1.00 0.00 N ATOM 308 CA PRO A 23 -12.029 4.108 -3.832 1.00 0.00 C ATOM 309 C PRO A 23 -13.527 4.185 -3.559 1.00 0.00 C ATOM 310 O PRO A 23 -14.294 4.677 -4.387 1.00 0.00 O ATOM 311 CB PRO A 23 -11.386 5.489 -3.682 1.00 0.00 C ATOM 312 CG PRO A 23 -11.355 6.045 -5.063 1.00 0.00 C ATOM 313 CD PRO A 23 -11.156 4.869 -5.979 1.00 0.00 C ATOM 0 HA PRO A 23 -11.650 3.367 -3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.965 6.125 -3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.383 5.415 -3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.283 6.567 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.547 6.768 -5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.662 5.013 -6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.101 4.705 -6.199 1.00 0.00 H new ATOM 321 N ASP A 24 -13.937 3.696 -2.394 1.00 0.00 N ATOM 322 CA ASP A 24 -15.344 3.711 -2.011 1.00 0.00 C ATOM 323 C ASP A 24 -15.815 5.134 -1.727 1.00 0.00 C ATOM 324 O ASP A 24 -15.062 6.092 -1.898 1.00 0.00 O ATOM 325 CB ASP A 24 -15.568 2.831 -0.780 1.00 0.00 C ATOM 326 CG ASP A 24 -15.354 3.586 0.518 1.00 0.00 C ATOM 327 OD1 ASP A 24 -14.349 4.320 0.619 1.00 0.00 O ATOM 328 OD2 ASP A 24 -16.193 3.442 1.432 1.00 0.00 O ATOM 0 H ASP A 24 -13.315 3.284 -1.698 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.926 3.314 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.582 2.432 -0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.889 1.979 -0.818 1.00 0.00 H new ATOM 333 N GLU A 25 -17.065 5.263 -1.295 1.00 0.00 N ATOM 334 CA GLU A 25 -17.637 6.569 -0.990 1.00 0.00 C ATOM 335 C GLU A 25 -16.792 7.304 0.047 1.00 0.00 C ATOM 336 O GLU A 25 -16.563 8.508 -0.064 1.00 0.00 O ATOM 337 CB GLU A 25 -19.071 6.417 -0.480 1.00 0.00 C ATOM 338 CG GLU A 25 -19.189 5.530 0.748 1.00 0.00 C ATOM 339 CD GLU A 25 -20.558 4.890 0.876 1.00 0.00 C ATOM 340 OE1 GLU A 25 -20.755 3.792 0.317 1.00 0.00 O ATOM 341 OE2 GLU A 25 -21.432 5.489 1.537 1.00 0.00 O ATOM 0 H GLU A 25 -17.701 4.479 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.647 7.156 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.471 7.403 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -19.689 6.004 -1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.430 4.749 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -18.984 6.122 1.640 1.00 0.00 H new ATOM 348 N ASN A 26 -16.331 6.570 1.054 1.00 0.00 N ATOM 349 CA ASN A 26 -15.512 7.151 2.112 1.00 0.00 C ATOM 350 C ASN A 26 -14.098 7.431 1.613 1.00 0.00 C ATOM 351 O ASN A 26 -13.345 8.178 2.237 1.00 0.00 O ATOM 352 CB ASN A 26 -15.463 6.214 3.320 1.00 0.00 C ATOM 353 CG ASN A 26 -16.805 6.097 4.016 1.00 0.00 C ATOM 354 OD1 ASN A 26 -17.604 5.214 3.703 1.00 0.00 O ATOM 355 ND2 ASN A 26 -17.059 6.989 4.966 1.00 0.00 N ATOM 0 H ASN A 26 -16.510 5.572 1.160 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.966 8.096 2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.137 5.225 2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -14.720 6.578 4.029 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -17.946 6.960 5.469 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.367 7.704 5.193 1.00 0.00 H new ATOM 362 N GLY A 27 -13.744 6.826 0.484 1.00 0.00 N ATOM 363 CA GLY A 27 -12.421 7.022 -0.080 1.00 0.00 C ATOM 364 C GLY A 27 -11.354 6.237 0.656 1.00 0.00 C ATOM 365 O GLY A 27 -10.289 6.768 0.972 1.00 0.00 O ATOM 0 H GLY A 27 -14.350 6.203 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.429 6.724 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.171 8.083 -0.052 1.00 0.00 H new ATOM 369 N ARG A 28 -11.640 4.969 0.932 1.00 0.00 N ATOM 370 CA ARG A 28 -10.698 4.110 1.639 1.00 0.00 C ATOM 371 C ARG A 28 -10.615 2.736 0.980 1.00 0.00 C ATOM 372 O ARG A 28 -11.598 2.240 0.429 1.00 0.00 O ATOM 373 CB ARG A 28 -11.111 3.960 3.104 1.00 0.00 C ATOM 374 CG ARG A 28 -12.335 3.082 3.305 1.00 0.00 C ATOM 375 CD ARG A 28 -12.706 2.972 4.776 1.00 0.00 C ATOM 376 NE ARG A 28 -13.098 4.261 5.340 1.00 0.00 N ATOM 377 CZ ARG A 28 -13.548 4.415 6.580 1.00 0.00 C ATOM 378 NH1 ARG A 28 -13.662 3.365 7.382 1.00 0.00 N ATOM 379 NH2 ARG A 28 -13.885 5.620 7.020 1.00 0.00 N ATOM 0 H ARG A 28 -12.516 4.514 0.677 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.714 4.577 1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.277 3.540 3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.311 4.948 3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.175 3.494 2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.141 2.088 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.525 2.262 4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.859 2.575 5.335 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.022 5.089 4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.404 2.437 7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.008 3.486 8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.799 6.430 6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.230 5.737 7.973 1.00 0.00 H new ATOM 393 N PHE A 29 -9.436 2.126 1.041 1.00 0.00 N ATOM 394 CA PHE A 29 -9.224 0.810 0.449 1.00 0.00 C ATOM 395 C PHE A 29 -9.264 -0.279 1.517 1.00 0.00 C ATOM 396 O PHE A 29 -9.268 0.009 2.713 1.00 0.00 O ATOM 397 CB PHE A 29 -7.884 0.769 -0.288 1.00 0.00 C ATOM 398 CG PHE A 29 -7.741 1.838 -1.333 1.00 0.00 C ATOM 399 CD1 PHE A 29 -7.209 3.076 -1.009 1.00 0.00 C ATOM 400 CD2 PHE A 29 -8.139 1.606 -2.640 1.00 0.00 C ATOM 401 CE1 PHE A 29 -7.078 4.062 -1.968 1.00 0.00 C ATOM 402 CE2 PHE A 29 -8.009 2.588 -3.604 1.00 0.00 C ATOM 403 CZ PHE A 29 -7.477 3.817 -3.268 1.00 0.00 C ATOM 0 H PHE A 29 -8.613 2.522 1.494 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.028 0.625 -0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.077 0.871 0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.768 -0.207 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.893 3.272 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.556 0.646 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.664 5.023 -1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.323 2.394 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.373 4.585 -4.020 1.00 0.00 H new ATOM 413 N GLY A 30 -9.293 -1.533 1.074 1.00 0.00 N ATOM 414 CA GLY A 30 -9.333 -2.647 2.004 1.00 0.00 C ATOM 415 C GLY A 30 -8.120 -3.546 1.882 1.00 0.00 C ATOM 416 O GLY A 30 -8.250 -4.765 1.762 1.00 0.00 O ATOM 0 H GLY A 30 -9.290 -1.797 0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.397 -2.264 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.235 -3.233 1.826 1.00 0.00 H new ATOM 420 N PHE A 31 -6.934 -2.946 1.912 1.00 0.00 N ATOM 421 CA PHE A 31 -5.692 -3.701 1.802 1.00 0.00 C ATOM 422 C PHE A 31 -4.563 -3.003 2.555 1.00 0.00 C ATOM 423 O PHE A 31 -4.266 -1.835 2.306 1.00 0.00 O ATOM 424 CB PHE A 31 -5.307 -3.878 0.332 1.00 0.00 C ATOM 425 CG PHE A 31 -4.697 -2.650 -0.281 1.00 0.00 C ATOM 426 CD1 PHE A 31 -3.356 -2.357 -0.091 1.00 0.00 C ATOM 427 CD2 PHE A 31 -5.466 -1.787 -1.046 1.00 0.00 C ATOM 428 CE1 PHE A 31 -2.793 -1.227 -0.654 1.00 0.00 C ATOM 429 CE2 PHE A 31 -4.907 -0.656 -1.611 1.00 0.00 C ATOM 430 CZ PHE A 31 -3.569 -0.375 -1.414 1.00 0.00 C ATOM 0 H PHE A 31 -6.808 -1.939 2.012 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.851 -4.682 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.602 -4.705 0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.195 -4.155 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.744 -3.019 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.513 -2.001 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.746 -1.011 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.516 0.008 -2.206 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.131 0.509 -1.853 1.00 0.00 H new ATOM 440 N ASN A 32 -3.937 -3.728 3.476 1.00 0.00 N ATOM 441 CA ASN A 32 -2.842 -3.179 4.267 1.00 0.00 C ATOM 442 C ASN A 32 -1.493 -3.620 3.707 1.00 0.00 C ATOM 443 O ASN A 32 -1.377 -4.688 3.106 1.00 0.00 O ATOM 444 CB ASN A 32 -2.969 -3.618 5.727 1.00 0.00 C ATOM 445 CG ASN A 32 -3.816 -2.663 6.546 1.00 0.00 C ATOM 446 OD1 ASN A 32 -4.540 -1.832 5.998 1.00 0.00 O ATOM 447 ND2 ASN A 32 -3.727 -2.778 7.866 1.00 0.00 N ATOM 0 H ASN A 32 -4.169 -4.697 3.693 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.899 -2.092 4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.408 -4.615 5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.976 -3.690 6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.272 -2.163 8.469 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.113 -3.482 8.276 1.00 0.00 H new ATOM 454 N VAL A 33 -0.474 -2.791 3.910 1.00 0.00 N ATOM 455 CA VAL A 33 0.868 -3.096 3.427 1.00 0.00 C ATOM 456 C VAL A 33 1.889 -3.016 4.556 1.00 0.00 C ATOM 457 O VAL A 33 1.717 -2.260 5.513 1.00 0.00 O ATOM 458 CB VAL A 33 1.290 -2.135 2.299 1.00 0.00 C ATOM 459 CG1 VAL A 33 0.266 -2.149 1.175 1.00 0.00 C ATOM 460 CG2 VAL A 33 1.480 -0.727 2.842 1.00 0.00 C ATOM 0 H VAL A 33 -0.552 -1.903 4.406 1.00 0.00 H new ATOM 0 HA VAL A 33 0.841 -4.113 3.037 1.00 0.00 H new ATOM 0 HB VAL A 33 2.243 -2.474 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.581 -1.464 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.186 -3.157 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.703 -1.835 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.778 -0.062 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.544 -0.375 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.255 -0.734 3.609 1.00 0.00 H new ATOM 470 N LYS A 34 2.955 -3.801 4.439 1.00 0.00 N ATOM 471 CA LYS A 34 4.007 -3.820 5.449 1.00 0.00 C ATOM 472 C LYS A 34 5.382 -3.927 4.799 1.00 0.00 C ATOM 473 O LYS A 34 5.573 -4.682 3.846 1.00 0.00 O ATOM 474 CB LYS A 34 3.795 -4.988 6.414 1.00 0.00 C ATOM 475 CG LYS A 34 3.748 -6.343 5.729 1.00 0.00 C ATOM 476 CD LYS A 34 3.784 -7.479 6.737 1.00 0.00 C ATOM 477 CE LYS A 34 3.596 -8.829 6.062 1.00 0.00 C ATOM 478 NZ LYS A 34 3.890 -9.958 6.988 1.00 0.00 N ATOM 0 H LYS A 34 3.113 -4.433 3.654 1.00 0.00 H new ATOM 0 HA LYS A 34 3.959 -2.884 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.599 -4.990 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.864 -4.833 6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.841 -6.417 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.592 -6.435 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.736 -7.466 7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.002 -7.331 7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.572 -8.914 5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.249 -8.894 5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.750 -10.860 6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.875 -9.892 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.250 -9.911 7.806 1.00 0.00 H new ATOM 492 N GLY A 35 6.340 -3.166 5.321 1.00 0.00 N ATOM 493 CA GLY A 35 7.686 -3.192 4.780 1.00 0.00 C ATOM 494 C GLY A 35 8.105 -1.853 4.205 1.00 0.00 C ATOM 495 O GLY A 35 7.272 -0.974 3.989 1.00 0.00 O ATOM 0 H GLY A 35 6.207 -2.532 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.384 -3.482 5.565 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.747 -3.953 4.002 1.00 0.00 H new ATOM 499 N GLY A 36 9.402 -1.697 3.958 1.00 0.00 N ATOM 500 CA GLY A 36 9.908 -0.452 3.409 1.00 0.00 C ATOM 501 C GLY A 36 11.423 -0.409 3.370 1.00 0.00 C ATOM 502 O GLY A 36 12.082 -1.447 3.441 1.00 0.00 O ATOM 0 H GLY A 36 10.111 -2.410 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.518 -0.318 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.539 0.382 4.007 1.00 0.00 H new ATOM 506 N TYR A 37 11.976 0.793 3.254 1.00 0.00 N ATOM 507 CA TYR A 37 13.423 0.966 3.201 1.00 0.00 C ATOM 508 C TYR A 37 14.033 0.885 4.597 1.00 0.00 C ATOM 509 O TYR A 37 15.087 0.279 4.791 1.00 0.00 O ATOM 510 CB TYR A 37 13.773 2.309 2.557 1.00 0.00 C ATOM 511 CG TYR A 37 15.104 2.868 3.007 1.00 0.00 C ATOM 512 CD1 TYR A 37 16.288 2.474 2.396 1.00 0.00 C ATOM 513 CD2 TYR A 37 15.177 3.790 4.044 1.00 0.00 C ATOM 514 CE1 TYR A 37 17.506 2.982 2.805 1.00 0.00 C ATOM 515 CE2 TYR A 37 16.390 4.304 4.458 1.00 0.00 C ATOM 516 CZ TYR A 37 17.552 3.897 3.836 1.00 0.00 C ATOM 517 OH TYR A 37 18.763 4.405 4.245 1.00 0.00 O ATOM 0 H TYR A 37 11.445 1.662 3.195 1.00 0.00 H new ATOM 0 HA TYR A 37 13.838 0.160 2.596 1.00 0.00 H new ATOM 0 HB2 TYR A 37 13.786 2.190 1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 37 12.989 3.029 2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 37 16.256 1.759 1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 37 14.270 4.110 4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 37 18.417 2.664 2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 37 16.429 5.021 5.265 1.00 0.00 H new ATOM 0 HH TYR A 37 18.621 5.037 4.980 1.00 0.00 H new ATOM 527 N ASP A 38 13.362 1.498 5.565 1.00 0.00 N ATOM 528 CA ASP A 38 13.835 1.494 6.945 1.00 0.00 C ATOM 529 C ASP A 38 13.848 0.078 7.511 1.00 0.00 C ATOM 530 O ASP A 38 14.732 -0.281 8.288 1.00 0.00 O ATOM 531 CB ASP A 38 12.954 2.395 7.811 1.00 0.00 C ATOM 532 CG ASP A 38 13.622 2.774 9.118 1.00 0.00 C ATOM 533 OD1 ASP A 38 14.602 3.547 9.082 1.00 0.00 O ATOM 534 OD2 ASP A 38 13.165 2.297 10.178 1.00 0.00 O ATOM 0 H ASP A 38 12.488 2.004 5.420 1.00 0.00 H new ATOM 0 HA ASP A 38 14.855 1.879 6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.709 3.300 7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.014 1.885 8.021 1.00 0.00 H new ATOM 539 N GLN A 39 12.862 -0.721 7.116 1.00 0.00 N ATOM 540 CA GLN A 39 12.759 -2.097 7.586 1.00 0.00 C ATOM 541 C GLN A 39 13.468 -3.053 6.632 1.00 0.00 C ATOM 542 O GLN A 39 13.318 -4.271 6.730 1.00 0.00 O ATOM 543 CB GLN A 39 11.291 -2.500 7.733 1.00 0.00 C ATOM 544 CG GLN A 39 10.602 -1.862 8.928 1.00 0.00 C ATOM 545 CD GLN A 39 11.062 -2.447 10.249 1.00 0.00 C ATOM 546 OE1 GLN A 39 12.208 -2.259 10.659 1.00 0.00 O ATOM 547 NE2 GLN A 39 10.169 -3.162 10.924 1.00 0.00 N ATOM 0 H GLN A 39 12.123 -0.439 6.472 1.00 0.00 H new ATOM 0 HA GLN A 39 13.244 -2.158 8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.755 -2.224 6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.228 -3.584 7.824 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.795 -0.789 8.923 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.524 -1.992 8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.230 -3.293 10.547 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.422 -3.580 11.819 1.00 0.00 H new ATOM 556 N LYS A 40 14.241 -2.493 5.707 1.00 0.00 N ATOM 557 CA LYS A 40 14.974 -3.294 4.734 1.00 0.00 C ATOM 558 C LYS A 40 14.176 -4.532 4.337 1.00 0.00 C ATOM 559 O LYS A 40 14.675 -5.654 4.415 1.00 0.00 O ATOM 560 CB LYS A 40 16.331 -3.711 5.306 1.00 0.00 C ATOM 561 CG LYS A 40 17.166 -2.543 5.804 1.00 0.00 C ATOM 562 CD LYS A 40 18.052 -1.983 4.704 1.00 0.00 C ATOM 563 CE LYS A 40 19.396 -2.694 4.655 1.00 0.00 C ATOM 564 NZ LYS A 40 19.361 -3.884 3.760 1.00 0.00 N ATOM 0 H LYS A 40 14.376 -1.487 5.611 1.00 0.00 H new ATOM 0 HA LYS A 40 15.133 -2.685 3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.171 -4.409 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.891 -4.246 4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.509 -1.758 6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.784 -2.867 6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.549 -2.086 3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.209 -0.917 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 40 20.161 -2.000 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.680 -3.004 5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.323 -4.097 3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.986 -4.701 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.749 -3.686 2.943 1.00 0.00 H new ATOM 578 N MET A 41 12.936 -4.319 3.909 1.00 0.00 N ATOM 579 CA MET A 41 12.071 -5.418 3.497 1.00 0.00 C ATOM 580 C MET A 41 11.107 -4.970 2.403 1.00 0.00 C ATOM 581 O MET A 41 10.746 -3.797 2.302 1.00 0.00 O ATOM 582 CB MET A 41 11.287 -5.955 4.695 1.00 0.00 C ATOM 583 CG MET A 41 10.086 -5.101 5.068 1.00 0.00 C ATOM 584 SD MET A 41 8.990 -5.920 6.243 1.00 0.00 S ATOM 585 CE MET A 41 7.876 -6.773 5.130 1.00 0.00 C ATOM 0 H MET A 41 12.508 -3.396 3.839 1.00 0.00 H new ATOM 0 HA MET A 41 12.701 -6.213 3.099 1.00 0.00 H new ATOM 0 HB2 MET A 41 10.948 -6.967 4.473 1.00 0.00 H new ATOM 0 HB3 MET A 41 11.954 -6.024 5.554 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.433 -4.160 5.495 1.00 0.00 H new ATOM 0 HG3 MET A 41 9.526 -4.854 4.166 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.075 -7.239 5.704 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.450 -6.060 4.425 1.00 0.00 H new ATOM 0 HE3 MET A 41 8.425 -7.540 4.583 1.00 0.00 H new ATOM 595 N PRO A 42 10.678 -5.924 1.563 1.00 0.00 N ATOM 596 CA PRO A 42 9.750 -5.650 0.462 1.00 0.00 C ATOM 597 C PRO A 42 8.346 -5.318 0.957 1.00 0.00 C ATOM 598 O PRO A 42 7.942 -5.741 2.040 1.00 0.00 O ATOM 599 CB PRO A 42 9.741 -6.961 -0.328 1.00 0.00 C ATOM 600 CG PRO A 42 10.116 -8.005 0.666 1.00 0.00 C ATOM 601 CD PRO A 42 11.066 -7.343 1.624 1.00 0.00 C ATOM 0 HA PRO A 42 10.057 -4.784 -0.125 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.759 -7.158 -0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.450 -6.929 -1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.236 -8.382 1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.586 -8.858 0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.965 -7.744 2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 42 12.104 -7.489 1.326 1.00 0.00 H new ATOM 609 N VAL A 43 7.606 -4.557 0.156 1.00 0.00 N ATOM 610 CA VAL A 43 6.247 -4.169 0.512 1.00 0.00 C ATOM 611 C VAL A 43 5.238 -5.217 0.055 1.00 0.00 C ATOM 612 O VAL A 43 4.943 -5.331 -1.135 1.00 0.00 O ATOM 613 CB VAL A 43 5.872 -2.808 -0.106 1.00 0.00 C ATOM 614 CG1 VAL A 43 4.484 -2.380 0.347 1.00 0.00 C ATOM 615 CG2 VAL A 43 6.908 -1.755 0.255 1.00 0.00 C ATOM 0 H VAL A 43 7.925 -4.197 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 43 6.215 -4.088 1.599 1.00 0.00 H new ATOM 0 HB VAL A 43 5.858 -2.913 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.236 -1.417 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.753 -3.125 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.467 -2.292 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.627 -0.800 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.957 -1.650 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.883 -2.059 -0.125 1.00 0.00 H new ATOM 625 N ILE A 44 4.714 -5.980 1.008 1.00 0.00 N ATOM 626 CA ILE A 44 3.737 -7.018 0.704 1.00 0.00 C ATOM 627 C ILE A 44 2.437 -6.790 1.467 1.00 0.00 C ATOM 628 O ILE A 44 2.449 -6.374 2.626 1.00 0.00 O ATOM 629 CB ILE A 44 4.280 -8.419 1.043 1.00 0.00 C ATOM 630 CG1 ILE A 44 5.462 -8.765 0.136 1.00 0.00 C ATOM 631 CG2 ILE A 44 3.179 -9.460 0.909 1.00 0.00 C ATOM 632 CD1 ILE A 44 6.791 -8.262 0.656 1.00 0.00 C ATOM 0 H ILE A 44 4.950 -5.899 1.997 1.00 0.00 H new ATOM 0 HA ILE A 44 3.541 -6.963 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 44 4.628 -8.418 2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.514 -9.847 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.285 -8.344 -0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.578 -10.445 1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.365 -9.219 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.803 -9.463 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.583 -8.544 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.758 -7.176 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.990 -8.703 1.633 1.00 0.00 H new ATOM 644 N VAL A 45 1.315 -7.068 0.810 1.00 0.00 N ATOM 645 CA VAL A 45 0.005 -6.897 1.428 1.00 0.00 C ATOM 646 C VAL A 45 -0.054 -7.581 2.789 1.00 0.00 C ATOM 647 O VAL A 45 -0.181 -8.802 2.876 1.00 0.00 O ATOM 648 CB VAL A 45 -1.115 -7.460 0.533 1.00 0.00 C ATOM 649 CG1 VAL A 45 -2.441 -7.464 1.277 1.00 0.00 C ATOM 650 CG2 VAL A 45 -1.220 -6.658 -0.756 1.00 0.00 C ATOM 0 H VAL A 45 1.287 -7.412 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.147 -5.825 1.557 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.867 -8.490 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.220 -7.865 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.356 -8.085 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.699 -6.445 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.016 -7.069 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.444 -5.618 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.275 -6.712 -1.296 1.00 0.00 H new ATOM 660 N SER A 46 0.037 -6.785 3.850 1.00 0.00 N ATOM 661 CA SER A 46 -0.003 -7.314 5.208 1.00 0.00 C ATOM 662 C SER A 46 -1.264 -8.143 5.431 1.00 0.00 C ATOM 663 O SER A 46 -1.196 -9.355 5.636 1.00 0.00 O ATOM 664 CB SER A 46 0.057 -6.173 6.225 1.00 0.00 C ATOM 665 OG SER A 46 0.246 -6.669 7.538 1.00 0.00 O ATOM 0 H SER A 46 0.139 -5.772 3.795 1.00 0.00 H new ATOM 0 HA SER A 46 0.865 -7.959 5.345 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.871 -5.495 5.968 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.865 -5.594 6.181 1.00 0.00 H new ATOM 0 HG SER A 46 0.283 -5.920 8.169 1.00 0.00 H new ATOM 671 N ARG A 47 -2.415 -7.480 5.389 1.00 0.00 N ATOM 672 CA ARG A 47 -3.693 -8.154 5.588 1.00 0.00 C ATOM 673 C ARG A 47 -4.767 -7.561 4.680 1.00 0.00 C ATOM 674 O ARG A 47 -4.697 -6.393 4.299 1.00 0.00 O ATOM 675 CB ARG A 47 -4.129 -8.045 7.050 1.00 0.00 C ATOM 676 CG ARG A 47 -5.089 -9.142 7.482 1.00 0.00 C ATOM 677 CD ARG A 47 -4.368 -10.466 7.683 1.00 0.00 C ATOM 678 NE ARG A 47 -5.014 -11.292 8.700 1.00 0.00 N ATOM 679 CZ ARG A 47 -6.079 -12.050 8.463 1.00 0.00 C ATOM 680 NH1 ARG A 47 -6.615 -12.086 7.251 1.00 0.00 N ATOM 681 NH2 ARG A 47 -6.609 -12.774 9.441 1.00 0.00 N ATOM 0 H ARG A 47 -2.489 -6.477 5.219 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.565 -9.206 5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.245 -8.075 7.687 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.603 -7.076 7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.582 -8.851 8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.869 -9.262 6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.339 -11.010 6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.335 -10.276 7.973 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.626 -11.286 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.210 -11.531 6.497 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.433 -12.669 7.072 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.199 -12.748 10.374 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.427 -13.356 9.259 1.00 0.00 H new ATOM 695 N VAL A 48 -5.760 -8.376 4.337 1.00 0.00 N ATOM 696 CA VAL A 48 -6.849 -7.933 3.475 1.00 0.00 C ATOM 697 C VAL A 48 -8.200 -8.381 4.022 1.00 0.00 C ATOM 698 O VAL A 48 -8.420 -9.567 4.265 1.00 0.00 O ATOM 699 CB VAL A 48 -6.684 -8.471 2.041 1.00 0.00 C ATOM 700 CG1 VAL A 48 -7.788 -7.939 1.140 1.00 0.00 C ATOM 701 CG2 VAL A 48 -5.313 -8.107 1.490 1.00 0.00 C ATOM 0 H VAL A 48 -5.832 -9.346 4.643 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.812 -6.844 3.453 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.763 -9.558 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.654 -8.330 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.757 -8.255 1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.745 -6.850 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.214 -8.495 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.203 -7.023 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.539 -8.542 2.123 1.00 0.00 H new ATOM 711 N ALA A 49 -9.101 -7.423 4.212 1.00 0.00 N ATOM 712 CA ALA A 49 -10.432 -7.719 4.728 1.00 0.00 C ATOM 713 C ALA A 49 -11.429 -7.922 3.592 1.00 0.00 C ATOM 714 O ALA A 49 -11.291 -7.361 2.504 1.00 0.00 O ATOM 715 CB ALA A 49 -10.901 -6.603 5.650 1.00 0.00 C ATOM 0 H ALA A 49 -8.934 -6.436 4.017 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.375 -8.647 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.896 -6.837 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.209 -6.507 6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.935 -5.664 5.097 1.00 0.00 H new ATOM 721 N PRO A 50 -12.458 -8.744 3.846 1.00 0.00 N ATOM 722 CA PRO A 50 -13.497 -9.041 2.856 1.00 0.00 C ATOM 723 C PRO A 50 -14.397 -7.840 2.583 1.00 0.00 C ATOM 724 O PRO A 50 -14.225 -6.776 3.176 1.00 0.00 O ATOM 725 CB PRO A 50 -14.297 -10.171 3.509 1.00 0.00 C ATOM 726 CG PRO A 50 -14.079 -9.993 4.972 1.00 0.00 C ATOM 727 CD PRO A 50 -12.685 -9.447 5.119 1.00 0.00 C ATOM 0 HA PRO A 50 -13.073 -9.305 1.887 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.355 -10.105 3.255 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -13.949 -11.148 3.173 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -14.813 -9.308 5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.185 -10.940 5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.606 -8.771 5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -11.956 -10.242 5.274 1.00 0.00 H new ATOM 735 N GLY A 51 -15.357 -8.019 1.681 1.00 0.00 N ATOM 736 CA GLY A 51 -16.270 -6.941 1.346 1.00 0.00 C ATOM 737 C GLY A 51 -15.557 -5.619 1.143 1.00 0.00 C ATOM 738 O GLY A 51 -15.984 -4.588 1.663 1.00 0.00 O ATOM 0 H GLY A 51 -15.519 -8.890 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.815 -7.200 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.008 -6.834 2.141 1.00 0.00 H new ATOM 742 N THR A 52 -14.465 -5.648 0.385 1.00 0.00 N ATOM 743 CA THR A 52 -13.689 -4.444 0.117 1.00 0.00 C ATOM 744 C THR A 52 -13.398 -4.297 -1.372 1.00 0.00 C ATOM 745 O THR A 52 -13.365 -5.273 -2.122 1.00 0.00 O ATOM 746 CB THR A 52 -12.357 -4.450 0.890 1.00 0.00 C ATOM 747 OG1 THR A 52 -11.706 -5.716 0.735 1.00 0.00 O ATOM 748 CG2 THR A 52 -12.587 -4.171 2.368 1.00 0.00 C ATOM 0 H THR A 52 -14.098 -6.493 -0.054 1.00 0.00 H new ATOM 0 HA THR A 52 -14.291 -3.600 0.452 1.00 0.00 H new ATOM 0 HB THR A 52 -11.723 -3.663 0.482 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.930 -6.294 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.632 -4.180 2.893 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.056 -3.194 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.238 -4.939 2.786 1.00 0.00 H new ATOM 756 N PRO A 53 -13.182 -3.049 -1.814 1.00 0.00 N ATOM 757 CA PRO A 53 -12.889 -2.745 -3.217 1.00 0.00 C ATOM 758 C PRO A 53 -11.510 -3.239 -3.642 1.00 0.00 C ATOM 759 O PRO A 53 -11.102 -3.059 -4.788 1.00 0.00 O ATOM 760 CB PRO A 53 -12.950 -1.217 -3.270 1.00 0.00 C ATOM 761 CG PRO A 53 -12.642 -0.778 -1.880 1.00 0.00 C ATOM 762 CD PRO A 53 -13.207 -1.838 -0.976 1.00 0.00 C ATOM 0 HA PRO A 53 -13.587 -3.236 -3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.228 -0.816 -3.981 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.934 -0.871 -3.586 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.567 -0.672 -1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.089 0.193 -1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.606 -1.960 -0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.219 -1.593 -0.653 1.00 0.00 H new ATOM 770 N ALA A 54 -10.798 -3.863 -2.709 1.00 0.00 N ATOM 771 CA ALA A 54 -9.465 -4.385 -2.988 1.00 0.00 C ATOM 772 C ALA A 54 -9.488 -5.903 -3.126 1.00 0.00 C ATOM 773 O ALA A 54 -8.546 -6.504 -3.641 1.00 0.00 O ATOM 774 CB ALA A 54 -8.495 -3.967 -1.893 1.00 0.00 C ATOM 0 H ALA A 54 -11.121 -4.019 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.128 -3.965 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.504 -4.363 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.448 -2.879 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.837 -4.359 -0.935 1.00 0.00 H new ATOM 780 N ASP A 55 -10.570 -6.519 -2.661 1.00 0.00 N ATOM 781 CA ASP A 55 -10.716 -7.968 -2.732 1.00 0.00 C ATOM 782 C ASP A 55 -11.644 -8.365 -3.876 1.00 0.00 C ATOM 783 O ASP A 55 -11.254 -9.112 -4.775 1.00 0.00 O ATOM 784 CB ASP A 55 -11.255 -8.514 -1.409 1.00 0.00 C ATOM 785 CG ASP A 55 -10.893 -9.970 -1.193 1.00 0.00 C ATOM 786 OD1 ASP A 55 -9.809 -10.234 -0.633 1.00 0.00 O ATOM 787 OD2 ASP A 55 -11.693 -10.845 -1.585 1.00 0.00 O ATOM 0 H ASP A 55 -11.359 -6.037 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.732 -8.398 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.860 -7.919 -0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.339 -8.406 -1.389 1.00 0.00 H new ATOM 792 N LEU A 56 -12.872 -7.861 -3.837 1.00 0.00 N ATOM 793 CA LEU A 56 -13.857 -8.164 -4.870 1.00 0.00 C ATOM 794 C LEU A 56 -13.304 -7.853 -6.257 1.00 0.00 C ATOM 795 O LEU A 56 -13.842 -8.308 -7.267 1.00 0.00 O ATOM 796 CB LEU A 56 -15.139 -7.366 -4.629 1.00 0.00 C ATOM 797 CG LEU A 56 -15.753 -7.486 -3.234 1.00 0.00 C ATOM 798 CD1 LEU A 56 -16.566 -6.246 -2.899 1.00 0.00 C ATOM 799 CD2 LEU A 56 -16.618 -8.735 -3.138 1.00 0.00 C ATOM 0 H LEU A 56 -13.210 -7.241 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.084 -9.229 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.930 -6.314 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.883 -7.683 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.944 -7.571 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.995 -6.350 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.919 -5.369 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.367 -6.128 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.047 -8.805 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.420 -8.680 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -16.007 -9.616 -3.333 1.00 0.00 H new ATOM 811 N CYS A 57 -12.226 -7.077 -6.298 1.00 0.00 N ATOM 812 CA CYS A 57 -11.599 -6.706 -7.562 1.00 0.00 C ATOM 813 C CYS A 57 -10.926 -7.912 -8.210 1.00 0.00 C ATOM 814 O CYS A 57 -10.802 -8.971 -7.595 1.00 0.00 O ATOM 815 CB CYS A 57 -10.574 -5.593 -7.339 1.00 0.00 C ATOM 816 SG CYS A 57 -9.043 -6.147 -6.553 1.00 0.00 S ATOM 0 H CYS A 57 -11.768 -6.693 -5.471 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.378 -6.344 -8.233 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.333 -5.138 -8.300 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.026 -4.816 -6.723 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.299 -6.562 -5.348 1.00 0.00 H new ATOM 822 N VAL A 58 -10.495 -7.745 -9.456 1.00 0.00 N ATOM 823 CA VAL A 58 -9.836 -8.819 -10.188 1.00 0.00 C ATOM 824 C VAL A 58 -8.686 -8.284 -11.034 1.00 0.00 C ATOM 825 O VAL A 58 -8.826 -7.303 -11.766 1.00 0.00 O ATOM 826 CB VAL A 58 -10.826 -9.567 -11.101 1.00 0.00 C ATOM 827 CG1 VAL A 58 -11.543 -8.592 -12.023 1.00 0.00 C ATOM 828 CG2 VAL A 58 -10.105 -10.639 -11.903 1.00 0.00 C ATOM 0 H VAL A 58 -10.591 -6.875 -9.980 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.444 -9.513 -9.445 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.573 -10.055 -10.475 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.238 -9.138 -12.661 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.093 -7.864 -11.426 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.812 -8.074 -12.644 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.820 -11.157 -12.542 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.335 -10.176 -12.520 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.643 -11.354 -11.222 1.00 0.00 H new ATOM 838 N PRO A 59 -7.521 -8.940 -10.933 1.00 0.00 N ATOM 839 CA PRO A 59 -7.343 -10.108 -10.065 1.00 0.00 C ATOM 840 C PRO A 59 -7.376 -9.740 -8.585 1.00 0.00 C ATOM 841 O PRO A 59 -6.742 -8.773 -8.162 1.00 0.00 O ATOM 842 CB PRO A 59 -5.959 -10.632 -10.455 1.00 0.00 C ATOM 843 CG PRO A 59 -5.241 -9.443 -10.993 1.00 0.00 C ATOM 844 CD PRO A 59 -6.288 -8.594 -11.659 1.00 0.00 C ATOM 0 HA PRO A 59 -8.142 -10.838 -10.194 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.438 -11.053 -9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.031 -11.422 -11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.743 -8.893 -10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.470 -9.741 -11.704 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.057 -7.532 -11.575 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.371 -8.819 -12.722 1.00 0.00 H new ATOM 852 N ARG A 60 -8.118 -10.518 -7.803 1.00 0.00 N ATOM 853 CA ARG A 60 -8.233 -10.273 -6.370 1.00 0.00 C ATOM 854 C ARG A 60 -6.865 -9.994 -5.755 1.00 0.00 C ATOM 855 O ARG A 60 -5.863 -10.596 -6.143 1.00 0.00 O ATOM 856 CB ARG A 60 -8.881 -11.472 -5.677 1.00 0.00 C ATOM 857 CG ARG A 60 -8.869 -11.378 -4.160 1.00 0.00 C ATOM 858 CD ARG A 60 -9.255 -12.701 -3.517 1.00 0.00 C ATOM 859 NE ARG A 60 -8.712 -12.833 -2.167 1.00 0.00 N ATOM 860 CZ ARG A 60 -8.886 -13.908 -1.407 1.00 0.00 C ATOM 861 NH1 ARG A 60 -9.584 -14.940 -1.861 1.00 0.00 N ATOM 862 NH2 ARG A 60 -8.361 -13.953 -0.189 1.00 0.00 N ATOM 0 H ARG A 60 -8.648 -11.323 -8.137 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.863 -9.395 -6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.912 -11.565 -6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.361 -12.381 -5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.876 -11.083 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.560 -10.600 -3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.341 -12.783 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.894 -13.523 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.170 -12.057 -1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.989 -14.910 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.716 -15.764 -1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.823 -13.161 0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.495 -14.779 0.394 1.00 0.00 H new ATOM 876 N LEU A 61 -6.830 -9.078 -4.793 1.00 0.00 N ATOM 877 CA LEU A 61 -5.585 -8.718 -4.124 1.00 0.00 C ATOM 878 C LEU A 61 -5.368 -9.576 -2.881 1.00 0.00 C ATOM 879 O LEU A 61 -5.718 -9.177 -1.771 1.00 0.00 O ATOM 880 CB LEU A 61 -5.599 -7.238 -3.739 1.00 0.00 C ATOM 881 CG LEU A 61 -4.260 -6.646 -3.299 1.00 0.00 C ATOM 882 CD1 LEU A 61 -3.237 -6.747 -4.420 1.00 0.00 C ATOM 883 CD2 LEU A 61 -4.434 -5.198 -2.863 1.00 0.00 C ATOM 0 H LEU A 61 -7.650 -8.571 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.763 -8.899 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.964 -6.665 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.317 -7.100 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.894 -7.220 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.290 -6.321 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.090 -7.794 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.596 -6.199 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.471 -4.793 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.823 -4.612 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.133 -5.151 -2.028 1.00 0.00 H new ATOM 895 N ASN A 62 -4.787 -10.755 -3.076 1.00 0.00 N ATOM 896 CA ASN A 62 -4.521 -11.668 -1.971 1.00 0.00 C ATOM 897 C ASN A 62 -3.146 -11.404 -1.365 1.00 0.00 C ATOM 898 O ASN A 62 -2.210 -11.025 -2.069 1.00 0.00 O ATOM 899 CB ASN A 62 -4.610 -13.119 -2.448 1.00 0.00 C ATOM 900 CG ASN A 62 -3.789 -14.062 -1.590 1.00 0.00 C ATOM 901 OD1 ASN A 62 -4.071 -14.245 -0.405 1.00 0.00 O ATOM 902 ND2 ASN A 62 -2.767 -14.666 -2.185 1.00 0.00 N ATOM 0 H ASN A 62 -4.491 -11.101 -3.989 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.275 -11.498 -1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.652 -13.438 -2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.267 -13.181 -3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.179 -15.311 -1.658 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.570 -14.485 -3.169 1.00 0.00 H new ATOM 909 N GLU A 63 -3.033 -11.608 -0.057 1.00 0.00 N ATOM 910 CA GLU A 63 -1.772 -11.392 0.643 1.00 0.00 C ATOM 911 C GLU A 63 -0.609 -12.011 -0.127 1.00 0.00 C ATOM 912 O GLU A 63 -0.800 -12.913 -0.941 1.00 0.00 O ATOM 913 CB GLU A 63 -1.837 -11.983 2.053 1.00 0.00 C ATOM 914 CG GLU A 63 -2.920 -11.366 2.922 1.00 0.00 C ATOM 915 CD GLU A 63 -4.256 -12.068 2.775 1.00 0.00 C ATOM 916 OE1 GLU A 63 -4.377 -12.930 1.879 1.00 0.00 O ATOM 917 OE2 GLU A 63 -5.180 -11.755 3.554 1.00 0.00 O ATOM 0 H GLU A 63 -3.798 -11.922 0.539 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.606 -10.317 0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.009 -13.057 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.871 -11.847 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.608 -11.402 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.036 -10.314 2.660 1.00 0.00 H new ATOM 924 N GLY A 64 0.598 -11.518 0.137 1.00 0.00 N ATOM 925 CA GLY A 64 1.774 -12.033 -0.539 1.00 0.00 C ATOM 926 C GLY A 64 2.104 -11.259 -1.799 1.00 0.00 C ATOM 927 O GLY A 64 3.274 -11.026 -2.104 1.00 0.00 O ATOM 0 H GLY A 64 0.782 -10.771 0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.626 -11.995 0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.614 -13.081 -0.792 1.00 0.00 H new ATOM 931 N ASP A 65 1.072 -10.860 -2.535 1.00 0.00 N ATOM 932 CA ASP A 65 1.258 -10.108 -3.770 1.00 0.00 C ATOM 933 C ASP A 65 2.091 -8.854 -3.522 1.00 0.00 C ATOM 934 O ASP A 65 1.549 -7.774 -3.291 1.00 0.00 O ATOM 935 CB ASP A 65 -0.096 -9.725 -4.368 1.00 0.00 C ATOM 936 CG ASP A 65 -0.834 -10.919 -4.941 1.00 0.00 C ATOM 937 OD1 ASP A 65 -0.248 -11.629 -5.785 1.00 0.00 O ATOM 938 OD2 ASP A 65 -1.998 -11.143 -4.546 1.00 0.00 O ATOM 0 H ASP A 65 0.098 -11.045 -2.297 1.00 0.00 H new ATOM 0 HA ASP A 65 1.792 -10.744 -4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.710 -9.257 -3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.053 -8.983 -5.152 1.00 0.00 H new ATOM 943 N GLN A 66 3.411 -9.007 -3.571 1.00 0.00 N ATOM 944 CA GLN A 66 4.318 -7.887 -3.349 1.00 0.00 C ATOM 945 C GLN A 66 3.992 -6.729 -4.287 1.00 0.00 C ATOM 946 O GLN A 66 3.492 -6.935 -5.393 1.00 0.00 O ATOM 947 CB GLN A 66 5.768 -8.330 -3.551 1.00 0.00 C ATOM 948 CG GLN A 66 6.787 -7.279 -3.144 1.00 0.00 C ATOM 949 CD GLN A 66 8.200 -7.648 -3.552 1.00 0.00 C ATOM 950 OE1 GLN A 66 8.623 -8.794 -3.401 1.00 0.00 O ATOM 951 NE2 GLN A 66 8.940 -6.675 -4.072 1.00 0.00 N ATOM 0 H GLN A 66 3.875 -9.895 -3.762 1.00 0.00 H new ATOM 0 HA GLN A 66 4.190 -7.546 -2.322 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.945 -9.238 -2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.919 -8.583 -4.600 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.520 -6.324 -3.597 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.749 -7.141 -2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.549 -5.739 -4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.899 -6.864 -4.364 1.00 0.00 H new ATOM 960 N VAL A 67 4.279 -5.512 -3.838 1.00 0.00 N ATOM 961 CA VAL A 67 4.017 -4.321 -4.638 1.00 0.00 C ATOM 962 C VAL A 67 5.299 -3.792 -5.272 1.00 0.00 C ATOM 963 O VAL A 67 6.139 -3.197 -4.597 1.00 0.00 O ATOM 964 CB VAL A 67 3.379 -3.205 -3.790 1.00 0.00 C ATOM 965 CG1 VAL A 67 3.106 -1.975 -4.643 1.00 0.00 C ATOM 966 CG2 VAL A 67 2.101 -3.701 -3.132 1.00 0.00 C ATOM 0 H VAL A 67 4.693 -5.324 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 67 3.320 -4.614 -5.423 1.00 0.00 H new ATOM 0 HB VAL A 67 4.080 -2.924 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.655 -1.197 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.043 -1.608 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.424 -2.237 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.664 -2.900 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.393 -4.010 -3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.330 -4.549 -2.487 1.00 0.00 H new ATOM 976 N VAL A 68 5.443 -4.013 -6.575 1.00 0.00 N ATOM 977 CA VAL A 68 6.622 -3.557 -7.302 1.00 0.00 C ATOM 978 C VAL A 68 6.587 -2.048 -7.515 1.00 0.00 C ATOM 979 O VAL A 68 7.557 -1.346 -7.224 1.00 0.00 O ATOM 980 CB VAL A 68 6.742 -4.255 -8.670 1.00 0.00 C ATOM 981 CG1 VAL A 68 7.947 -3.728 -9.434 1.00 0.00 C ATOM 982 CG2 VAL A 68 6.831 -5.763 -8.492 1.00 0.00 C ATOM 0 H VAL A 68 4.758 -4.505 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 68 7.489 -3.815 -6.693 1.00 0.00 H new ATOM 0 HB VAL A 68 5.847 -4.033 -9.252 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.016 -4.232 -10.398 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.836 -2.655 -9.593 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.854 -3.918 -8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.915 -6.240 -9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.707 -6.007 -7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.934 -6.123 -7.988 1.00 0.00 H new ATOM 992 N LEU A 69 5.464 -1.554 -8.024 1.00 0.00 N ATOM 993 CA LEU A 69 5.301 -0.126 -8.276 1.00 0.00 C ATOM 994 C LEU A 69 3.852 0.302 -8.066 1.00 0.00 C ATOM 995 O LEU A 69 2.924 -0.379 -8.503 1.00 0.00 O ATOM 996 CB LEU A 69 5.745 0.214 -9.700 1.00 0.00 C ATOM 997 CG LEU A 69 7.246 0.122 -9.975 1.00 0.00 C ATOM 998 CD1 LEU A 69 7.516 0.136 -11.472 1.00 0.00 C ATOM 999 CD2 LEU A 69 7.986 1.260 -9.287 1.00 0.00 C ATOM 0 H LEU A 69 4.653 -2.121 -8.270 1.00 0.00 H new ATOM 0 HA LEU A 69 5.927 0.417 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.228 -0.454 -10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.415 1.227 -9.930 1.00 0.00 H new ATOM 0 HG LEU A 69 7.613 -0.821 -9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.590 0.070 -11.649 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.018 -0.714 -11.939 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.134 1.062 -11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.053 1.178 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.616 2.214 -9.662 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.820 1.204 -8.211 1.00 0.00 H new ATOM 1011 N ILE A 70 3.666 1.436 -7.399 1.00 0.00 N ATOM 1012 CA ILE A 70 2.331 1.956 -7.135 1.00 0.00 C ATOM 1013 C ILE A 70 2.024 3.159 -8.021 1.00 0.00 C ATOM 1014 O ILE A 70 2.781 4.128 -8.053 1.00 0.00 O ATOM 1015 CB ILE A 70 2.167 2.366 -5.659 1.00 0.00 C ATOM 1016 CG1 ILE A 70 2.280 1.140 -4.751 1.00 0.00 C ATOM 1017 CG2 ILE A 70 0.834 3.067 -5.449 1.00 0.00 C ATOM 1018 CD1 ILE A 70 2.496 1.484 -3.294 1.00 0.00 C ATOM 0 H ILE A 70 4.423 2.012 -7.032 1.00 0.00 H new ATOM 0 HA ILE A 70 1.630 1.152 -7.361 1.00 0.00 H new ATOM 0 HB ILE A 70 2.965 3.061 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.372 0.544 -4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.106 0.518 -5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.733 3.350 -4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.790 3.960 -6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.022 2.394 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.567 0.566 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.419 2.054 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.658 2.080 -2.933 1.00 0.00 H new ATOM 1030 N ASN A 71 0.908 3.088 -8.740 1.00 0.00 N ATOM 1031 CA ASN A 71 0.500 4.172 -9.626 1.00 0.00 C ATOM 1032 C ASN A 71 1.661 4.616 -10.512 1.00 0.00 C ATOM 1033 O ASN A 71 1.708 5.759 -10.964 1.00 0.00 O ATOM 1034 CB ASN A 71 -0.017 5.358 -8.811 1.00 0.00 C ATOM 1035 CG ASN A 71 -1.354 5.070 -8.155 1.00 0.00 C ATOM 1036 OD1 ASN A 71 -1.443 4.944 -6.933 1.00 0.00 O ATOM 1037 ND2 ASN A 71 -2.400 4.964 -8.965 1.00 0.00 N ATOM 0 H ASN A 71 0.271 2.292 -8.726 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.302 3.803 -10.266 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.713 5.614 -8.044 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.114 6.227 -9.461 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.325 4.771 -8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.279 5.076 -9.972 1.00 0.00 H new ATOM 1044 N GLY A 72 2.595 3.702 -10.756 1.00 0.00 N ATOM 1045 CA GLY A 72 3.743 4.019 -11.587 1.00 0.00 C ATOM 1046 C GLY A 72 4.761 4.879 -10.865 1.00 0.00 C ATOM 1047 O GLY A 72 5.399 5.739 -11.473 1.00 0.00 O ATOM 0 H GLY A 72 2.578 2.749 -10.394 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.219 3.094 -11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.406 4.537 -12.485 1.00 0.00 H new ATOM 1051 N ARG A 73 4.913 4.649 -9.565 1.00 0.00 N ATOM 1052 CA ARG A 73 5.859 5.412 -8.760 1.00 0.00 C ATOM 1053 C ARG A 73 6.739 4.482 -7.929 1.00 0.00 C ATOM 1054 O ARG A 73 6.328 3.379 -7.570 1.00 0.00 O ATOM 1055 CB ARG A 73 5.114 6.382 -7.842 1.00 0.00 C ATOM 1056 CG ARG A 73 5.988 7.502 -7.301 1.00 0.00 C ATOM 1057 CD ARG A 73 6.063 8.669 -8.273 1.00 0.00 C ATOM 1058 NE ARG A 73 4.883 9.525 -8.192 1.00 0.00 N ATOM 1059 CZ ARG A 73 4.740 10.648 -8.888 1.00 0.00 C ATOM 1060 NH1 ARG A 73 5.698 11.047 -9.713 1.00 0.00 N ATOM 1061 NH2 ARG A 73 3.636 11.373 -8.761 1.00 0.00 N ATOM 0 H ARG A 73 4.393 3.941 -9.047 1.00 0.00 H new ATOM 0 HA ARG A 73 6.497 5.981 -9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.278 6.817 -8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.692 5.825 -7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.590 7.847 -6.347 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.991 7.122 -7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.955 9.260 -8.062 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.166 8.288 -9.289 1.00 0.00 H new ATOM 0 HE ARG A 73 4.127 9.246 -7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.547 10.492 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.586 11.909 -10.246 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.896 11.069 -8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.527 12.235 -9.296 1.00 0.00 H new ATOM 1075 N ASP A 74 7.951 4.936 -7.627 1.00 0.00 N ATOM 1076 CA ASP A 74 8.889 4.146 -6.838 1.00 0.00 C ATOM 1077 C ASP A 74 8.568 4.249 -5.350 1.00 0.00 C ATOM 1078 O ASP A 74 8.581 5.338 -4.777 1.00 0.00 O ATOM 1079 CB ASP A 74 10.323 4.610 -7.097 1.00 0.00 C ATOM 1080 CG ASP A 74 10.534 6.068 -6.738 1.00 0.00 C ATOM 1081 OD1 ASP A 74 9.554 6.839 -6.792 1.00 0.00 O ATOM 1082 OD2 ASP A 74 11.679 6.437 -6.404 1.00 0.00 O ATOM 0 H ASP A 74 8.307 5.847 -7.917 1.00 0.00 H new ATOM 0 HA ASP A 74 8.793 3.103 -7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.011 3.993 -6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.566 4.459 -8.149 1.00 0.00 H new ATOM 1087 N ILE A 75 8.280 3.109 -4.732 1.00 0.00 N ATOM 1088 CA ILE A 75 7.956 3.071 -3.312 1.00 0.00 C ATOM 1089 C ILE A 75 8.949 2.204 -2.544 1.00 0.00 C ATOM 1090 O ILE A 75 8.767 1.937 -1.357 1.00 0.00 O ATOM 1091 CB ILE A 75 6.532 2.535 -3.073 1.00 0.00 C ATOM 1092 CG1 ILE A 75 6.402 1.111 -3.618 1.00 0.00 C ATOM 1093 CG2 ILE A 75 5.506 3.452 -3.720 1.00 0.00 C ATOM 1094 CD1 ILE A 75 6.754 0.042 -2.608 1.00 0.00 C ATOM 0 H ILE A 75 8.264 2.199 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 75 8.015 4.097 -2.948 1.00 0.00 H new ATOM 0 HB ILE A 75 6.343 2.512 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.379 0.954 -3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.049 1.004 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.505 3.060 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.587 4.450 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.690 3.504 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.639 -0.941 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.786 0.173 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.091 0.122 -1.747 1.00 0.00 H new ATOM 1106 N ALA A 76 10.001 1.770 -3.231 1.00 0.00 N ATOM 1107 CA ALA A 76 11.025 0.937 -2.613 1.00 0.00 C ATOM 1108 C ALA A 76 11.868 1.741 -1.629 1.00 0.00 C ATOM 1109 O ALA A 76 12.101 1.310 -0.501 1.00 0.00 O ATOM 1110 CB ALA A 76 11.911 0.311 -3.681 1.00 0.00 C ATOM 0 H ALA A 76 10.166 1.981 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 76 10.526 0.143 -2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.671 -0.309 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.303 -0.305 -4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.394 1.098 -4.260 1.00 0.00 H new ATOM 1116 N GLU A 77 12.321 2.912 -2.065 1.00 0.00 N ATOM 1117 CA GLU A 77 13.140 3.776 -1.222 1.00 0.00 C ATOM 1118 C GLU A 77 12.302 4.403 -0.111 1.00 0.00 C ATOM 1119 O GLU A 77 12.804 4.682 0.978 1.00 0.00 O ATOM 1120 CB GLU A 77 13.796 4.874 -2.062 1.00 0.00 C ATOM 1121 CG GLU A 77 14.561 5.895 -1.238 1.00 0.00 C ATOM 1122 CD GLU A 77 15.973 5.445 -0.917 1.00 0.00 C ATOM 1123 OE1 GLU A 77 16.125 4.420 -0.220 1.00 0.00 O ATOM 1124 OE2 GLU A 77 16.927 6.118 -1.362 1.00 0.00 O ATOM 0 H GLU A 77 12.135 3.284 -2.996 1.00 0.00 H new ATOM 0 HA GLU A 77 13.918 3.164 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.477 4.414 -2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.026 5.388 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.599 6.839 -1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.023 6.083 -0.309 1.00 0.00 H new ATOM 1131 N HIS A 78 11.022 4.622 -0.394 1.00 0.00 N ATOM 1132 CA HIS A 78 10.114 5.216 0.580 1.00 0.00 C ATOM 1133 C HIS A 78 9.851 4.253 1.734 1.00 0.00 C ATOM 1134 O HIS A 78 9.700 3.048 1.530 1.00 0.00 O ATOM 1135 CB HIS A 78 8.794 5.601 -0.089 1.00 0.00 C ATOM 1136 CG HIS A 78 8.954 6.593 -1.200 1.00 0.00 C ATOM 1137 ND1 HIS A 78 8.558 7.910 -1.096 1.00 0.00 N ATOM 1138 CD2 HIS A 78 9.471 6.455 -2.443 1.00 0.00 C ATOM 1139 CE1 HIS A 78 8.823 8.538 -2.227 1.00 0.00 C ATOM 1140 NE2 HIS A 78 9.378 7.677 -3.061 1.00 0.00 N ATOM 0 H HIS A 78 10.590 4.397 -1.290 1.00 0.00 H new ATOM 0 HA HIS A 78 10.585 6.114 0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.319 4.702 -0.481 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.122 6.015 0.663 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.881 5.551 -2.869 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.620 9.578 -2.435 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.687 7.886 -4.010 1.00 0.00 H new ATOM 1149 N THR A 79 9.797 4.793 2.948 1.00 0.00 N ATOM 1150 CA THR A 79 9.554 3.983 4.135 1.00 0.00 C ATOM 1151 C THR A 79 8.085 3.590 4.242 1.00 0.00 C ATOM 1152 O THR A 79 7.212 4.257 3.684 1.00 0.00 O ATOM 1153 CB THR A 79 9.970 4.726 5.418 1.00 0.00 C ATOM 1154 OG1 THR A 79 9.184 5.914 5.572 1.00 0.00 O ATOM 1155 CG2 THR A 79 11.446 5.091 5.378 1.00 0.00 C ATOM 0 H THR A 79 9.918 5.788 3.135 1.00 0.00 H new ATOM 0 HA THR A 79 10.161 3.084 4.033 1.00 0.00 H new ATOM 0 HB THR A 79 9.799 4.064 6.267 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.453 6.380 6.391 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.716 5.615 6.295 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.043 4.183 5.289 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.638 5.737 4.521 1.00 0.00 H new ATOM 1163 N HIS A 80 7.817 2.506 4.962 1.00 0.00 N ATOM 1164 CA HIS A 80 6.452 2.026 5.143 1.00 0.00 C ATOM 1165 C HIS A 80 5.476 3.193 5.258 1.00 0.00 C ATOM 1166 O HIS A 80 4.582 3.352 4.428 1.00 0.00 O ATOM 1167 CB HIS A 80 6.360 1.144 6.389 1.00 0.00 C ATOM 1168 CG HIS A 80 4.953 0.838 6.803 1.00 0.00 C ATOM 1169 ND1 HIS A 80 4.445 -0.442 6.852 1.00 0.00 N ATOM 1170 CD2 HIS A 80 3.947 1.656 7.191 1.00 0.00 C ATOM 1171 CE1 HIS A 80 3.186 -0.399 7.250 1.00 0.00 C ATOM 1172 NE2 HIS A 80 2.859 0.863 7.463 1.00 0.00 N ATOM 0 H HIS A 80 8.527 1.943 5.430 1.00 0.00 H new ATOM 0 HA HIS A 80 6.182 1.435 4.268 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.887 0.208 6.202 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.873 1.639 7.213 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.991 2.732 7.272 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.535 -1.251 7.379 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.947 1.194 7.778 1.00 0.00 H new ATOM 1181 N ASP A 81 5.655 4.007 6.293 1.00 0.00 N ATOM 1182 CA ASP A 81 4.791 5.160 6.517 1.00 0.00 C ATOM 1183 C ASP A 81 4.598 5.953 5.228 1.00 0.00 C ATOM 1184 O ASP A 81 3.470 6.179 4.791 1.00 0.00 O ATOM 1185 CB ASP A 81 5.380 6.063 7.602 1.00 0.00 C ATOM 1186 CG ASP A 81 4.976 5.629 8.998 1.00 0.00 C ATOM 1187 OD1 ASP A 81 3.909 6.074 9.471 1.00 0.00 O ATOM 1188 OD2 ASP A 81 5.726 4.846 9.617 1.00 0.00 O ATOM 0 H ASP A 81 6.391 3.889 6.990 1.00 0.00 H new ATOM 0 HA ASP A 81 3.818 4.795 6.847 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.467 6.059 7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.052 7.089 7.434 1.00 0.00 H new ATOM 1193 N GLN A 82 5.706 6.374 4.627 1.00 0.00 N ATOM 1194 CA GLN A 82 5.658 7.143 3.389 1.00 0.00 C ATOM 1195 C GLN A 82 4.772 6.457 2.355 1.00 0.00 C ATOM 1196 O GLN A 82 3.775 7.021 1.904 1.00 0.00 O ATOM 1197 CB GLN A 82 7.068 7.331 2.825 1.00 0.00 C ATOM 1198 CG GLN A 82 7.901 8.343 3.595 1.00 0.00 C ATOM 1199 CD GLN A 82 7.209 9.684 3.734 1.00 0.00 C ATOM 1200 OE1 GLN A 82 7.489 10.621 2.985 1.00 0.00 O ATOM 1201 NE2 GLN A 82 6.299 9.784 4.695 1.00 0.00 N ATOM 0 H GLN A 82 6.647 6.196 4.977 1.00 0.00 H new ATOM 0 HA GLN A 82 5.231 8.120 3.615 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.583 6.370 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.995 7.649 1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.121 7.947 4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.856 8.482 3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.098 8.982 5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.800 10.663 4.836 1.00 0.00 H new ATOM 1210 N VAL A 83 5.141 5.235 1.984 1.00 0.00 N ATOM 1211 CA VAL A 83 4.379 4.471 1.004 1.00 0.00 C ATOM 1212 C VAL A 83 2.884 4.537 1.297 1.00 0.00 C ATOM 1213 O VAL A 83 2.089 4.918 0.438 1.00 0.00 O ATOM 1214 CB VAL A 83 4.821 2.996 0.976 1.00 0.00 C ATOM 1215 CG1 VAL A 83 3.995 2.210 -0.031 1.00 0.00 C ATOM 1216 CG2 VAL A 83 6.305 2.890 0.659 1.00 0.00 C ATOM 0 H VAL A 83 5.963 4.753 2.348 1.00 0.00 H new ATOM 0 HA VAL A 83 4.575 4.920 0.030 1.00 0.00 H new ATOM 0 HB VAL A 83 4.652 2.566 1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.322 1.170 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.942 2.258 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.129 2.638 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.600 1.841 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.502 3.337 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.879 3.417 1.422 1.00 0.00 H new ATOM 1226 N VAL A 84 2.509 4.164 2.516 1.00 0.00 N ATOM 1227 CA VAL A 84 1.109 4.183 2.924 1.00 0.00 C ATOM 1228 C VAL A 84 0.466 5.532 2.620 1.00 0.00 C ATOM 1229 O VAL A 84 -0.692 5.601 2.206 1.00 0.00 O ATOM 1230 CB VAL A 84 0.958 3.882 4.427 1.00 0.00 C ATOM 1231 CG1 VAL A 84 -0.447 4.218 4.901 1.00 0.00 C ATOM 1232 CG2 VAL A 84 1.292 2.425 4.713 1.00 0.00 C ATOM 0 H VAL A 84 3.155 3.845 3.238 1.00 0.00 H new ATOM 0 HA VAL A 84 0.602 3.405 2.353 1.00 0.00 H new ATOM 0 HB VAL A 84 1.660 4.508 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.534 3.999 5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.645 5.276 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.171 3.620 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.180 2.229 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.615 1.780 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.320 2.222 4.412 1.00 0.00 H new ATOM 1242 N LEU A 85 1.224 6.602 2.828 1.00 0.00 N ATOM 1243 CA LEU A 85 0.729 7.951 2.576 1.00 0.00 C ATOM 1244 C LEU A 85 0.548 8.195 1.082 1.00 0.00 C ATOM 1245 O LEU A 85 -0.509 8.645 0.638 1.00 0.00 O ATOM 1246 CB LEU A 85 1.691 8.987 3.161 1.00 0.00 C ATOM 1247 CG LEU A 85 1.431 9.404 4.608 1.00 0.00 C ATOM 1248 CD1 LEU A 85 2.682 10.011 5.223 1.00 0.00 C ATOM 1249 CD2 LEU A 85 0.270 10.385 4.679 1.00 0.00 C ATOM 0 H LEU A 85 2.184 6.562 3.171 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.242 8.051 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.704 8.590 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.657 9.879 2.535 1.00 0.00 H new ATOM 0 HG LEU A 85 1.166 8.515 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.477 10.302 6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.488 9.278 5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.979 10.890 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.099 10.671 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.507 11.272 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.629 9.915 4.279 1.00 0.00 H new ATOM 1261 N PHE A 86 1.586 7.892 0.308 1.00 0.00 N ATOM 1262 CA PHE A 86 1.542 8.077 -1.137 1.00 0.00 C ATOM 1263 C PHE A 86 0.217 7.580 -1.709 1.00 0.00 C ATOM 1264 O PHE A 86 -0.512 8.332 -2.357 1.00 0.00 O ATOM 1265 CB PHE A 86 2.705 7.339 -1.803 1.00 0.00 C ATOM 1266 CG PHE A 86 2.667 7.389 -3.304 1.00 0.00 C ATOM 1267 CD1 PHE A 86 2.585 8.603 -3.968 1.00 0.00 C ATOM 1268 CD2 PHE A 86 2.713 6.223 -4.050 1.00 0.00 C ATOM 1269 CE1 PHE A 86 2.550 8.652 -5.348 1.00 0.00 C ATOM 1270 CE2 PHE A 86 2.679 6.267 -5.431 1.00 0.00 C ATOM 1271 CZ PHE A 86 2.596 7.483 -6.081 1.00 0.00 C ATOM 0 H PHE A 86 2.468 7.517 0.658 1.00 0.00 H new ATOM 0 HA PHE A 86 1.631 9.143 -1.344 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.644 7.770 -1.457 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.695 6.297 -1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.548 9.521 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.776 5.269 -3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.487 9.604 -5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.717 5.351 -6.002 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.567 7.519 -7.160 1.00 0.00 H new ATOM 1281 N ILE A 87 -0.087 6.310 -1.464 1.00 0.00 N ATOM 1282 CA ILE A 87 -1.324 5.713 -1.953 1.00 0.00 C ATOM 1283 C ILE A 87 -2.521 6.610 -1.658 1.00 0.00 C ATOM 1284 O ILE A 87 -3.328 6.899 -2.543 1.00 0.00 O ATOM 1285 CB ILE A 87 -1.567 4.328 -1.325 1.00 0.00 C ATOM 1286 CG1 ILE A 87 -0.400 3.390 -1.639 1.00 0.00 C ATOM 1287 CG2 ILE A 87 -2.877 3.741 -1.830 1.00 0.00 C ATOM 1288 CD1 ILE A 87 -0.395 2.131 -0.800 1.00 0.00 C ATOM 0 H ILE A 87 0.506 5.675 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.215 5.600 -3.032 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.635 4.442 -0.243 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.439 3.115 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.537 3.924 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.035 2.762 -1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.700 4.403 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.835 3.637 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.459 1.513 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.325 2.397 0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.316 1.575 -0.973 1.00 0.00 H new ATOM 1300 N LYS A 88 -2.631 7.050 -0.409 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.728 7.917 0.004 1.00 0.00 C ATOM 1302 C LYS A 88 -3.784 9.172 -0.861 1.00 0.00 C ATOM 1303 O LYS A 88 -4.856 9.585 -1.303 1.00 0.00 O ATOM 1304 CB LYS A 88 -3.572 8.305 1.476 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.891 7.176 2.440 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.858 7.649 3.883 1.00 0.00 C ATOM 1307 CE LYS A 88 -4.157 6.513 4.849 1.00 0.00 C ATOM 1308 NZ LYS A 88 -5.620 6.337 5.064 1.00 0.00 N ATOM 0 H LYS A 88 -1.973 6.820 0.336 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.661 7.368 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.549 8.640 1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.225 9.151 1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.876 6.769 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.173 6.367 2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.878 8.070 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.587 8.448 4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.733 5.586 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.671 6.711 5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.781 5.553 5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.021 7.212 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.081 6.122 4.157 1.00 0.00 H new ATOM 1322 N ALA A 89 -2.623 9.774 -1.099 1.00 0.00 N ATOM 1323 CA ALA A 89 -2.541 10.980 -1.914 1.00 0.00 C ATOM 1324 C ALA A 89 -3.472 10.893 -3.118 1.00 0.00 C ATOM 1325 O ALA A 89 -4.209 11.834 -3.413 1.00 0.00 O ATOM 1326 CB ALA A 89 -1.107 11.213 -2.368 1.00 0.00 C ATOM 0 H ALA A 89 -1.727 9.446 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.859 11.825 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.060 12.117 -2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.463 11.328 -1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.769 10.361 -2.958 1.00 0.00 H new ATOM 1332 N SER A 90 -3.432 9.760 -3.811 1.00 0.00 N ATOM 1333 CA SER A 90 -4.270 9.553 -4.987 1.00 0.00 C ATOM 1334 C SER A 90 -5.634 10.210 -4.804 1.00 0.00 C ATOM 1335 O SER A 90 -6.143 10.871 -5.710 1.00 0.00 O ATOM 1336 CB SER A 90 -4.443 8.057 -5.258 1.00 0.00 C ATOM 1337 OG SER A 90 -5.192 7.435 -4.229 1.00 0.00 O ATOM 0 H SER A 90 -2.829 8.971 -3.579 1.00 0.00 H new ATOM 0 HA SER A 90 -3.776 10.015 -5.842 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.945 7.913 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.465 7.583 -5.337 1.00 0.00 H new ATOM 0 HG SER A 90 -4.589 7.156 -3.508 1.00 0.00 H new ATOM 1343 N CYS A 91 -6.221 10.022 -3.627 1.00 0.00 N ATOM 1344 CA CYS A 91 -7.528 10.596 -3.325 1.00 0.00 C ATOM 1345 C CYS A 91 -7.598 12.053 -3.768 1.00 0.00 C ATOM 1346 O CYS A 91 -8.552 12.466 -4.426 1.00 0.00 O ATOM 1347 CB CYS A 91 -7.819 10.491 -1.827 1.00 0.00 C ATOM 1348 SG CYS A 91 -8.544 8.912 -1.325 1.00 0.00 S ATOM 0 H CYS A 91 -5.813 9.477 -2.867 1.00 0.00 H new ATOM 0 HA CYS A 91 -8.281 10.032 -3.875 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -6.891 10.644 -1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.496 11.296 -1.542 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.752 8.918 -0.042 1.00 0.00 H new ATOM 1354 N GLU A 92 -6.581 12.828 -3.401 1.00 0.00 N ATOM 1355 CA GLU A 92 -6.530 14.240 -3.759 1.00 0.00 C ATOM 1356 C GLU A 92 -6.235 14.414 -5.246 1.00 0.00 C ATOM 1357 O GLU A 92 -5.077 14.511 -5.653 1.00 0.00 O ATOM 1358 CB GLU A 92 -5.466 14.961 -2.929 1.00 0.00 C ATOM 1359 CG GLU A 92 -5.767 16.432 -2.698 1.00 0.00 C ATOM 1360 CD GLU A 92 -7.057 16.650 -1.931 1.00 0.00 C ATOM 1361 OE1 GLU A 92 -8.132 16.648 -2.566 1.00 0.00 O ATOM 1362 OE2 GLU A 92 -6.991 16.821 -0.695 1.00 0.00 O ATOM 0 H GLU A 92 -5.783 12.501 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 92 -7.505 14.678 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.371 14.463 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.503 14.871 -3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.942 16.886 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.830 16.942 -3.660 1.00 0.00 H new ATOM 1369 N ARG A 93 -7.290 14.451 -6.053 1.00 0.00 N ATOM 1370 CA ARG A 93 -7.145 14.612 -7.495 1.00 0.00 C ATOM 1371 C ARG A 93 -8.509 14.746 -8.167 1.00 0.00 C ATOM 1372 O ARG A 93 -9.536 14.395 -7.586 1.00 0.00 O ATOM 1373 CB ARG A 93 -6.388 13.422 -8.087 1.00 0.00 C ATOM 1374 CG ARG A 93 -7.207 12.143 -8.139 1.00 0.00 C ATOM 1375 CD ARG A 93 -6.402 10.989 -8.716 1.00 0.00 C ATOM 1376 NE ARG A 93 -7.043 9.699 -8.473 1.00 0.00 N ATOM 1377 CZ ARG A 93 -6.560 8.544 -8.916 1.00 0.00 C ATOM 1378 NH1 ARG A 93 -5.438 8.517 -9.622 1.00 0.00 N ATOM 1379 NH2 ARG A 93 -7.201 7.411 -8.654 1.00 0.00 N ATOM 0 H ARG A 93 -8.255 14.372 -5.733 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.577 15.524 -7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.062 13.675 -9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.489 13.244 -7.496 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.546 11.886 -7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.099 12.305 -8.745 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.277 11.135 -9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.405 10.987 -8.276 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.909 9.685 -7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.943 9.385 -9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.070 7.628 -9.961 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.065 7.427 -8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.829 6.524 -8.995 1.00 0.00 H new ATOM 1393 N HIS A 94 -8.510 15.258 -9.393 1.00 0.00 N ATOM 1394 CA HIS A 94 -9.747 15.439 -10.145 1.00 0.00 C ATOM 1395 C HIS A 94 -10.483 14.113 -10.308 1.00 0.00 C ATOM 1396 O HIS A 94 -11.632 13.973 -9.889 1.00 0.00 O ATOM 1397 CB HIS A 94 -9.451 16.044 -11.518 1.00 0.00 C ATOM 1398 CG HIS A 94 -8.868 17.422 -11.452 1.00 0.00 C ATOM 1399 ND1 HIS A 94 -9.634 18.555 -11.280 1.00 0.00 N ATOM 1400 CD2 HIS A 94 -7.585 17.845 -11.535 1.00 0.00 C ATOM 1401 CE1 HIS A 94 -8.848 19.617 -11.262 1.00 0.00 C ATOM 1402 NE2 HIS A 94 -7.599 19.213 -11.414 1.00 0.00 N ATOM 0 H HIS A 94 -7.669 15.555 -9.887 1.00 0.00 H new ATOM 0 HA HIS A 94 -10.386 16.122 -9.586 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.760 15.391 -12.052 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.373 16.076 -12.098 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -6.713 17.223 -11.671 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.171 20.641 -11.143 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -6.779 19.819 -11.438 1.00 0.00 H new ATOM 1411 N SER A 95 -9.813 13.141 -10.920 1.00 0.00 N ATOM 1412 CA SER A 95 -10.405 11.827 -11.143 1.00 0.00 C ATOM 1413 C SER A 95 -9.343 10.818 -11.568 1.00 0.00 C ATOM 1414 O SER A 95 -8.259 11.191 -12.014 1.00 0.00 O ATOM 1415 CB SER A 95 -11.501 11.912 -12.208 1.00 0.00 C ATOM 1416 OG SER A 95 -12.468 10.893 -12.026 1.00 0.00 O ATOM 0 H SER A 95 -8.860 13.239 -11.270 1.00 0.00 H new ATOM 0 HA SER A 95 -10.846 11.490 -10.205 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.983 12.888 -12.161 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.057 11.823 -13.199 1.00 0.00 H new ATOM 0 HG SER A 95 -13.158 10.970 -12.717 1.00 0.00 H new ATOM 1422 N GLY A 96 -9.664 9.535 -11.426 1.00 0.00 N ATOM 1423 CA GLY A 96 -8.728 8.491 -11.799 1.00 0.00 C ATOM 1424 C GLY A 96 -8.980 7.194 -11.055 1.00 0.00 C ATOM 1425 O GLY A 96 -9.922 7.095 -10.270 1.00 0.00 O ATOM 0 H GLY A 96 -10.555 9.201 -11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.798 8.311 -12.872 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.712 8.830 -11.599 1.00 0.00 H new ATOM 1429 N GLU A 97 -8.136 6.198 -11.304 1.00 0.00 N ATOM 1430 CA GLU A 97 -8.273 4.901 -10.652 1.00 0.00 C ATOM 1431 C GLU A 97 -6.966 4.486 -9.983 1.00 0.00 C ATOM 1432 O GLU A 97 -5.923 5.105 -10.197 1.00 0.00 O ATOM 1433 CB GLU A 97 -8.698 3.838 -11.668 1.00 0.00 C ATOM 1434 CG GLU A 97 -10.202 3.762 -11.876 1.00 0.00 C ATOM 1435 CD GLU A 97 -10.723 4.869 -12.771 1.00 0.00 C ATOM 1436 OE1 GLU A 97 -10.925 5.994 -12.269 1.00 0.00 O ATOM 1437 OE2 GLU A 97 -10.930 4.609 -13.976 1.00 0.00 O ATOM 0 H GLU A 97 -7.351 6.264 -11.952 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.041 4.989 -9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.218 4.048 -12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.336 2.865 -11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.456 2.796 -12.313 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.702 3.816 -10.909 1.00 0.00 H new ATOM 1444 N LEU A 98 -7.031 3.436 -9.172 1.00 0.00 N ATOM 1445 CA LEU A 98 -5.853 2.938 -8.470 1.00 0.00 C ATOM 1446 C LEU A 98 -5.253 1.738 -9.196 1.00 0.00 C ATOM 1447 O LEU A 98 -5.961 0.794 -9.544 1.00 0.00 O ATOM 1448 CB LEU A 98 -6.216 2.551 -7.035 1.00 0.00 C ATOM 1449 CG LEU A 98 -5.041 2.339 -6.080 1.00 0.00 C ATOM 1450 CD1 LEU A 98 -4.543 3.672 -5.542 1.00 0.00 C ATOM 1451 CD2 LEU A 98 -5.442 1.417 -4.937 1.00 0.00 C ATOM 0 H LEU A 98 -7.886 2.913 -8.984 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.110 3.735 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.859 3.328 -6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.804 1.634 -7.065 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.229 1.867 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.707 3.501 -4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.216 4.300 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.349 4.172 -5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.593 1.277 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.271 1.861 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.750 0.452 -5.339 1.00 0.00 H new ATOM 1463 N MET A 99 -3.944 1.782 -9.419 1.00 0.00 N ATOM 1464 CA MET A 99 -3.248 0.697 -10.101 1.00 0.00 C ATOM 1465 C MET A 99 -2.025 0.251 -9.306 1.00 0.00 C ATOM 1466 O MET A 99 -1.169 1.065 -8.957 1.00 0.00 O ATOM 1467 CB MET A 99 -2.827 1.134 -11.505 1.00 0.00 C ATOM 1468 CG MET A 99 -3.995 1.315 -12.461 1.00 0.00 C ATOM 1469 SD MET A 99 -3.511 2.112 -14.005 1.00 0.00 S ATOM 1470 CE MET A 99 -3.507 0.711 -15.122 1.00 0.00 C ATOM 0 H MET A 99 -3.344 2.557 -9.138 1.00 0.00 H new ATOM 0 HA MET A 99 -3.934 -0.146 -10.182 1.00 0.00 H new ATOM 0 HB2 MET A 99 -2.277 2.072 -11.435 1.00 0.00 H new ATOM 0 HB3 MET A 99 -2.142 0.393 -11.917 1.00 0.00 H new ATOM 0 HG2 MET A 99 -4.434 0.342 -12.681 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.768 1.911 -11.976 1.00 0.00 H new ATOM 0 HE1 MET A 99 -3.455 1.066 -16.151 1.00 0.00 H new ATOM 0 HE2 MET A 99 -2.643 0.081 -14.912 1.00 0.00 H new ATOM 0 HE3 MET A 99 -4.420 0.132 -14.983 1.00 0.00 H new ATOM 1480 N LEU A 100 -1.949 -1.045 -9.023 1.00 0.00 N ATOM 1481 CA LEU A 100 -0.830 -1.599 -8.268 1.00 0.00 C ATOM 1482 C LEU A 100 -0.127 -2.694 -9.063 1.00 0.00 C ATOM 1483 O LEU A 100 -0.749 -3.674 -9.476 1.00 0.00 O ATOM 1484 CB LEU A 100 -1.318 -2.157 -6.930 1.00 0.00 C ATOM 1485 CG LEU A 100 -2.213 -1.233 -6.103 1.00 0.00 C ATOM 1486 CD1 LEU A 100 -3.116 -2.043 -5.187 1.00 0.00 C ATOM 1487 CD2 LEU A 100 -1.369 -0.256 -5.297 1.00 0.00 C ATOM 0 H LEU A 100 -2.649 -1.732 -9.305 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.117 -0.796 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.863 -3.081 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.447 -2.419 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.843 -0.662 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.745 -1.368 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.746 -2.701 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.506 -2.641 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.022 0.394 -4.714 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.714 -0.810 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.766 0.349 -5.974 1.00 0.00 H new ATOM 1499 N LEU A 101 1.174 -2.523 -9.273 1.00 0.00 N ATOM 1500 CA LEU A 101 1.964 -3.499 -10.016 1.00 0.00 C ATOM 1501 C LEU A 101 2.563 -4.542 -9.079 1.00 0.00 C ATOM 1502 O LEU A 101 3.561 -4.286 -8.404 1.00 0.00 O ATOM 1503 CB LEU A 101 3.077 -2.796 -10.795 1.00 0.00 C ATOM 1504 CG LEU A 101 3.833 -3.655 -11.809 1.00 0.00 C ATOM 1505 CD1 LEU A 101 2.916 -4.064 -12.951 1.00 0.00 C ATOM 1506 CD2 LEU A 101 5.048 -2.909 -12.339 1.00 0.00 C ATOM 0 H LEU A 101 1.704 -1.718 -8.939 1.00 0.00 H new ATOM 0 HA LEU A 101 1.303 -4.007 -10.718 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.643 -1.946 -11.321 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.796 -2.396 -10.080 1.00 0.00 H new ATOM 0 HG LEU A 101 4.178 -4.558 -11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.471 -4.675 -13.663 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.078 -4.638 -12.557 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.541 -3.172 -13.453 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.574 -3.536 -13.059 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.726 -1.988 -12.826 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.716 -2.668 -11.512 1.00 0.00 H new ATOM 1518 N VAL A 102 1.950 -5.721 -9.044 1.00 0.00 N ATOM 1519 CA VAL A 102 2.425 -6.805 -8.192 1.00 0.00 C ATOM 1520 C VAL A 102 2.985 -7.953 -9.024 1.00 0.00 C ATOM 1521 O VAL A 102 2.737 -8.039 -10.227 1.00 0.00 O ATOM 1522 CB VAL A 102 1.300 -7.342 -7.288 1.00 0.00 C ATOM 1523 CG1 VAL A 102 0.597 -6.198 -6.573 1.00 0.00 C ATOM 1524 CG2 VAL A 102 0.310 -8.163 -8.101 1.00 0.00 C ATOM 0 H VAL A 102 1.123 -5.950 -9.596 1.00 0.00 H new ATOM 0 HA VAL A 102 3.217 -6.393 -7.567 1.00 0.00 H new ATOM 0 HB VAL A 102 1.743 -7.992 -6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.195 -6.597 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.316 -5.657 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.165 -5.520 -7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.478 -8.535 -7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.129 -7.538 -8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.827 -9.005 -8.561 1.00 0.00 H new ATOM 1534 N ARG A 103 3.741 -8.832 -8.376 1.00 0.00 N ATOM 1535 CA ARG A 103 4.337 -9.976 -9.057 1.00 0.00 C ATOM 1536 C ARG A 103 3.594 -11.263 -8.711 1.00 0.00 C ATOM 1537 O ARG A 103 3.238 -11.513 -7.559 1.00 0.00 O ATOM 1538 CB ARG A 103 5.813 -10.109 -8.678 1.00 0.00 C ATOM 1539 CG ARG A 103 6.643 -10.850 -9.713 1.00 0.00 C ATOM 1540 CD ARG A 103 8.131 -10.745 -9.413 1.00 0.00 C ATOM 1541 NE ARG A 103 8.629 -9.384 -9.588 1.00 0.00 N ATOM 1542 CZ ARG A 103 8.875 -8.838 -10.774 1.00 0.00 C ATOM 1543 NH1 ARG A 103 8.668 -9.533 -11.883 1.00 0.00 N ATOM 1544 NH2 ARG A 103 9.327 -7.593 -10.851 1.00 0.00 N ATOM 0 H ARG A 103 3.956 -8.775 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 103 4.258 -9.809 -10.131 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.233 -9.114 -8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.889 -10.630 -7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.348 -11.899 -9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.441 -10.442 -10.703 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.319 -11.071 -8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.682 -11.420 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 103 8.797 -8.821 -8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.319 -10.490 -11.828 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.858 -9.111 -12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.486 -7.055 -9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.516 -7.174 -11.762 1.00 0.00 H new ATOM 1558 N PRO A 104 3.353 -12.099 -9.731 1.00 0.00 N ATOM 1559 CA PRO A 104 2.650 -13.374 -9.560 1.00 0.00 C ATOM 1560 C PRO A 104 3.481 -14.396 -8.790 1.00 0.00 C ATOM 1561 O PRO A 104 4.706 -14.420 -8.897 1.00 0.00 O ATOM 1562 CB PRO A 104 2.419 -13.848 -10.997 1.00 0.00 C ATOM 1563 CG PRO A 104 3.497 -13.194 -11.790 1.00 0.00 C ATOM 1564 CD PRO A 104 3.749 -11.866 -11.130 1.00 0.00 C ATOM 0 HA PRO A 104 1.733 -13.259 -8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 104 2.477 -14.934 -11.070 1.00 0.00 H new ATOM 0 HB3 PRO A 104 1.432 -13.557 -11.356 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.401 -13.804 -11.798 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.193 -13.062 -12.828 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.795 -11.571 -11.207 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.159 -11.072 -11.587 1.00 0.00 H new ATOM 1572 N ASN A 105 2.805 -15.237 -8.014 1.00 0.00 N ATOM 1573 CA ASN A 105 3.482 -16.261 -7.226 1.00 0.00 C ATOM 1574 C ASN A 105 3.080 -17.658 -7.690 1.00 0.00 C ATOM 1575 O ASN A 105 2.241 -18.311 -7.071 1.00 0.00 O ATOM 1576 CB ASN A 105 3.154 -16.090 -5.741 1.00 0.00 C ATOM 1577 CG ASN A 105 1.663 -16.123 -5.471 1.00 0.00 C ATOM 1578 OD1 ASN A 105 0.860 -15.710 -6.308 1.00 0.00 O ATOM 1579 ND2 ASN A 105 1.285 -16.615 -4.296 1.00 0.00 N ATOM 0 H ASN A 105 1.790 -15.230 -7.914 1.00 0.00 H new ATOM 0 HA ASN A 105 4.556 -16.145 -7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.641 -16.881 -5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 105 3.564 -15.144 -5.388 1.00 0.00 H new ATOM 0 HD21 ASN A 105 0.294 -16.662 -4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 105 1.985 -16.946 -3.633 1.00 0.00 H new ATOM 1586 N ALA A 106 3.687 -18.110 -8.782 1.00 0.00 N ATOM 1587 CA ALA A 106 3.395 -19.430 -9.327 1.00 0.00 C ATOM 1588 C ALA A 106 3.879 -20.530 -8.389 1.00 0.00 C ATOM 1589 O ALA A 106 5.080 -20.696 -8.177 1.00 0.00 O ATOM 1590 CB ALA A 106 4.032 -19.586 -10.700 1.00 0.00 C ATOM 0 H ALA A 106 4.384 -17.582 -9.307 1.00 0.00 H new ATOM 0 HA ALA A 106 2.314 -19.524 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 106 3.806 -20.576 -11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.635 -18.827 -11.374 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.112 -19.467 -10.616 1.00 0.00 H new ATOM 1596 N VAL A 107 2.936 -21.281 -7.828 1.00 0.00 N ATOM 1597 CA VAL A 107 3.266 -22.366 -6.912 1.00 0.00 C ATOM 1598 C VAL A 107 2.448 -23.614 -7.222 1.00 0.00 C ATOM 1599 O VAL A 107 1.240 -23.537 -7.450 1.00 0.00 O ATOM 1600 CB VAL A 107 3.025 -21.957 -5.447 1.00 0.00 C ATOM 1601 CG1 VAL A 107 3.380 -23.100 -4.508 1.00 0.00 C ATOM 1602 CG2 VAL A 107 3.822 -20.708 -5.105 1.00 0.00 C ATOM 0 H VAL A 107 1.937 -21.157 -7.992 1.00 0.00 H new ATOM 0 HA VAL A 107 4.325 -22.586 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 107 1.966 -21.730 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.203 -22.792 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.761 -23.967 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.431 -23.361 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.640 -20.433 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.885 -20.904 -5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.514 -19.890 -5.756 1.00 0.00 H new ATOM 1612 N TYR A 108 3.112 -24.764 -7.228 1.00 0.00 N ATOM 1613 CA TYR A 108 2.447 -26.030 -7.511 1.00 0.00 C ATOM 1614 C TYR A 108 1.871 -26.641 -6.237 1.00 0.00 C ATOM 1615 O TYR A 108 2.512 -26.629 -5.185 1.00 0.00 O ATOM 1616 CB TYR A 108 3.424 -27.010 -8.163 1.00 0.00 C ATOM 1617 CG TYR A 108 4.348 -27.689 -7.177 1.00 0.00 C ATOM 1618 CD1 TYR A 108 3.880 -28.684 -6.328 1.00 0.00 C ATOM 1619 CD2 TYR A 108 5.690 -27.336 -7.096 1.00 0.00 C ATOM 1620 CE1 TYR A 108 4.720 -29.307 -5.425 1.00 0.00 C ATOM 1621 CE2 TYR A 108 6.538 -27.955 -6.197 1.00 0.00 C ATOM 1622 CZ TYR A 108 6.048 -28.939 -5.364 1.00 0.00 C ATOM 1623 OH TYR A 108 6.889 -29.557 -4.467 1.00 0.00 O ATOM 0 H TYR A 108 4.111 -24.846 -7.040 1.00 0.00 H new ATOM 0 HA TYR A 108 1.626 -25.833 -8.201 1.00 0.00 H new ATOM 0 HB2 TYR A 108 2.858 -27.771 -8.701 1.00 0.00 H new ATOM 0 HB3 TYR A 108 4.023 -26.476 -8.901 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.841 -28.976 -6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.077 -26.565 -7.746 1.00 0.00 H new ATOM 0 HE1 TYR A 108 4.339 -30.077 -4.771 1.00 0.00 H new ATOM 0 HE2 TYR A 108 7.578 -27.670 -6.147 1.00 0.00 H new ATOM 0 HH TYR A 108 7.791 -29.183 -4.553 1.00 0.00 H new ATOM 1633 N ASP A 109 0.659 -27.174 -6.339 1.00 0.00 N ATOM 1634 CA ASP A 109 -0.004 -27.791 -5.196 1.00 0.00 C ATOM 1635 C ASP A 109 -1.223 -28.592 -5.642 1.00 0.00 C ATOM 1636 O ASP A 109 -2.013 -28.132 -6.467 1.00 0.00 O ATOM 1637 CB ASP A 109 -0.422 -26.723 -4.184 1.00 0.00 C ATOM 1638 CG ASP A 109 -1.731 -26.055 -4.555 1.00 0.00 C ATOM 1639 OD1 ASP A 109 -2.785 -26.720 -4.461 1.00 0.00 O ATOM 1640 OD2 ASP A 109 -1.703 -24.867 -4.939 1.00 0.00 O ATOM 0 H ASP A 109 0.115 -27.191 -7.202 1.00 0.00 H new ATOM 0 HA ASP A 109 0.702 -28.473 -4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -0.516 -27.178 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 109 0.361 -25.968 -4.113 1.00 0.00 H new ATOM 1645 N VAL A 110 -1.369 -29.793 -5.093 1.00 0.00 N ATOM 1646 CA VAL A 110 -2.492 -30.659 -5.434 1.00 0.00 C ATOM 1647 C VAL A 110 -3.799 -30.111 -4.872 1.00 0.00 C ATOM 1648 O VAL A 110 -3.832 -29.565 -3.769 1.00 0.00 O ATOM 1649 CB VAL A 110 -2.278 -32.090 -4.906 1.00 0.00 C ATOM 1650 CG1 VAL A 110 -3.446 -32.983 -5.296 1.00 0.00 C ATOM 1651 CG2 VAL A 110 -0.966 -32.658 -5.424 1.00 0.00 C ATOM 0 H VAL A 110 -0.724 -30.189 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.551 -30.687 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.227 -32.053 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.277 -33.990 -4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.367 -32.584 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.532 -33.016 -6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.831 -33.670 -5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.985 -32.682 -6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.140 -32.030 -5.089 1.00 0.00 H new ATOM 1661 N VAL A 111 -4.875 -30.261 -5.637 1.00 0.00 N ATOM 1662 CA VAL A 111 -6.186 -29.783 -5.215 1.00 0.00 C ATOM 1663 C VAL A 111 -7.247 -30.865 -5.383 1.00 0.00 C ATOM 1664 O VAL A 111 -7.328 -31.510 -6.428 1.00 0.00 O ATOM 1665 CB VAL A 111 -6.611 -28.535 -6.011 1.00 0.00 C ATOM 1666 CG1 VAL A 111 -6.790 -28.875 -7.483 1.00 0.00 C ATOM 1667 CG2 VAL A 111 -7.889 -27.944 -5.433 1.00 0.00 C ATOM 0 H VAL A 111 -4.865 -30.710 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 111 -6.102 -29.522 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.822 -27.787 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -7.090 -27.981 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.849 -29.248 -7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.559 -29.640 -7.589 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.175 -27.063 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.687 -28.684 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -7.721 -27.661 -4.394 1.00 0.00 H new ATOM 1677 N GLU A 112 -8.057 -31.058 -4.348 1.00 0.00 N ATOM 1678 CA GLU A 112 -9.113 -32.063 -4.382 1.00 0.00 C ATOM 1679 C GLU A 112 -10.462 -31.448 -4.020 1.00 0.00 C ATOM 1680 O GLU A 112 -10.527 -30.445 -3.311 1.00 0.00 O ATOM 1681 CB GLU A 112 -8.788 -33.209 -3.421 1.00 0.00 C ATOM 1682 CG GLU A 112 -7.582 -34.032 -3.841 1.00 0.00 C ATOM 1683 CD GLU A 112 -7.427 -35.300 -3.023 1.00 0.00 C ATOM 1684 OE1 GLU A 112 -7.365 -35.200 -1.780 1.00 0.00 O ATOM 1685 OE2 GLU A 112 -7.369 -36.391 -3.627 1.00 0.00 O ATOM 0 H GLU A 112 -8.003 -30.532 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.173 -32.455 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -8.609 -32.799 -2.427 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.656 -33.864 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.674 -34.293 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.681 -33.427 -3.740 1.00 0.00 H new ATOM 1692 N GLU A 113 -11.535 -32.058 -4.513 1.00 0.00 N ATOM 1693 CA GLU A 113 -12.882 -31.570 -4.243 1.00 0.00 C ATOM 1694 C GLU A 113 -13.930 -32.569 -4.724 1.00 0.00 C ATOM 1695 O GLU A 113 -14.060 -32.821 -5.922 1.00 0.00 O ATOM 1696 CB GLU A 113 -13.103 -30.216 -4.921 1.00 0.00 C ATOM 1697 CG GLU A 113 -12.562 -30.150 -6.339 1.00 0.00 C ATOM 1698 CD GLU A 113 -12.421 -28.727 -6.844 1.00 0.00 C ATOM 1699 OE1 GLU A 113 -11.433 -28.060 -6.471 1.00 0.00 O ATOM 1700 OE2 GLU A 113 -13.298 -28.281 -7.613 1.00 0.00 O ATOM 0 H GLU A 113 -11.498 -32.891 -5.101 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.988 -31.450 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -14.171 -29.998 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.628 -29.438 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.590 -30.643 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.226 -30.703 -7.003 1.00 0.00 H new ATOM 1707 N SER A 114 -14.675 -33.136 -3.781 1.00 0.00 N ATOM 1708 CA SER A 114 -15.709 -34.112 -4.107 1.00 0.00 C ATOM 1709 C SER A 114 -16.880 -34.008 -3.135 1.00 0.00 C ATOM 1710 O SER A 114 -16.708 -34.128 -1.923 1.00 0.00 O ATOM 1711 CB SER A 114 -15.131 -35.528 -4.078 1.00 0.00 C ATOM 1712 OG SER A 114 -15.917 -36.416 -4.855 1.00 0.00 O ATOM 0 H SER A 114 -14.582 -32.937 -2.785 1.00 0.00 H new ATOM 0 HA SER A 114 -16.073 -33.897 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 114 -14.109 -35.515 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 114 -15.084 -35.884 -3.049 1.00 0.00 H new ATOM 0 HG SER A 114 -15.526 -37.314 -4.822 1.00 0.00 H new ATOM 1718 N GLY A 115 -18.074 -33.784 -3.677 1.00 0.00 N ATOM 1719 CA GLY A 115 -19.257 -33.667 -2.845 1.00 0.00 C ATOM 1720 C GLY A 115 -20.516 -34.113 -3.561 1.00 0.00 C ATOM 1721 O GLY A 115 -21.302 -33.298 -4.045 1.00 0.00 O ATOM 0 H GLY A 115 -18.242 -33.682 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -19.124 -34.265 -1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -19.372 -32.631 -2.526 1.00 0.00 H new ATOM 1725 N PRO A 116 -20.721 -35.436 -3.637 1.00 0.00 N ATOM 1726 CA PRO A 116 -21.892 -36.019 -4.299 1.00 0.00 C ATOM 1727 C PRO A 116 -23.181 -35.765 -3.525 1.00 0.00 C ATOM 1728 O PRO A 116 -23.200 -34.991 -2.568 1.00 0.00 O ATOM 1729 CB PRO A 116 -21.573 -37.516 -4.329 1.00 0.00 C ATOM 1730 CG PRO A 116 -20.636 -37.727 -3.191 1.00 0.00 C ATOM 1731 CD PRO A 116 -19.826 -36.465 -3.082 1.00 0.00 C ATOM 0 HA PRO A 116 -22.062 -35.585 -5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -22.476 -38.115 -4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -21.117 -37.805 -5.276 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -21.181 -37.922 -2.267 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -19.993 -38.589 -3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -19.557 -36.248 -2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -18.896 -36.535 -3.646 1.00 0.00 H new ATOM 1739 N SER A 117 -24.258 -36.421 -3.946 1.00 0.00 N ATOM 1740 CA SER A 117 -25.553 -36.263 -3.295 1.00 0.00 C ATOM 1741 C SER A 117 -26.405 -37.516 -3.470 1.00 0.00 C ATOM 1742 O SER A 117 -26.262 -38.246 -4.452 1.00 0.00 O ATOM 1743 CB SER A 117 -26.288 -35.048 -3.863 1.00 0.00 C ATOM 1744 OG SER A 117 -25.773 -33.843 -3.326 1.00 0.00 O ATOM 0 H SER A 117 -24.259 -37.067 -4.735 1.00 0.00 H new ATOM 0 HA SER A 117 -25.381 -36.108 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 117 -26.192 -35.036 -4.949 1.00 0.00 H new ATOM 0 HB3 SER A 117 -27.352 -35.125 -3.638 1.00 0.00 H new ATOM 0 HG SER A 117 -24.913 -34.020 -2.890 1.00 0.00 H new ATOM 1750 N SER A 118 -27.293 -37.759 -2.511 1.00 0.00 N ATOM 1751 CA SER A 118 -28.167 -38.926 -2.556 1.00 0.00 C ATOM 1752 C SER A 118 -27.405 -40.157 -3.036 1.00 0.00 C ATOM 1753 O SER A 118 -27.902 -40.928 -3.856 1.00 0.00 O ATOM 1754 CB SER A 118 -29.360 -38.660 -3.476 1.00 0.00 C ATOM 1755 OG SER A 118 -30.388 -39.613 -3.267 1.00 0.00 O ATOM 0 H SER A 118 -27.426 -37.164 -1.694 1.00 0.00 H new ATOM 0 HA SER A 118 -28.531 -39.116 -1.546 1.00 0.00 H new ATOM 0 HB2 SER A 118 -29.747 -37.657 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 118 -29.036 -38.693 -4.516 1.00 0.00 H new ATOM 0 HG SER A 118 -30.030 -40.515 -3.403 1.00 0.00 H new ATOM 1761 N GLY A 119 -26.193 -40.335 -2.517 1.00 0.00 N ATOM 1762 CA GLY A 119 -25.381 -41.474 -2.903 1.00 0.00 C ATOM 1763 C GLY A 119 -24.999 -42.341 -1.721 1.00 0.00 C ATOM 1764 O GLY A 119 -25.606 -43.387 -1.487 1.00 0.00 O ATOM 0 H GLY A 119 -25.760 -39.711 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -25.927 -42.076 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -24.476 -41.120 -3.398 1.00 0.00 H new TER 1768 GLY A 119