USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 722 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 26 ASN : amide:sc= -0.612 X(o=-0.93,f=-1.1) USER MOD Set 1.2: A 34 TYR OH : rot 130:sc= -0.316 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00176 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 3:sc= 0.714 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.023) USER MOD Single : A 13 SER OG : rot 9:sc= 1.22 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 144:sc= -3.45 (180deg=-9.27!) USER MOD Single : A 20 ASN :FLIP amide:sc=-0.00651 F(o=-0.83,f=-0.0065) USER MOD Single : A 23 MET CE :methyl -125:sc= -0.823 (180deg=-1.8) USER MOD Single : A 27 GLN : amide:sc= -0.795 K(o=-0.79,f=-3.6!) USER MOD Single : A 33 GLN : amide:sc= -0.0115 X(o=-0.012,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.079! F(o=-1.2,f=-0.079!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0788 K(o=-0.079,f=-2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -111:sc= -1.07 (180deg=-2.92!) USER MOD Single : A 51 SER OG : rot -53:sc= 0.0225 USER MOD Single : A 57 THR OG1 : rot 70:sc= 0.0451 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 SER OG : rot 35:sc= 0.0258 USER MOD Single : A 65 SER OG : rot 7:sc= 0.302 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= 1.51 (180deg=0.762) USER MOD Single : A 72 HIS : no HD1:sc= -2.46! X(o=-2.5!,f=-2.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 81 MET CE :methyl -165:sc= -5.27! (180deg=-5.76!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 140:sc= -0.691 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.540 -4.719 18.306 1.00 0.00 N ATOM 2 CA GLY A 1 14.745 -5.207 17.661 1.00 0.00 C ATOM 3 C GLY A 1 14.828 -4.796 16.204 1.00 0.00 C ATOM 4 O GLY A 1 15.439 -3.780 15.872 1.00 0.00 O ATOM 0 H1 GLY A 1 13.530 -5.026 19.300 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.520 -3.680 18.264 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.705 -5.101 17.817 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.618 -4.828 18.193 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.777 -6.294 17.731 1.00 0.00 H new ATOM 8 N SER A 2 14.215 -5.589 15.331 1.00 0.00 N ATOM 9 CA SER A 2 14.227 -5.306 13.901 1.00 0.00 C ATOM 10 C SER A 2 12.807 -5.227 13.350 1.00 0.00 C ATOM 11 O SER A 2 12.505 -4.392 12.497 1.00 0.00 O ATOM 12 CB SER A 2 15.017 -6.382 13.153 1.00 0.00 C ATOM 13 OG SER A 2 14.352 -7.632 13.206 1.00 0.00 O ATOM 0 H SER A 2 13.704 -6.433 15.589 1.00 0.00 H new ATOM 0 HA SER A 2 14.710 -4.340 13.752 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.152 -6.082 12.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.011 -6.477 13.589 1.00 0.00 H new ATOM 0 HG SER A 2 14.876 -8.302 12.719 1.00 0.00 H new ATOM 19 N SER A 3 11.937 -6.102 13.845 1.00 0.00 N ATOM 20 CA SER A 3 10.549 -6.136 13.400 1.00 0.00 C ATOM 21 C SER A 3 10.466 -6.133 11.877 1.00 0.00 C ATOM 22 O SER A 3 9.801 -5.287 11.281 1.00 0.00 O ATOM 23 CB SER A 3 9.782 -4.939 13.966 1.00 0.00 C ATOM 24 OG SER A 3 9.433 -5.152 15.323 1.00 0.00 O ATOM 0 H SER A 3 12.169 -6.797 14.555 1.00 0.00 H new ATOM 0 HA SER A 3 10.097 -7.057 13.769 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.392 -4.039 13.881 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.880 -4.770 13.378 1.00 0.00 H new ATOM 0 HG SER A 3 8.945 -4.372 15.662 1.00 0.00 H new ATOM 30 N GLY A 4 11.147 -7.089 11.252 1.00 0.00 N ATOM 31 CA GLY A 4 11.138 -7.180 9.803 1.00 0.00 C ATOM 32 C GLY A 4 11.095 -8.614 9.313 1.00 0.00 C ATOM 33 O GLY A 4 12.081 -9.125 8.781 1.00 0.00 O ATOM 0 H GLY A 4 11.704 -7.802 11.723 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.275 -6.640 9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.027 -6.690 9.406 1.00 0.00 H new ATOM 37 N SER A 5 9.951 -9.266 9.493 1.00 0.00 N ATOM 38 CA SER A 5 9.786 -10.652 9.070 1.00 0.00 C ATOM 39 C SER A 5 8.370 -10.898 8.560 1.00 0.00 C ATOM 40 O SER A 5 7.397 -10.754 9.300 1.00 0.00 O ATOM 41 CB SER A 5 10.095 -11.601 10.229 1.00 0.00 C ATOM 42 OG SER A 5 9.064 -11.574 11.200 1.00 0.00 O ATOM 0 H SER A 5 9.125 -8.857 9.929 1.00 0.00 H new ATOM 0 HA SER A 5 10.485 -10.844 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.215 -12.616 9.850 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.041 -11.319 10.691 1.00 0.00 H new ATOM 0 HG SER A 5 8.343 -10.985 10.895 1.00 0.00 H new ATOM 48 N SER A 6 8.262 -11.272 7.288 1.00 0.00 N ATOM 49 CA SER A 6 6.965 -11.536 6.676 1.00 0.00 C ATOM 50 C SER A 6 7.030 -12.765 5.774 1.00 0.00 C ATOM 51 O SER A 6 7.812 -12.811 4.825 1.00 0.00 O ATOM 52 CB SER A 6 6.502 -10.321 5.870 1.00 0.00 C ATOM 53 OG SER A 6 6.215 -9.224 6.720 1.00 0.00 O ATOM 0 H SER A 6 9.057 -11.399 6.662 1.00 0.00 H new ATOM 0 HA SER A 6 6.247 -11.730 7.473 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.275 -10.039 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.614 -10.580 5.293 1.00 0.00 H new ATOM 0 HG SER A 6 5.923 -8.460 6.180 1.00 0.00 H new ATOM 59 N GLY A 7 6.202 -13.759 6.079 1.00 0.00 N ATOM 60 CA GLY A 7 6.181 -14.975 5.287 1.00 0.00 C ATOM 61 C GLY A 7 5.103 -14.955 4.222 1.00 0.00 C ATOM 62 O GLY A 7 4.521 -13.907 3.938 1.00 0.00 O ATOM 0 H GLY A 7 5.546 -13.744 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.153 -15.113 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.022 -15.830 5.944 1.00 0.00 H new ATOM 66 N ARG A 8 4.836 -16.114 3.629 1.00 0.00 N ATOM 67 CA ARG A 8 3.823 -16.224 2.587 1.00 0.00 C ATOM 68 C ARG A 8 3.284 -17.649 2.501 1.00 0.00 C ATOM 69 O ARG A 8 4.011 -18.615 2.732 1.00 0.00 O ATOM 70 CB ARG A 8 4.403 -15.805 1.235 1.00 0.00 C ATOM 71 CG ARG A 8 3.455 -16.029 0.069 1.00 0.00 C ATOM 72 CD ARG A 8 2.237 -15.122 0.158 1.00 0.00 C ATOM 73 NE ARG A 8 2.485 -13.813 -0.440 1.00 0.00 N ATOM 74 CZ ARG A 8 2.685 -13.624 -1.739 1.00 0.00 C ATOM 75 NH1 ARG A 8 2.666 -14.655 -2.573 1.00 0.00 N ATOM 76 NH2 ARG A 8 2.905 -12.402 -2.208 1.00 0.00 N ATOM 0 H ARG A 8 5.308 -16.990 3.853 1.00 0.00 H new ATOM 0 HA ARG A 8 3.000 -15.557 2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.672 -14.749 1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.323 -16.361 1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.980 -15.844 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.134 -17.071 0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.394 -15.596 -0.345 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.955 -14.996 1.203 1.00 0.00 H new ATOM 0 HE ARG A 8 2.506 -12.999 0.174 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.497 -15.596 -2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.820 -14.507 -3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.921 -11.606 -1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.058 -12.259 -3.206 1.00 0.00 H new ATOM 90 N LYS A 9 2.003 -17.772 2.168 1.00 0.00 N ATOM 91 CA LYS A 9 1.365 -19.078 2.050 1.00 0.00 C ATOM 92 C LYS A 9 0.017 -18.964 1.346 1.00 0.00 C ATOM 93 O LYS A 9 -0.685 -17.963 1.489 1.00 0.00 O ATOM 94 CB LYS A 9 1.178 -19.703 3.434 1.00 0.00 C ATOM 95 CG LYS A 9 0.751 -21.161 3.391 1.00 0.00 C ATOM 96 CD LYS A 9 1.230 -21.918 4.618 1.00 0.00 C ATOM 97 CE LYS A 9 0.226 -21.827 5.756 1.00 0.00 C ATOM 98 NZ LYS A 9 0.443 -20.613 6.591 1.00 0.00 N ATOM 0 H LYS A 9 1.386 -16.983 1.975 1.00 0.00 H new ATOM 0 HA LYS A 9 2.014 -19.719 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.113 -19.623 3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.431 -19.130 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.335 -21.221 3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.150 -21.632 2.493 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.395 -22.964 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.189 -21.515 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.785 -21.811 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.304 -22.717 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.144 -20.671 7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.445 -20.552 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.179 -19.766 6.048 1.00 0.00 H new ATOM 112 N ILE A 10 -0.337 -19.994 0.586 1.00 0.00 N ATOM 113 CA ILE A 10 -1.602 -20.010 -0.138 1.00 0.00 C ATOM 114 C ILE A 10 -2.363 -21.307 0.111 1.00 0.00 C ATOM 115 O ILE A 10 -1.914 -22.388 -0.273 1.00 0.00 O ATOM 116 CB ILE A 10 -1.386 -19.838 -1.654 1.00 0.00 C ATOM 117 CG1 ILE A 10 -0.662 -18.521 -1.942 1.00 0.00 C ATOM 118 CG2 ILE A 10 -2.717 -19.889 -2.388 1.00 0.00 C ATOM 119 CD1 ILE A 10 -0.005 -18.478 -3.304 1.00 0.00 C ATOM 0 H ILE A 10 0.234 -20.829 0.455 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.188 -19.170 0.235 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.764 -20.658 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.375 -17.700 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.096 -18.358 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.548 -19.766 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.197 -20.850 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.362 -19.087 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.489 -17.516 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.732 -19.278 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.762 -18.609 -4.077 1.00 0.00 H new ATOM 131 N LEU A 11 -3.519 -21.194 0.756 1.00 0.00 N ATOM 132 CA LEU A 11 -4.345 -22.358 1.057 1.00 0.00 C ATOM 133 C LEU A 11 -5.378 -22.591 -0.042 1.00 0.00 C ATOM 134 O LEU A 11 -5.765 -21.661 -0.750 1.00 0.00 O ATOM 135 CB LEU A 11 -5.048 -22.176 2.403 1.00 0.00 C ATOM 136 CG LEU A 11 -5.726 -23.419 2.980 1.00 0.00 C ATOM 137 CD1 LEU A 11 -4.700 -24.335 3.627 1.00 0.00 C ATOM 138 CD2 LEU A 11 -6.800 -23.024 3.983 1.00 0.00 C ATOM 0 H LEU A 11 -3.906 -20.308 1.081 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.694 -23.231 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.316 -21.817 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.800 -21.394 2.295 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.202 -23.961 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.201 -25.214 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.968 -24.646 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.194 -23.803 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.272 -23.921 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.347 -22.458 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.552 -22.409 3.488 1.00 0.00 H new ATOM 150 N ASP A 12 -5.821 -23.836 -0.175 1.00 0.00 N ATOM 151 CA ASP A 12 -6.812 -24.190 -1.185 1.00 0.00 C ATOM 152 C ASP A 12 -8.125 -24.614 -0.533 1.00 0.00 C ATOM 153 O ASP A 12 -8.350 -25.798 -0.281 1.00 0.00 O ATOM 154 CB ASP A 12 -6.284 -25.315 -2.076 1.00 0.00 C ATOM 155 CG ASP A 12 -5.127 -24.869 -2.948 1.00 0.00 C ATOM 156 OD1 ASP A 12 -4.293 -24.074 -2.465 1.00 0.00 O ATOM 157 OD2 ASP A 12 -5.055 -25.313 -4.113 1.00 0.00 O ATOM 0 H ASP A 12 -5.510 -24.617 0.403 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.000 -23.309 -1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.964 -26.149 -1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.092 -25.682 -2.709 1.00 0.00 H new ATOM 162 N SER A 13 -8.987 -23.640 -0.261 1.00 0.00 N ATOM 163 CA SER A 13 -10.275 -23.911 0.366 1.00 0.00 C ATOM 164 C SER A 13 -11.209 -22.713 0.230 1.00 0.00 C ATOM 165 O SER A 13 -10.762 -21.577 0.066 1.00 0.00 O ATOM 166 CB SER A 13 -10.083 -24.258 1.844 1.00 0.00 C ATOM 167 OG SER A 13 -9.643 -25.596 2.001 1.00 0.00 O ATOM 0 H SER A 13 -8.817 -22.655 -0.465 1.00 0.00 H new ATOM 0 HA SER A 13 -10.728 -24.761 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.356 -23.578 2.289 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.022 -24.115 2.379 1.00 0.00 H new ATOM 0 HG SER A 13 -9.427 -25.974 1.123 1.00 0.00 H new ATOM 173 N LYS A 14 -12.510 -22.974 0.299 1.00 0.00 N ATOM 174 CA LYS A 14 -13.509 -21.918 0.186 1.00 0.00 C ATOM 175 C LYS A 14 -13.137 -20.720 1.053 1.00 0.00 C ATOM 176 O LYS A 14 -13.006 -20.841 2.271 1.00 0.00 O ATOM 177 CB LYS A 14 -14.887 -22.447 0.591 1.00 0.00 C ATOM 178 CG LYS A 14 -14.860 -23.332 1.825 1.00 0.00 C ATOM 179 CD LYS A 14 -16.257 -23.781 2.221 1.00 0.00 C ATOM 180 CE LYS A 14 -16.649 -25.069 1.513 1.00 0.00 C ATOM 181 NZ LYS A 14 -18.012 -25.523 1.905 1.00 0.00 N ATOM 0 H LYS A 14 -12.897 -23.908 0.433 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.542 -21.593 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.552 -21.603 0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.309 -23.011 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.237 -24.206 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.403 -22.790 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.301 -23.930 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.975 -22.998 1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.613 -24.916 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.924 -25.848 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.243 -26.403 1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.040 -25.693 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.707 -24.790 1.657 1.00 0.00 H new ATOM 195 N ALA A 15 -12.969 -19.565 0.418 1.00 0.00 N ATOM 196 CA ALA A 15 -12.616 -18.345 1.133 1.00 0.00 C ATOM 197 C ALA A 15 -12.646 -17.136 0.204 1.00 0.00 C ATOM 198 O ALA A 15 -11.836 -17.029 -0.717 1.00 0.00 O ATOM 199 CB ALA A 15 -11.243 -18.487 1.773 1.00 0.00 C ATOM 0 H ALA A 15 -13.072 -19.449 -0.590 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.356 -18.186 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.992 -17.569 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.253 -19.321 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.498 -18.674 0.999 1.00 0.00 H new ATOM 205 N ILE A 16 -13.585 -16.229 0.451 1.00 0.00 N ATOM 206 CA ILE A 16 -13.720 -15.028 -0.363 1.00 0.00 C ATOM 207 C ILE A 16 -12.355 -14.493 -0.784 1.00 0.00 C ATOM 208 O ILE A 16 -11.527 -14.146 0.058 1.00 0.00 O ATOM 209 CB ILE A 16 -14.484 -13.921 0.387 1.00 0.00 C ATOM 210 CG1 ILE A 16 -15.829 -14.450 0.888 1.00 0.00 C ATOM 211 CG2 ILE A 16 -14.686 -12.712 -0.514 1.00 0.00 C ATOM 212 CD1 ILE A 16 -16.664 -15.098 -0.193 1.00 0.00 C ATOM 0 H ILE A 16 -14.264 -16.303 1.209 1.00 0.00 H new ATOM 0 HA ILE A 16 -14.287 -15.311 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.893 -13.612 1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.652 -15.175 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -16.393 -13.627 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -15.227 -11.939 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -13.716 -12.325 -0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -15.259 -13.005 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -17.603 -15.450 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -16.872 -14.370 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -16.120 -15.942 -0.616 1.00 0.00 H new ATOM 224 N ASP A 17 -12.129 -14.427 -2.091 1.00 0.00 N ATOM 225 CA ASP A 17 -10.865 -13.931 -2.624 1.00 0.00 C ATOM 226 C ASP A 17 -10.612 -12.495 -2.175 1.00 0.00 C ATOM 227 O ASP A 17 -10.783 -11.552 -2.949 1.00 0.00 O ATOM 228 CB ASP A 17 -10.867 -14.008 -4.152 1.00 0.00 C ATOM 229 CG ASP A 17 -12.261 -13.898 -4.736 1.00 0.00 C ATOM 230 OD1 ASP A 17 -13.025 -14.880 -4.636 1.00 0.00 O ATOM 231 OD2 ASP A 17 -12.589 -12.829 -5.294 1.00 0.00 O ATOM 0 H ASP A 17 -12.804 -14.711 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.063 -14.560 -2.237 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.244 -13.209 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.418 -14.950 -4.466 1.00 0.00 H new ATOM 236 N LEU A 18 -10.205 -12.336 -0.920 1.00 0.00 N ATOM 237 CA LEU A 18 -9.929 -11.015 -0.367 1.00 0.00 C ATOM 238 C LEU A 18 -8.493 -10.592 -0.658 1.00 0.00 C ATOM 239 O LEU A 18 -8.245 -9.480 -1.123 1.00 0.00 O ATOM 240 CB LEU A 18 -10.178 -11.011 1.142 1.00 0.00 C ATOM 241 CG LEU A 18 -11.576 -11.435 1.593 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.519 -12.094 2.962 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.516 -10.239 1.614 1.00 0.00 C ATOM 0 H LEU A 18 -10.059 -13.106 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.602 -10.301 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.450 -11.673 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.986 -10.007 1.519 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.961 -12.162 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.523 -12.389 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.881 -12.976 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.112 -11.390 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.506 -10.560 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.134 -9.488 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.582 -9.811 0.614 1.00 0.00 H new ATOM 255 N MET A 19 -7.550 -11.488 -0.383 1.00 0.00 N ATOM 256 CA MET A 19 -6.139 -11.208 -0.619 1.00 0.00 C ATOM 257 C MET A 19 -5.940 -10.505 -1.958 1.00 0.00 C ATOM 258 O MET A 19 -4.996 -9.735 -2.131 1.00 0.00 O ATOM 259 CB MET A 19 -5.327 -12.505 -0.585 1.00 0.00 C ATOM 260 CG MET A 19 -5.593 -13.419 -1.769 1.00 0.00 C ATOM 261 SD MET A 19 -7.219 -14.196 -1.696 1.00 0.00 S ATOM 262 CE MET A 19 -7.774 -13.978 -3.385 1.00 0.00 C ATOM 0 H MET A 19 -7.738 -12.413 0.003 1.00 0.00 H new ATOM 0 HA MET A 19 -5.788 -10.547 0.174 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.265 -12.259 -0.558 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.554 -13.042 0.336 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.510 -12.845 -2.692 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.826 -14.193 -1.805 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.354 -14.848 -3.693 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.396 -13.086 -3.451 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.910 -13.867 -4.040 1.00 0.00 H new ATOM 272 N ASN A 20 -6.835 -10.776 -2.902 1.00 0.00 N ATOM 273 CA ASN A 20 -6.757 -10.170 -4.226 1.00 0.00 C ATOM 274 C ASN A 20 -6.420 -8.686 -4.126 1.00 0.00 C ATOM 275 O ASN A 20 -5.586 -8.176 -4.874 1.00 0.00 O ATOM 276 CB ASN A 20 -8.079 -10.355 -4.973 1.00 0.00 C ATOM 277 CG ASN A 20 -7.912 -10.257 -6.477 1.00 0.00 C ATOM 278 OD1 ASN A 20 -7.743 -9.037 -6.975 1.00 0.00 O flip ATOM 279 ND2 ASN A 20 -7.934 -11.265 -7.183 1.00 0.00 N flip ATOM 0 H ASN A 20 -7.623 -11.411 -2.775 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.962 -10.668 -4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.503 -11.327 -4.720 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.791 -9.600 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.066 -12.183 -6.758 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.820 -11.183 -8.193 1.00 0.00 H new ATOM 286 N ALA A 21 -7.074 -7.997 -3.196 1.00 0.00 N ATOM 287 CA ALA A 21 -6.842 -6.572 -2.995 1.00 0.00 C ATOM 288 C ALA A 21 -5.351 -6.269 -2.889 1.00 0.00 C ATOM 289 O ALA A 21 -4.816 -5.460 -3.649 1.00 0.00 O ATOM 290 CB ALA A 21 -7.570 -6.089 -1.750 1.00 0.00 C ATOM 0 H ALA A 21 -7.769 -8.403 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.234 -6.039 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.388 -5.023 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.640 -6.262 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.205 -6.635 -0.880 1.00 0.00 H new ATOM 296 N LEU A 22 -4.685 -6.920 -1.942 1.00 0.00 N ATOM 297 CA LEU A 22 -3.255 -6.719 -1.736 1.00 0.00 C ATOM 298 C LEU A 22 -2.513 -6.683 -3.068 1.00 0.00 C ATOM 299 O LEU A 22 -1.794 -5.729 -3.364 1.00 0.00 O ATOM 300 CB LEU A 22 -2.686 -7.830 -0.852 1.00 0.00 C ATOM 301 CG LEU A 22 -2.708 -7.566 0.654 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.427 -8.847 1.424 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.699 -6.488 1.022 1.00 0.00 C ATOM 0 H LEU A 22 -5.112 -7.592 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.116 -5.760 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.244 -8.745 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.655 -8.015 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.702 -7.212 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.447 -8.640 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.188 -9.590 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.445 -9.230 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.729 -6.314 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.699 -6.812 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.946 -5.565 0.498 1.00 0.00 H new ATOM 315 N MET A 23 -2.693 -7.729 -3.869 1.00 0.00 N ATOM 316 CA MET A 23 -2.043 -7.815 -5.171 1.00 0.00 C ATOM 317 C MET A 23 -2.431 -6.631 -6.052 1.00 0.00 C ATOM 318 O MET A 23 -1.593 -6.070 -6.757 1.00 0.00 O ATOM 319 CB MET A 23 -2.416 -9.126 -5.866 1.00 0.00 C ATOM 320 CG MET A 23 -1.507 -10.288 -5.500 1.00 0.00 C ATOM 321 SD MET A 23 -2.071 -11.179 -4.038 1.00 0.00 S ATOM 322 CE MET A 23 -3.429 -12.125 -4.721 1.00 0.00 C ATOM 0 H MET A 23 -3.283 -8.528 -3.639 1.00 0.00 H new ATOM 0 HA MET A 23 -0.965 -7.790 -5.013 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.443 -9.384 -5.609 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.385 -8.977 -6.945 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.450 -10.978 -6.342 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.498 -9.914 -5.326 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.336 -11.924 -4.150 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.584 -11.839 -5.761 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.195 -13.188 -4.668 1.00 0.00 H new ATOM 332 N ARG A 24 -3.706 -6.258 -6.006 1.00 0.00 N ATOM 333 CA ARG A 24 -4.204 -5.142 -6.801 1.00 0.00 C ATOM 334 C ARG A 24 -3.472 -3.852 -6.445 1.00 0.00 C ATOM 335 O ARG A 24 -2.940 -3.166 -7.319 1.00 0.00 O ATOM 336 CB ARG A 24 -5.708 -4.965 -6.584 1.00 0.00 C ATOM 337 CG ARG A 24 -6.540 -6.120 -7.115 1.00 0.00 C ATOM 338 CD ARG A 24 -6.515 -6.172 -8.634 1.00 0.00 C ATOM 339 NE ARG A 24 -7.160 -5.006 -9.233 1.00 0.00 N ATOM 340 CZ ARG A 24 -8.473 -4.807 -9.223 1.00 0.00 C ATOM 341 NH1 ARG A 24 -9.277 -5.691 -8.649 1.00 0.00 N ATOM 342 NH2 ARG A 24 -8.984 -3.720 -9.789 1.00 0.00 N ATOM 0 H ARG A 24 -4.412 -6.712 -5.427 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.020 -5.366 -7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.901 -4.849 -5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.030 -4.043 -7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.161 -7.059 -6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.569 -6.017 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.482 -6.231 -8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.017 -7.078 -8.974 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.570 -4.307 -9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.888 -6.527 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.285 -5.535 -8.643 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.368 -3.038 -10.231 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.992 -3.567 -9.781 1.00 0.00 H new ATOM 356 N LEU A 25 -3.449 -3.526 -5.157 1.00 0.00 N ATOM 357 CA LEU A 25 -2.783 -2.318 -4.685 1.00 0.00 C ATOM 358 C LEU A 25 -1.390 -2.191 -5.294 1.00 0.00 C ATOM 359 O LEU A 25 -0.982 -1.109 -5.715 1.00 0.00 O ATOM 360 CB LEU A 25 -2.686 -2.328 -3.159 1.00 0.00 C ATOM 361 CG LEU A 25 -2.668 -0.959 -2.478 1.00 0.00 C ATOM 362 CD1 LEU A 25 -4.034 -0.297 -2.576 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.242 -1.093 -1.023 1.00 0.00 C ATOM 0 H LEU A 25 -3.884 -4.082 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.377 -1.459 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.529 -2.896 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.780 -2.864 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.943 -0.328 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.003 0.676 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.301 -0.167 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.779 -0.925 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.235 -0.109 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.943 -1.741 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.243 -1.525 -0.975 1.00 0.00 H new ATOM 375 N ASN A 26 -0.665 -3.304 -5.339 1.00 0.00 N ATOM 376 CA ASN A 26 0.682 -3.317 -5.898 1.00 0.00 C ATOM 377 C ASN A 26 0.642 -3.169 -7.416 1.00 0.00 C ATOM 378 O ASN A 26 1.488 -2.496 -8.005 1.00 0.00 O ATOM 379 CB ASN A 26 1.400 -4.614 -5.520 1.00 0.00 C ATOM 380 CG ASN A 26 1.497 -4.805 -4.018 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.055 -3.967 -3.309 1.00 0.00 O ATOM 382 ND2 ASN A 26 0.952 -5.912 -3.526 1.00 0.00 N ATOM 0 H ASN A 26 -0.988 -4.208 -4.995 1.00 0.00 H new ATOM 0 HA ASN A 26 1.230 -2.471 -5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.870 -5.460 -5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.402 -4.609 -5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.986 -6.095 -2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.500 -6.579 -4.151 1.00 0.00 H new ATOM 389 N GLN A 27 -0.345 -3.801 -8.041 1.00 0.00 N ATOM 390 CA GLN A 27 -0.495 -3.739 -9.490 1.00 0.00 C ATOM 391 C GLN A 27 -0.587 -2.293 -9.966 1.00 0.00 C ATOM 392 O GLN A 27 0.220 -1.844 -10.780 1.00 0.00 O ATOM 393 CB GLN A 27 -1.738 -4.514 -9.930 1.00 0.00 C ATOM 394 CG GLN A 27 -1.540 -6.021 -9.949 1.00 0.00 C ATOM 395 CD GLN A 27 -0.653 -6.479 -11.089 1.00 0.00 C ATOM 396 OE1 GLN A 27 0.514 -6.095 -11.175 1.00 0.00 O ATOM 397 NE2 GLN A 27 -1.202 -7.304 -11.973 1.00 0.00 N ATOM 0 H GLN A 27 -1.053 -4.362 -7.567 1.00 0.00 H new ATOM 0 HA GLN A 27 0.386 -4.195 -9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.563 -4.273 -9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.030 -4.182 -10.926 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.101 -6.338 -9.003 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.511 -6.510 -10.030 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.173 -7.597 -11.863 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.653 -7.645 -12.762 1.00 0.00 H new ATOM 406 N ILE A 28 -1.577 -1.569 -9.454 1.00 0.00 N ATOM 407 CA ILE A 28 -1.774 -0.174 -9.827 1.00 0.00 C ATOM 408 C ILE A 28 -0.654 0.705 -9.280 1.00 0.00 C ATOM 409 O ILE A 28 -0.206 1.641 -9.942 1.00 0.00 O ATOM 410 CB ILE A 28 -3.125 0.360 -9.316 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.328 -0.023 -7.848 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.264 -0.176 -10.171 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.426 0.761 -7.165 1.00 0.00 C ATOM 0 H ILE A 28 -2.255 -1.925 -8.780 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.765 -0.135 -10.916 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.121 1.447 -9.391 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.560 -1.086 -7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.393 0.131 -7.308 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.212 0.210 -9.797 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.124 0.142 -11.204 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.272 -1.265 -10.125 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.514 0.437 -6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.186 1.824 -7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.371 0.588 -7.680 1.00 0.00 H new ATOM 425 N ARG A 29 -0.204 0.396 -8.068 1.00 0.00 N ATOM 426 CA ARG A 29 0.864 1.157 -7.433 1.00 0.00 C ATOM 427 C ARG A 29 1.975 0.231 -6.944 1.00 0.00 C ATOM 428 O ARG A 29 1.982 -0.219 -5.798 1.00 0.00 O ATOM 429 CB ARG A 29 0.312 1.971 -6.261 1.00 0.00 C ATOM 430 CG ARG A 29 -1.037 2.610 -6.546 1.00 0.00 C ATOM 431 CD ARG A 29 -0.881 3.997 -7.149 1.00 0.00 C ATOM 432 NE ARG A 29 -0.164 3.963 -8.421 1.00 0.00 N ATOM 433 CZ ARG A 29 0.454 5.016 -8.945 1.00 0.00 C ATOM 434 NH1 ARG A 29 0.443 6.179 -8.309 1.00 0.00 N ATOM 435 NH2 ARG A 29 1.085 4.906 -10.107 1.00 0.00 N ATOM 0 H ARG A 29 -0.563 -0.376 -7.507 1.00 0.00 H new ATOM 0 HA ARG A 29 1.282 1.838 -8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.221 1.322 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.027 2.752 -6.003 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.603 1.977 -7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.612 2.676 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.866 4.440 -7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.347 4.639 -6.449 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.136 3.083 -8.935 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.041 6.267 -7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.918 6.986 -8.713 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.096 4.012 -10.599 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.559 5.715 -10.508 1.00 0.00 H new ATOM 449 N PRO A 30 2.935 -0.062 -7.833 1.00 0.00 N ATOM 450 CA PRO A 30 4.068 -0.937 -7.515 1.00 0.00 C ATOM 451 C PRO A 30 5.039 -0.293 -6.531 1.00 0.00 C ATOM 452 O PRO A 30 5.242 0.920 -6.547 1.00 0.00 O ATOM 453 CB PRO A 30 4.744 -1.149 -8.872 1.00 0.00 C ATOM 454 CG PRO A 30 4.369 0.049 -9.673 1.00 0.00 C ATOM 455 CD PRO A 30 2.990 0.438 -9.217 1.00 0.00 C ATOM 0 HA PRO A 30 3.747 -1.861 -7.034 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.826 -1.232 -8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.399 -2.067 -9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.077 0.862 -9.513 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.378 -0.176 -10.739 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.842 1.517 -9.261 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.218 -0.015 -9.839 1.00 0.00 H new ATOM 463 N GLY A 31 5.637 -1.115 -5.674 1.00 0.00 N ATOM 464 CA GLY A 31 6.580 -0.607 -4.694 1.00 0.00 C ATOM 465 C GLY A 31 5.913 0.251 -3.638 1.00 0.00 C ATOM 466 O GLY A 31 6.109 1.466 -3.599 1.00 0.00 O ATOM 0 H GLY A 31 5.486 -2.123 -5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.085 -1.444 -4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.347 -0.022 -5.202 1.00 0.00 H new ATOM 470 N LEU A 32 5.121 -0.381 -2.778 1.00 0.00 N ATOM 471 CA LEU A 32 4.420 0.333 -1.716 1.00 0.00 C ATOM 472 C LEU A 32 5.106 0.117 -0.371 1.00 0.00 C ATOM 473 O LEU A 32 5.966 -0.753 -0.235 1.00 0.00 O ATOM 474 CB LEU A 32 2.964 -0.129 -1.639 1.00 0.00 C ATOM 475 CG LEU A 32 2.069 0.276 -2.811 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.884 -0.671 -2.929 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.592 1.711 -2.648 1.00 0.00 C ATOM 0 H LEU A 32 4.948 -1.386 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 32 4.445 1.397 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.952 -1.216 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.527 0.264 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 32 2.654 0.211 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.258 -0.368 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.245 -1.686 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.299 -0.638 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.957 1.981 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.024 1.803 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.453 2.379 -2.614 1.00 0.00 H new ATOM 489 N GLN A 33 4.717 0.913 0.620 1.00 0.00 N ATOM 490 CA GLN A 33 5.294 0.808 1.955 1.00 0.00 C ATOM 491 C GLN A 33 4.210 0.896 3.024 1.00 0.00 C ATOM 492 O GLN A 33 3.523 1.910 3.144 1.00 0.00 O ATOM 493 CB GLN A 33 6.333 1.909 2.173 1.00 0.00 C ATOM 494 CG GLN A 33 5.727 3.292 2.349 1.00 0.00 C ATOM 495 CD GLN A 33 6.648 4.398 1.873 1.00 0.00 C ATOM 496 OE1 GLN A 33 7.180 5.166 2.675 1.00 0.00 O ATOM 497 NE2 GLN A 33 6.841 4.485 0.563 1.00 0.00 N ATOM 0 H GLN A 33 4.005 1.637 0.524 1.00 0.00 H new ATOM 0 HA GLN A 33 5.782 -0.163 2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.927 1.667 3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.016 1.926 1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.787 3.345 1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.490 3.449 3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.380 3.827 -0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.451 5.210 0.184 1.00 0.00 H new ATOM 506 N TYR A 34 4.063 -0.173 3.799 1.00 0.00 N ATOM 507 CA TYR A 34 3.061 -0.217 4.858 1.00 0.00 C ATOM 508 C TYR A 34 3.710 -0.058 6.229 1.00 0.00 C ATOM 509 O TYR A 34 4.840 -0.493 6.450 1.00 0.00 O ATOM 510 CB TYR A 34 2.285 -1.534 4.798 1.00 0.00 C ATOM 511 CG TYR A 34 1.834 -1.909 3.405 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.740 -2.387 2.466 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.503 -1.784 3.027 1.00 0.00 C ATOM 514 CE1 TYR A 34 2.332 -2.730 1.191 1.00 0.00 C ATOM 515 CE2 TYR A 34 0.086 -2.126 1.755 1.00 0.00 C ATOM 516 CZ TYR A 34 1.005 -2.599 0.840 1.00 0.00 C ATOM 517 OH TYR A 34 0.594 -2.939 -0.428 1.00 0.00 O ATOM 0 H TYR A 34 4.625 -1.020 3.714 1.00 0.00 H new ATOM 0 HA TYR A 34 2.370 0.612 4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.911 -2.333 5.195 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.412 -1.461 5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.780 -2.492 2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.218 -1.413 3.740 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.049 -3.099 0.473 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.953 -2.024 1.478 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.183 -3.533 -0.372 1.00 0.00 H new ATOM 527 N LYS A 35 2.985 0.570 7.149 1.00 0.00 N ATOM 528 CA LYS A 35 3.486 0.788 8.501 1.00 0.00 C ATOM 529 C LYS A 35 2.374 0.607 9.529 1.00 0.00 C ATOM 530 O LYS A 35 1.214 0.929 9.268 1.00 0.00 O ATOM 531 CB LYS A 35 4.087 2.190 8.625 1.00 0.00 C ATOM 532 CG LYS A 35 5.242 2.443 7.672 1.00 0.00 C ATOM 533 CD LYS A 35 5.849 3.820 7.885 1.00 0.00 C ATOM 534 CE LYS A 35 6.824 3.825 9.052 1.00 0.00 C ATOM 535 NZ LYS A 35 8.204 3.466 8.624 1.00 0.00 N ATOM 0 H LYS A 35 2.048 0.937 6.983 1.00 0.00 H new ATOM 0 HA LYS A 35 4.262 0.048 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.307 2.928 8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.432 2.339 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.008 1.681 7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.893 2.353 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.364 4.136 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.055 4.544 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.832 4.812 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.485 3.121 9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.838 3.481 9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.201 2.514 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.538 4.153 7.918 1.00 0.00 H new ATOM 549 N LEU A 36 2.734 0.091 10.699 1.00 0.00 N ATOM 550 CA LEU A 36 1.767 -0.131 11.768 1.00 0.00 C ATOM 551 C LEU A 36 1.733 1.055 12.727 1.00 0.00 C ATOM 552 O LEU A 36 2.547 1.146 13.647 1.00 0.00 O ATOM 553 CB LEU A 36 2.107 -1.411 12.533 1.00 0.00 C ATOM 554 CG LEU A 36 0.949 -2.075 13.279 1.00 0.00 C ATOM 555 CD1 LEU A 36 -0.013 -2.728 12.299 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.474 -3.098 14.276 1.00 0.00 C ATOM 0 H LEU A 36 3.689 -0.182 10.931 1.00 0.00 H new ATOM 0 HA LEU A 36 0.781 -0.237 11.316 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.520 -2.133 11.828 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.893 -1.182 13.253 1.00 0.00 H new ATOM 0 HG LEU A 36 0.408 -1.305 13.829 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.830 -3.195 12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.415 -1.972 11.625 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.515 -3.486 11.721 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.636 -3.561 14.798 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.040 -3.865 13.747 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.122 -2.602 14.999 1.00 0.00 H new ATOM 568 N LEU A 37 0.785 1.959 12.508 1.00 0.00 N ATOM 569 CA LEU A 37 0.643 3.139 13.354 1.00 0.00 C ATOM 570 C LEU A 37 0.787 2.773 14.827 1.00 0.00 C ATOM 571 O LEU A 37 1.600 3.355 15.545 1.00 0.00 O ATOM 572 CB LEU A 37 -0.713 3.804 13.112 1.00 0.00 C ATOM 573 CG LEU A 37 -0.931 4.398 11.720 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.347 4.938 11.586 1.00 0.00 C ATOM 575 CD2 LEU A 37 0.088 5.493 11.442 1.00 0.00 C ATOM 0 H LEU A 37 0.103 1.898 11.752 1.00 0.00 H new ATOM 0 HA LEU A 37 1.436 3.840 13.094 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.495 3.067 13.297 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.842 4.598 13.848 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.795 3.607 10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.484 5.357 10.589 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.061 4.129 11.741 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.512 5.716 12.332 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.082 5.904 10.447 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.016 6.284 12.184 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.094 5.076 11.495 1.00 0.00 H new ATOM 587 N SER A 38 -0.005 1.802 15.271 1.00 0.00 N ATOM 588 CA SER A 38 0.033 1.359 16.660 1.00 0.00 C ATOM 589 C SER A 38 -0.865 0.143 16.867 1.00 0.00 C ATOM 590 O SER A 38 -1.797 -0.090 16.098 1.00 0.00 O ATOM 591 CB SER A 38 -0.401 2.492 17.591 1.00 0.00 C ATOM 592 OG SER A 38 -0.465 2.051 18.936 1.00 0.00 O ATOM 0 H SER A 38 -0.681 1.307 14.689 1.00 0.00 H new ATOM 0 HA SER A 38 1.059 1.076 16.897 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.301 3.322 17.510 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.376 2.868 17.281 1.00 0.00 H new ATOM 0 HG SER A 38 -0.743 2.794 19.511 1.00 0.00 H new ATOM 598 N GLN A 39 -0.576 -0.627 17.911 1.00 0.00 N ATOM 599 CA GLN A 39 -1.357 -1.820 18.219 1.00 0.00 C ATOM 600 C GLN A 39 -1.962 -1.728 19.616 1.00 0.00 C ATOM 601 O GLN A 39 -1.277 -1.380 20.578 1.00 0.00 O ATOM 602 CB GLN A 39 -0.482 -3.070 18.110 1.00 0.00 C ATOM 603 CG GLN A 39 -1.251 -4.368 18.294 1.00 0.00 C ATOM 604 CD GLN A 39 -0.391 -5.480 18.862 1.00 0.00 C ATOM 605 OE1 GLN A 39 -0.194 -5.465 20.176 1.00 0.00 O flip ATOM 606 NE2 GLN A 39 0.093 -6.343 18.129 1.00 0.00 N flip ATOM 0 H GLN A 39 0.192 -0.447 18.557 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.169 -1.890 17.495 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.003 -3.080 17.134 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.309 -3.016 18.858 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.098 -4.193 18.958 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.659 -4.684 17.334 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.084 -6.317 17.125 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.671 -7.084 18.526 1.00 0.00 H new ATOM 615 N SER A 40 -3.249 -2.043 19.719 1.00 0.00 N ATOM 616 CA SER A 40 -3.948 -1.992 20.998 1.00 0.00 C ATOM 617 C SER A 40 -4.825 -3.226 21.188 1.00 0.00 C ATOM 618 O SER A 40 -5.043 -3.996 20.253 1.00 0.00 O ATOM 619 CB SER A 40 -4.802 -0.726 21.087 1.00 0.00 C ATOM 620 OG SER A 40 -5.066 -0.382 22.436 1.00 0.00 O ATOM 0 H SER A 40 -3.829 -2.336 18.933 1.00 0.00 H new ATOM 0 HA SER A 40 -3.201 -1.974 21.791 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.288 0.098 20.592 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.742 -0.880 20.557 1.00 0.00 H new ATOM 0 HG SER A 40 -5.612 0.431 22.465 1.00 0.00 H new ATOM 626 N GLY A 41 -5.326 -3.407 22.406 1.00 0.00 N ATOM 627 CA GLY A 41 -6.173 -4.549 22.697 1.00 0.00 C ATOM 628 C GLY A 41 -5.444 -5.630 23.469 1.00 0.00 C ATOM 629 O GLY A 41 -4.316 -5.444 23.926 1.00 0.00 O ATOM 0 H GLY A 41 -5.161 -2.784 23.196 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.039 -4.218 23.271 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.550 -4.965 21.763 1.00 0.00 H new ATOM 633 N PRO A 42 -6.095 -6.793 23.625 1.00 0.00 N ATOM 634 CA PRO A 42 -5.520 -7.931 24.348 1.00 0.00 C ATOM 635 C PRO A 42 -4.359 -8.570 23.595 1.00 0.00 C ATOM 636 O PRO A 42 -3.926 -8.066 22.558 1.00 0.00 O ATOM 637 CB PRO A 42 -6.691 -8.911 24.456 1.00 0.00 C ATOM 638 CG PRO A 42 -7.577 -8.569 23.308 1.00 0.00 C ATOM 639 CD PRO A 42 -7.442 -7.085 23.107 1.00 0.00 C ATOM 0 HA PRO A 42 -5.105 -7.634 25.311 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.349 -9.944 24.398 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.214 -8.801 25.406 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.280 -9.113 22.411 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.611 -8.842 23.519 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.537 -6.811 22.056 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.210 -6.534 23.650 1.00 0.00 H new ATOM 647 N VAL A 43 -3.858 -9.683 24.122 1.00 0.00 N ATOM 648 CA VAL A 43 -2.747 -10.392 23.497 1.00 0.00 C ATOM 649 C VAL A 43 -3.249 -11.443 22.515 1.00 0.00 C ATOM 650 O VAL A 43 -2.536 -11.836 21.591 1.00 0.00 O ATOM 651 CB VAL A 43 -1.854 -11.074 24.551 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.593 -12.227 25.211 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.557 -11.554 23.918 1.00 0.00 C ATOM 0 H VAL A 43 -4.204 -10.113 24.980 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.159 -9.649 22.959 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.608 -10.344 25.322 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.947 -12.697 25.952 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.492 -11.851 25.699 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.871 -12.961 24.455 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.062 -12.033 24.676 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.781 -12.270 23.127 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.021 -10.703 23.497 1.00 0.00 H new ATOM 663 N HIS A 44 -4.483 -11.896 22.719 1.00 0.00 N ATOM 664 CA HIS A 44 -5.082 -12.902 21.850 1.00 0.00 C ATOM 665 C HIS A 44 -5.928 -12.246 20.763 1.00 0.00 C ATOM 666 O HIS A 44 -6.039 -12.764 19.652 1.00 0.00 O ATOM 667 CB HIS A 44 -5.940 -13.867 22.668 1.00 0.00 C ATOM 668 CG HIS A 44 -7.049 -13.195 23.418 1.00 0.00 C ATOM 669 ND1 HIS A 44 -6.852 -12.508 24.597 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.373 -13.106 23.148 1.00 0.00 C ATOM 671 CE1 HIS A 44 -8.007 -12.026 25.021 1.00 0.00 C ATOM 672 NE2 HIS A 44 -8.946 -12.375 24.160 1.00 0.00 N ATOM 0 H HIS A 44 -5.087 -11.582 23.479 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.277 -13.460 21.372 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.366 -14.616 22.001 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.302 -14.396 23.376 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.883 -13.531 22.296 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.158 -11.445 25.919 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.936 -12.140 24.235 1.00 0.00 H new ATOM 681 N ALA A 45 -6.524 -11.105 21.092 1.00 0.00 N ATOM 682 CA ALA A 45 -7.359 -10.378 20.144 1.00 0.00 C ATOM 683 C ALA A 45 -6.865 -8.947 19.961 1.00 0.00 C ATOM 684 O ALA A 45 -7.618 -7.983 20.097 1.00 0.00 O ATOM 685 CB ALA A 45 -8.809 -10.383 20.605 1.00 0.00 C ATOM 0 H ALA A 45 -6.444 -10.664 22.008 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.294 -10.883 19.180 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.421 -9.836 19.887 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.165 -11.411 20.676 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.882 -9.905 21.582 1.00 0.00 H new ATOM 691 N PRO A 46 -5.570 -8.803 19.645 1.00 0.00 N ATOM 692 CA PRO A 46 -4.946 -7.493 19.438 1.00 0.00 C ATOM 693 C PRO A 46 -5.433 -6.815 18.161 1.00 0.00 C ATOM 694 O PRO A 46 -6.047 -7.451 17.304 1.00 0.00 O ATOM 695 CB PRO A 46 -3.455 -7.822 19.332 1.00 0.00 C ATOM 696 CG PRO A 46 -3.411 -9.236 18.864 1.00 0.00 C ATOM 697 CD PRO A 46 -4.614 -9.909 19.467 1.00 0.00 C ATOM 0 HA PRO A 46 -5.187 -6.796 20.241 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.952 -7.157 18.630 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.955 -7.708 20.294 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.439 -9.288 17.776 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.490 -9.724 19.183 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.012 -10.683 18.811 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.373 -10.388 20.416 1.00 0.00 H new ATOM 705 N VAL A 47 -5.155 -5.521 18.041 1.00 0.00 N ATOM 706 CA VAL A 47 -5.563 -4.757 16.868 1.00 0.00 C ATOM 707 C VAL A 47 -4.355 -4.180 16.140 1.00 0.00 C ATOM 708 O VAL A 47 -3.616 -3.363 16.691 1.00 0.00 O ATOM 709 CB VAL A 47 -6.516 -3.608 17.250 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.931 -2.825 16.014 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.734 -4.149 17.983 1.00 0.00 C ATOM 0 H VAL A 47 -4.649 -4.980 18.742 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.086 -5.448 16.207 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.989 -2.929 17.920 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.604 -2.018 16.304 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.046 -2.406 15.535 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.441 -3.490 15.316 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.397 -3.324 18.246 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.265 -4.850 17.339 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.415 -4.661 18.891 1.00 0.00 H new ATOM 721 N PHE A 48 -4.159 -4.609 14.898 1.00 0.00 N ATOM 722 CA PHE A 48 -3.039 -4.135 14.093 1.00 0.00 C ATOM 723 C PHE A 48 -3.488 -3.046 13.123 1.00 0.00 C ATOM 724 O PHE A 48 -4.106 -3.328 12.096 1.00 0.00 O ATOM 725 CB PHE A 48 -2.413 -5.296 13.318 1.00 0.00 C ATOM 726 CG PHE A 48 -1.540 -6.179 14.163 1.00 0.00 C ATOM 727 CD1 PHE A 48 -2.098 -7.139 14.992 1.00 0.00 C ATOM 728 CD2 PHE A 48 -0.161 -6.050 14.128 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.297 -7.952 15.771 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.645 -6.861 14.905 1.00 0.00 C ATOM 731 CZ PHE A 48 0.076 -7.814 15.727 1.00 0.00 C ATOM 0 H PHE A 48 -4.761 -5.284 14.427 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.294 -3.712 14.767 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.207 -5.898 12.877 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.822 -4.896 12.494 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.171 -7.253 15.030 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.289 -5.307 13.486 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.745 -8.695 16.414 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.719 -6.749 14.869 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.704 -8.450 16.334 1.00 0.00 H new ATOM 741 N THR A 49 -3.175 -1.798 13.458 1.00 0.00 N ATOM 742 CA THR A 49 -3.547 -0.665 12.619 1.00 0.00 C ATOM 743 C THR A 49 -2.474 -0.378 11.575 1.00 0.00 C ATOM 744 O THR A 49 -1.390 0.102 11.902 1.00 0.00 O ATOM 745 CB THR A 49 -3.781 0.604 13.461 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.841 0.382 14.398 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.125 1.788 12.570 1.00 0.00 C ATOM 0 H THR A 49 -2.665 -1.546 14.305 1.00 0.00 H new ATOM 0 HA THR A 49 -4.476 -0.935 12.116 1.00 0.00 H new ATOM 0 HB THR A 49 -2.861 0.830 14.001 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.982 1.193 14.930 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.286 2.673 13.186 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.304 1.973 11.877 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.032 1.568 12.007 1.00 0.00 H new ATOM 755 N MET A 50 -2.785 -0.675 10.318 1.00 0.00 N ATOM 756 CA MET A 50 -1.847 -0.447 9.225 1.00 0.00 C ATOM 757 C MET A 50 -2.147 0.871 8.517 1.00 0.00 C ATOM 758 O MET A 50 -3.193 1.481 8.739 1.00 0.00 O ATOM 759 CB MET A 50 -1.906 -1.602 8.223 1.00 0.00 C ATOM 760 CG MET A 50 -0.941 -2.733 8.542 1.00 0.00 C ATOM 761 SD MET A 50 0.748 -2.371 8.024 1.00 0.00 S ATOM 762 CE MET A 50 1.676 -3.415 9.145 1.00 0.00 C ATOM 0 H MET A 50 -3.679 -1.074 10.031 1.00 0.00 H new ATOM 0 HA MET A 50 -0.843 -0.393 9.647 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.921 -1.998 8.197 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.687 -1.219 7.226 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.955 -2.925 9.615 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.280 -3.645 8.050 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.220 -2.793 9.856 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.991 -4.068 9.685 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.383 -4.020 8.577 1.00 0.00 H new ATOM 772 N SER A 51 -1.222 1.304 7.666 1.00 0.00 N ATOM 773 CA SER A 51 -1.387 2.552 6.930 1.00 0.00 C ATOM 774 C SER A 51 -0.456 2.597 5.722 1.00 0.00 C ATOM 775 O SER A 51 0.663 2.085 5.767 1.00 0.00 O ATOM 776 CB SER A 51 -1.113 3.748 7.843 1.00 0.00 C ATOM 777 OG SER A 51 0.271 3.873 8.119 1.00 0.00 O ATOM 0 H SER A 51 -0.352 0.810 7.469 1.00 0.00 H new ATOM 0 HA SER A 51 -2.417 2.603 6.576 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.477 4.661 7.371 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.664 3.631 8.776 1.00 0.00 H new ATOM 0 HG SER A 51 0.613 3.024 8.468 1.00 0.00 H new ATOM 783 N VAL A 52 -0.926 3.212 4.642 1.00 0.00 N ATOM 784 CA VAL A 52 -0.137 3.325 3.421 1.00 0.00 C ATOM 785 C VAL A 52 -0.359 4.674 2.746 1.00 0.00 C ATOM 786 O VAL A 52 -1.393 5.313 2.939 1.00 0.00 O ATOM 787 CB VAL A 52 -0.480 2.202 2.425 1.00 0.00 C ATOM 788 CG1 VAL A 52 -1.853 2.433 1.811 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.587 2.104 1.345 1.00 0.00 C ATOM 0 H VAL A 52 -1.850 3.640 4.588 1.00 0.00 H new ATOM 0 HA VAL A 52 0.910 3.235 3.711 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.505 1.256 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.078 1.629 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.606 2.448 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.860 3.387 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.329 1.305 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.647 3.049 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.551 1.887 1.805 1.00 0.00 H new ATOM 799 N ASP A 53 0.618 5.100 1.953 1.00 0.00 N ATOM 800 CA ASP A 53 0.529 6.373 1.247 1.00 0.00 C ATOM 801 C ASP A 53 0.364 6.152 -0.253 1.00 0.00 C ATOM 802 O ASP A 53 1.302 5.739 -0.937 1.00 0.00 O ATOM 803 CB ASP A 53 1.774 7.219 1.517 1.00 0.00 C ATOM 804 CG ASP A 53 3.058 6.470 1.219 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.218 5.341 1.728 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.904 7.013 0.478 1.00 0.00 O ATOM 0 H ASP A 53 1.480 4.583 1.783 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.348 6.904 1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.734 8.123 0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.775 7.536 2.560 1.00 0.00 H new ATOM 811 N VAL A 54 -0.833 6.428 -0.759 1.00 0.00 N ATOM 812 CA VAL A 54 -1.121 6.260 -2.179 1.00 0.00 C ATOM 813 C VAL A 54 -1.774 7.509 -2.760 1.00 0.00 C ATOM 814 O VAL A 54 -2.735 8.036 -2.200 1.00 0.00 O ATOM 815 CB VAL A 54 -2.042 5.050 -2.425 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.343 4.901 -3.909 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.414 3.781 -1.870 1.00 0.00 C ATOM 0 H VAL A 54 -1.620 6.769 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.167 6.088 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.984 5.220 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.995 4.041 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.838 5.802 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.412 4.753 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.078 2.936 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.458 3.603 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.255 3.893 -0.797 1.00 0.00 H new ATOM 827 N ASP A 55 -1.246 7.977 -3.885 1.00 0.00 N ATOM 828 CA ASP A 55 -1.779 9.164 -4.544 1.00 0.00 C ATOM 829 C ASP A 55 -2.035 10.277 -3.533 1.00 0.00 C ATOM 830 O ASP A 55 -3.080 10.925 -3.559 1.00 0.00 O ATOM 831 CB ASP A 55 -3.073 8.824 -5.285 1.00 0.00 C ATOM 832 CG ASP A 55 -3.291 9.703 -6.501 1.00 0.00 C ATOM 833 OD1 ASP A 55 -3.070 10.928 -6.395 1.00 0.00 O ATOM 834 OD2 ASP A 55 -3.683 9.167 -7.559 1.00 0.00 O ATOM 0 H ASP A 55 -0.449 7.553 -4.360 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.039 9.514 -5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.047 7.779 -5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.918 8.934 -4.605 1.00 0.00 H new ATOM 839 N GLY A 56 -1.072 10.494 -2.642 1.00 0.00 N ATOM 840 CA GLY A 56 -1.213 11.528 -1.634 1.00 0.00 C ATOM 841 C GLY A 56 -2.377 11.272 -0.698 1.00 0.00 C ATOM 842 O GLY A 56 -2.959 12.206 -0.146 1.00 0.00 O ATOM 0 H GLY A 56 -0.197 9.972 -2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.292 11.593 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.350 12.492 -2.124 1.00 0.00 H new ATOM 846 N THR A 57 -2.722 10.000 -0.519 1.00 0.00 N ATOM 847 CA THR A 57 -3.826 9.623 0.354 1.00 0.00 C ATOM 848 C THR A 57 -3.392 8.569 1.366 1.00 0.00 C ATOM 849 O THR A 57 -3.178 7.408 1.016 1.00 0.00 O ATOM 850 CB THR A 57 -5.021 9.081 -0.454 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.214 9.872 -1.632 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.290 9.091 0.384 1.00 0.00 C ATOM 0 H THR A 57 -2.252 9.214 -0.968 1.00 0.00 H new ATOM 0 HA THR A 57 -4.133 10.525 0.883 1.00 0.00 H new ATOM 0 HB THR A 57 -4.802 8.052 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.478 9.710 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.120 8.704 -0.208 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.149 8.465 1.265 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.512 10.112 0.696 1.00 0.00 H new ATOM 860 N THR A 58 -3.264 8.980 2.624 1.00 0.00 N ATOM 861 CA THR A 58 -2.854 8.072 3.687 1.00 0.00 C ATOM 862 C THR A 58 -4.045 7.289 4.230 1.00 0.00 C ATOM 863 O THR A 58 -4.929 7.853 4.875 1.00 0.00 O ATOM 864 CB THR A 58 -2.182 8.830 4.847 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.161 9.696 4.338 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.577 7.860 5.850 1.00 0.00 C ATOM 0 H THR A 58 -3.439 9.937 2.931 1.00 0.00 H new ATOM 0 HA THR A 58 -2.134 7.380 3.250 1.00 0.00 H new ATOM 0 HB THR A 58 -2.943 9.423 5.354 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.739 10.176 5.081 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.108 8.419 6.660 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.361 7.221 6.257 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.828 7.244 5.354 1.00 0.00 H new ATOM 874 N TYR A 59 -4.061 5.987 3.965 1.00 0.00 N ATOM 875 CA TYR A 59 -5.144 5.127 4.426 1.00 0.00 C ATOM 876 C TYR A 59 -4.786 4.463 5.752 1.00 0.00 C ATOM 877 O TYR A 59 -3.616 4.390 6.125 1.00 0.00 O ATOM 878 CB TYR A 59 -5.457 4.059 3.376 1.00 0.00 C ATOM 879 CG TYR A 59 -5.959 4.626 2.068 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.073 5.051 1.086 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.321 4.734 1.812 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.528 5.570 -0.111 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.785 5.250 0.617 1.00 0.00 C ATOM 884 CZ TYR A 59 -6.884 5.667 -0.340 1.00 0.00 C ATOM 885 OH TYR A 59 -7.341 6.182 -1.532 1.00 0.00 O ATOM 0 H TYR A 59 -3.336 5.505 3.433 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.027 5.748 4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.558 3.473 3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.205 3.375 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.010 4.974 1.261 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.029 4.409 2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.825 5.898 -0.863 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.847 5.326 0.434 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.694 5.988 -2.242 1.00 0.00 H new ATOM 895 N GLU A 60 -5.804 3.980 6.459 1.00 0.00 N ATOM 896 CA GLU A 60 -5.597 3.322 7.743 1.00 0.00 C ATOM 897 C GLU A 60 -6.683 2.283 8.003 1.00 0.00 C ATOM 898 O GLU A 60 -7.870 2.606 8.042 1.00 0.00 O ATOM 899 CB GLU A 60 -5.582 4.354 8.873 1.00 0.00 C ATOM 900 CG GLU A 60 -4.487 5.398 8.730 1.00 0.00 C ATOM 901 CD GLU A 60 -4.708 6.601 9.626 1.00 0.00 C ATOM 902 OE1 GLU A 60 -5.424 6.461 10.640 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.165 7.681 9.315 1.00 0.00 O ATOM 0 H GLU A 60 -6.779 4.032 6.164 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.633 2.814 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.549 4.856 8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.457 3.837 9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.525 4.945 8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.437 5.727 7.692 1.00 0.00 H new ATOM 910 N ALA A 61 -6.267 1.033 8.180 1.00 0.00 N ATOM 911 CA ALA A 61 -7.204 -0.054 8.438 1.00 0.00 C ATOM 912 C ALA A 61 -6.731 -0.922 9.599 1.00 0.00 C ATOM 913 O ALA A 61 -5.596 -1.399 9.608 1.00 0.00 O ATOM 914 CB ALA A 61 -7.389 -0.899 7.186 1.00 0.00 C ATOM 0 H ALA A 61 -5.288 0.748 8.149 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.164 0.384 8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.091 -1.707 7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.779 -0.276 6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.429 -1.320 6.886 1.00 0.00 H new ATOM 920 N SER A 62 -7.608 -1.123 10.577 1.00 0.00 N ATOM 921 CA SER A 62 -7.279 -1.930 11.746 1.00 0.00 C ATOM 922 C SER A 62 -7.988 -3.279 11.692 1.00 0.00 C ATOM 923 O SER A 62 -9.198 -3.349 11.478 1.00 0.00 O ATOM 924 CB SER A 62 -7.663 -1.189 13.028 1.00 0.00 C ATOM 925 OG SER A 62 -9.016 -0.770 12.989 1.00 0.00 O ATOM 0 H SER A 62 -8.552 -0.738 10.583 1.00 0.00 H new ATOM 0 HA SER A 62 -6.203 -2.105 11.745 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.505 -1.839 13.889 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.014 -0.323 13.159 1.00 0.00 H new ATOM 0 HG SER A 62 -9.552 -1.439 12.514 1.00 0.00 H new ATOM 931 N GLY A 63 -7.226 -4.351 11.888 1.00 0.00 N ATOM 932 CA GLY A 63 -7.797 -5.684 11.858 1.00 0.00 C ATOM 933 C GLY A 63 -7.358 -6.530 13.037 1.00 0.00 C ATOM 934 O GLY A 63 -6.647 -6.068 13.929 1.00 0.00 O ATOM 0 H GLY A 63 -6.222 -4.319 12.067 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.884 -5.610 11.853 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.507 -6.179 10.931 1.00 0.00 H new ATOM 938 N PRO A 64 -7.788 -7.800 13.051 1.00 0.00 N ATOM 939 CA PRO A 64 -7.448 -8.739 14.125 1.00 0.00 C ATOM 940 C PRO A 64 -5.976 -9.135 14.104 1.00 0.00 C ATOM 941 O PRO A 64 -5.433 -9.599 15.106 1.00 0.00 O ATOM 942 CB PRO A 64 -8.332 -9.953 13.828 1.00 0.00 C ATOM 943 CG PRO A 64 -8.594 -9.882 12.363 1.00 0.00 C ATOM 944 CD PRO A 64 -8.639 -8.418 12.021 1.00 0.00 C ATOM 0 HA PRO A 64 -7.612 -8.306 15.112 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.830 -10.883 14.096 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.260 -9.916 14.398 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.810 -10.390 11.801 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.535 -10.371 12.111 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.258 -8.228 11.018 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.657 -8.029 12.054 1.00 0.00 H new ATOM 952 N SER A 65 -5.334 -8.948 12.955 1.00 0.00 N ATOM 953 CA SER A 65 -3.924 -9.289 12.802 1.00 0.00 C ATOM 954 C SER A 65 -3.253 -8.379 11.778 1.00 0.00 C ATOM 955 O SER A 65 -3.905 -7.547 11.147 1.00 0.00 O ATOM 956 CB SER A 65 -3.774 -10.751 12.378 1.00 0.00 C ATOM 957 OG SER A 65 -4.082 -11.626 13.449 1.00 0.00 O ATOM 0 H SER A 65 -5.768 -8.562 12.116 1.00 0.00 H new ATOM 0 HA SER A 65 -3.434 -9.146 13.765 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.432 -10.958 11.534 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.754 -10.932 12.038 1.00 0.00 H new ATOM 0 HG SER A 65 -4.426 -11.108 14.206 1.00 0.00 H new ATOM 963 N LYS A 66 -1.944 -8.543 11.618 1.00 0.00 N ATOM 964 CA LYS A 66 -1.182 -7.739 10.670 1.00 0.00 C ATOM 965 C LYS A 66 -1.464 -8.176 9.236 1.00 0.00 C ATOM 966 O LYS A 66 -1.815 -7.359 8.385 1.00 0.00 O ATOM 967 CB LYS A 66 0.316 -7.851 10.963 1.00 0.00 C ATOM 968 CG LYS A 66 1.116 -6.639 10.518 1.00 0.00 C ATOM 969 CD LYS A 66 2.609 -6.861 10.691 1.00 0.00 C ATOM 970 CE LYS A 66 3.023 -6.746 12.150 1.00 0.00 C ATOM 971 NZ LYS A 66 4.438 -7.161 12.359 1.00 0.00 N ATOM 0 H LYS A 66 -1.389 -9.226 12.133 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.491 -6.700 10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.458 -7.996 12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.709 -8.738 10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.898 -6.423 9.472 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.808 -5.767 11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.878 -7.847 10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.158 -6.130 10.097 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.893 -5.717 12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.368 -7.365 12.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.682 -7.068 13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.557 -8.151 12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.065 -6.554 11.794 1.00 0.00 H new ATOM 985 N LYS A 67 -1.309 -9.469 8.975 1.00 0.00 N ATOM 986 CA LYS A 67 -1.549 -10.016 7.645 1.00 0.00 C ATOM 987 C LYS A 67 -2.868 -9.501 7.075 1.00 0.00 C ATOM 988 O LYS A 67 -2.962 -9.185 5.889 1.00 0.00 O ATOM 989 CB LYS A 67 -1.566 -11.546 7.695 1.00 0.00 C ATOM 990 CG LYS A 67 -2.591 -12.111 8.663 1.00 0.00 C ATOM 991 CD LYS A 67 -2.874 -13.578 8.381 1.00 0.00 C ATOM 992 CE LYS A 67 -1.918 -14.486 9.140 1.00 0.00 C ATOM 993 NZ LYS A 67 -2.126 -15.920 8.797 1.00 0.00 N ATOM 0 H LYS A 67 -1.018 -10.159 9.668 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.739 -9.689 6.993 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.771 -11.932 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.576 -11.903 7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.228 -11.999 9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.517 -11.540 8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.901 -13.812 8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.786 -13.768 7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.890 -14.203 8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.057 -14.345 10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.456 -16.506 9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.099 -16.197 9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.969 -16.060 7.779 1.00 0.00 H new ATOM 1007 N THR A 68 -3.884 -9.418 7.928 1.00 0.00 N ATOM 1008 CA THR A 68 -5.196 -8.942 7.510 1.00 0.00 C ATOM 1009 C THR A 68 -5.230 -7.419 7.435 1.00 0.00 C ATOM 1010 O THR A 68 -5.768 -6.847 6.488 1.00 0.00 O ATOM 1011 CB THR A 68 -6.300 -9.422 8.470 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.176 -10.831 8.695 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.679 -9.113 7.907 1.00 0.00 C ATOM 0 H THR A 68 -3.823 -9.675 8.913 1.00 0.00 H new ATOM 0 HA THR A 68 -5.382 -9.356 6.519 1.00 0.00 H new ATOM 0 HB THR A 68 -6.184 -8.892 9.415 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.881 -11.128 9.308 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.442 -9.461 8.603 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.781 -8.037 7.765 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.803 -9.619 6.949 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.651 -6.769 8.439 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.613 -5.313 8.486 1.00 0.00 C ATOM 1023 C ALA A 69 -4.215 -4.731 7.133 1.00 0.00 C ATOM 1024 O ALA A 69 -4.952 -3.938 6.546 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.651 -4.844 9.567 1.00 0.00 C ATOM 0 H ALA A 69 -4.202 -7.228 9.231 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.614 -4.956 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.633 -3.754 9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.979 -5.222 10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.650 -5.219 9.351 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.046 -5.130 6.643 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.550 -4.649 5.359 1.00 0.00 C ATOM 1033 C LYS A 70 -3.603 -4.823 4.270 1.00 0.00 C ATOM 1034 O LYS A 70 -3.816 -3.928 3.449 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.271 -5.395 4.972 1.00 0.00 C ATOM 1036 CG LYS A 70 -0.003 -4.731 5.479 1.00 0.00 C ATOM 1037 CD LYS A 70 1.132 -5.732 5.620 1.00 0.00 C ATOM 1038 CE LYS A 70 1.809 -5.999 4.285 1.00 0.00 C ATOM 1039 NZ LYS A 70 2.938 -5.059 4.038 1.00 0.00 N ATOM 0 H LYS A 70 -2.424 -5.786 7.116 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.328 -3.587 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.320 -6.411 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.221 -5.474 3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.293 -3.938 4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.197 -4.262 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.866 -5.354 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.746 -6.667 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.179 -7.024 4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.078 -5.907 3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.609 -5.490 3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.571 -4.173 3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.424 -4.857 4.935 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.260 -5.977 4.267 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.293 -6.267 3.278 1.00 0.00 C ATOM 1055 C LEU A 71 -6.432 -5.257 3.368 1.00 0.00 C ATOM 1056 O LEU A 71 -6.808 -4.639 2.371 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.835 -7.684 3.479 1.00 0.00 C ATOM 1058 CG LEU A 71 -7.066 -8.054 2.652 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.660 -8.463 1.244 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.847 -9.172 3.329 1.00 0.00 C ATOM 0 H LEU A 71 -4.096 -6.728 4.938 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.844 -6.193 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.040 -8.392 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.078 -7.812 4.534 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.710 -7.177 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.549 -8.723 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.144 -7.634 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.995 -9.325 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.720 -9.423 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.211 -10.051 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.170 -8.844 4.317 1.00 0.00 H new ATOM 1072 N HIS A 72 -6.976 -5.092 4.569 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.071 -4.153 4.790 1.00 0.00 C ATOM 1074 C HIS A 72 -7.729 -2.777 4.227 1.00 0.00 C ATOM 1075 O HIS A 72 -8.576 -2.111 3.632 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.384 -4.043 6.282 1.00 0.00 C ATOM 1077 CG HIS A 72 -9.159 -5.207 6.820 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -10.111 -5.084 7.810 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -9.120 -6.521 6.498 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -10.623 -6.273 8.075 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -10.039 -7.162 7.292 1.00 0.00 N ATOM 0 H HIS A 72 -6.677 -5.596 5.404 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.951 -4.531 4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.449 -3.953 6.835 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.949 -3.128 6.460 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.485 -6.980 5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.389 -6.482 8.807 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.238 -8.162 7.279 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.483 -2.358 4.419 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.028 -1.061 3.930 1.00 0.00 C ATOM 1092 C VAL A 73 -6.206 -0.950 2.420 1.00 0.00 C ATOM 1093 O VAL A 73 -6.811 0.000 1.925 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.549 -0.816 4.281 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.009 0.382 3.514 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.383 -0.618 5.780 1.00 0.00 C ATOM 0 H VAL A 73 -5.770 -2.897 4.910 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.640 -0.305 4.422 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.974 -1.694 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.963 0.540 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.092 0.196 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.585 1.270 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.332 -0.446 6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.970 0.243 6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.728 -1.509 6.305 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.675 -1.928 1.694 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.778 -1.942 0.240 1.00 0.00 C ATOM 1108 C ALA A 74 -7.224 -1.765 -0.210 1.00 0.00 C ATOM 1109 O ALA A 74 -7.527 -0.903 -1.035 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.203 -3.236 -0.317 1.00 0.00 C ATOM 0 H ALA A 74 -5.169 -2.721 2.089 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.200 -1.104 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.286 -3.233 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.154 -3.320 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.756 -4.084 0.087 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.114 -2.588 0.336 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.528 -2.522 -0.009 1.00 0.00 C ATOM 1118 C VAL A 75 -10.024 -1.081 -0.023 1.00 0.00 C ATOM 1119 O VAL A 75 -10.660 -0.640 -0.981 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.385 -3.339 0.977 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.862 -3.205 0.638 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.958 -4.799 0.970 1.00 0.00 C ATOM 0 H VAL A 75 -7.880 -3.308 1.019 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.630 -2.948 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.230 -2.944 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.452 -3.789 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.156 -2.157 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.038 -3.573 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.574 -5.361 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.083 -5.210 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.911 -4.873 1.265 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.730 -0.349 1.046 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.143 1.045 1.158 1.00 0.00 C ATOM 1134 C LYS A 76 -9.682 1.848 -0.054 1.00 0.00 C ATOM 1135 O LYS A 76 -10.484 2.505 -0.718 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.579 1.665 2.438 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.140 1.051 3.709 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.312 1.432 4.925 1.00 0.00 C ATOM 1139 CE LYS A 76 -9.548 2.880 5.327 1.00 0.00 C ATOM 1140 NZ LYS A 76 -10.746 3.025 6.200 1.00 0.00 N ATOM 0 H LYS A 76 -9.206 -0.699 1.848 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.232 1.073 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.495 1.554 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.790 2.734 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.169 1.381 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.164 -0.034 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.564 0.776 5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.254 1.281 4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.670 3.260 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.675 3.489 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.873 4.026 6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.588 2.686 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.615 2.464 7.066 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.385 1.790 -0.338 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.817 2.510 -1.472 1.00 0.00 C ATOM 1156 C VAL A 77 -8.653 2.300 -2.730 1.00 0.00 C ATOM 1157 O VAL A 77 -9.161 3.255 -3.318 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.369 2.066 -1.751 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.783 2.854 -2.913 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.514 2.226 -0.503 1.00 0.00 C ATOM 0 H VAL A 77 -7.707 1.252 0.202 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.820 3.568 -1.209 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.377 1.011 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.759 2.526 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.383 2.684 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.786 3.917 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.494 1.908 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.511 3.272 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.924 1.613 0.300 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.792 1.043 -3.138 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.566 0.706 -4.327 1.00 0.00 C ATOM 1172 C LEU A 78 -10.952 1.341 -4.272 1.00 0.00 C ATOM 1173 O LEU A 78 -11.364 2.037 -5.200 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.693 -0.812 -4.464 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.390 -1.606 -4.365 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.673 -3.100 -4.385 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.446 -1.225 -5.496 1.00 0.00 C ATOM 0 H LEU A 78 -8.379 0.241 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.040 1.100 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.373 -1.171 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.157 -1.032 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.908 -1.361 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.734 -3.649 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.311 -3.361 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.177 -3.362 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.524 -1.800 -5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.920 -1.441 -6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.217 -0.161 -5.436 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.666 1.097 -3.178 1.00 0.00 N ATOM 1190 CA GLN A 79 -13.005 1.646 -3.001 1.00 0.00 C ATOM 1191 C GLN A 79 -13.007 3.156 -3.217 1.00 0.00 C ATOM 1192 O GLN A 79 -13.835 3.685 -3.957 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.534 1.317 -1.604 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.801 -0.164 -1.387 1.00 0.00 C ATOM 1195 CD GLN A 79 -14.613 -0.433 -0.136 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -15.773 -0.839 -0.210 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -14.007 -0.208 1.024 1.00 0.00 N ATOM 0 H GLN A 79 -11.340 0.523 -2.401 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.659 1.190 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.813 1.660 -0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.456 1.873 -1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.330 -0.565 -2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.851 -0.695 -1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.044 0.128 1.040 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.504 -0.372 1.899 1.00 0.00 H new ATOM 1206 N ALA A 80 -12.075 3.843 -2.564 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.969 5.291 -2.686 1.00 0.00 C ATOM 1208 C ALA A 80 -11.867 5.713 -4.148 1.00 0.00 C ATOM 1209 O ALA A 80 -12.609 6.582 -4.605 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.767 5.799 -1.903 1.00 0.00 C ATOM 0 H ALA A 80 -11.383 3.420 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.874 5.734 -2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.699 6.882 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.881 5.538 -0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.858 5.341 -2.294 1.00 0.00 H new ATOM 1216 N MET A 81 -10.944 5.093 -4.875 1.00 0.00 N ATOM 1217 CA MET A 81 -10.746 5.406 -6.286 1.00 0.00 C ATOM 1218 C MET A 81 -11.995 5.073 -7.096 1.00 0.00 C ATOM 1219 O MET A 81 -12.286 5.722 -8.099 1.00 0.00 O ATOM 1220 CB MET A 81 -9.545 4.634 -6.837 1.00 0.00 C ATOM 1221 CG MET A 81 -8.272 4.836 -6.033 1.00 0.00 C ATOM 1222 SD MET A 81 -6.782 4.629 -7.027 1.00 0.00 S ATOM 1223 CE MET A 81 -5.796 3.593 -5.949 1.00 0.00 C ATOM 0 H MET A 81 -10.322 4.371 -4.511 1.00 0.00 H new ATOM 0 HA MET A 81 -10.552 6.475 -6.373 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.786 3.571 -6.859 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.367 4.942 -7.867 1.00 0.00 H new ATOM 0 HG2 MET A 81 -8.277 5.835 -5.597 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.253 4.127 -5.205 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.761 3.594 -6.290 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.843 3.979 -4.931 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.183 2.574 -5.969 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.729 4.057 -6.654 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.937 3.656 -7.350 1.00 0.00 C ATOM 1235 C GLY A 82 -13.794 2.310 -8.034 1.00 0.00 C ATOM 1236 O GLY A 82 -14.337 2.095 -9.118 1.00 0.00 O ATOM 0 H GLY A 82 -12.508 3.504 -5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.764 3.613 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.192 4.412 -8.093 1.00 0.00 H new ATOM 1240 N TYR A 83 -13.059 1.403 -7.400 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.842 0.072 -7.956 1.00 0.00 C ATOM 1242 C TYR A 83 -13.676 -0.970 -7.216 1.00 0.00 C ATOM 1243 O TYR A 83 -13.951 -0.849 -6.022 1.00 0.00 O ATOM 1244 CB TYR A 83 -11.360 -0.299 -7.882 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.520 0.345 -8.962 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.624 -0.065 -10.286 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.623 1.361 -8.660 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.858 0.520 -11.277 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.855 1.952 -9.644 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.976 1.528 -10.950 1.00 0.00 C ATOM 1251 OH TYR A 83 -8.211 2.113 -11.933 1.00 0.00 O ATOM 0 H TYR A 83 -12.604 1.565 -6.502 1.00 0.00 H new ATOM 0 HA TYR A 83 -13.154 0.087 -9.000 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.969 -0.007 -6.907 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -11.261 -1.382 -7.954 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -11.315 -0.854 -10.545 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.524 1.695 -7.638 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.950 0.189 -12.301 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.163 2.742 -9.392 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.643 2.806 -11.536 1.00 0.00 H new ATOM 1261 N PRO A 84 -14.089 -2.019 -7.942 1.00 0.00 N ATOM 1262 CA PRO A 84 -14.896 -3.104 -7.377 1.00 0.00 C ATOM 1263 C PRO A 84 -14.105 -3.967 -6.399 1.00 0.00 C ATOM 1264 O PRO A 84 -13.243 -4.749 -6.801 1.00 0.00 O ATOM 1265 CB PRO A 84 -15.300 -3.923 -8.605 1.00 0.00 C ATOM 1266 CG PRO A 84 -14.238 -3.646 -9.612 1.00 0.00 C ATOM 1267 CD PRO A 84 -13.798 -2.228 -9.370 1.00 0.00 C ATOM 0 HA PRO A 84 -15.742 -2.725 -6.803 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.356 -4.986 -8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.282 -3.626 -8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.404 -4.338 -9.500 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.620 -3.769 -10.626 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.739 -2.093 -9.588 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.345 -1.525 -9.998 1.00 0.00 H new ATOM 1275 N THR A 85 -14.403 -3.820 -5.112 1.00 0.00 N ATOM 1276 CA THR A 85 -13.720 -4.585 -4.076 1.00 0.00 C ATOM 1277 C THR A 85 -14.620 -5.681 -3.518 1.00 0.00 C ATOM 1278 O THR A 85 -14.601 -5.963 -2.321 1.00 0.00 O ATOM 1279 CB THR A 85 -13.257 -3.677 -2.921 1.00 0.00 C ATOM 1280 OG1 THR A 85 -14.349 -2.871 -2.464 1.00 0.00 O ATOM 1281 CG2 THR A 85 -12.109 -2.782 -3.362 1.00 0.00 C ATOM 0 H THR A 85 -15.114 -3.177 -4.762 1.00 0.00 H new ATOM 0 HA THR A 85 -12.846 -5.040 -4.543 1.00 0.00 H new ATOM 0 HB THR A 85 -12.909 -4.312 -2.106 1.00 0.00 H new ATOM 0 HG1 THR A 85 -14.325 -2.811 -1.486 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.800 -2.150 -2.529 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.269 -3.399 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.435 -2.155 -4.192 1.00 0.00 H new ATOM 1289 N GLY A 86 -15.407 -6.298 -4.394 1.00 0.00 N ATOM 1290 CA GLY A 86 -16.303 -7.357 -3.969 1.00 0.00 C ATOM 1291 C GLY A 86 -16.933 -7.077 -2.619 1.00 0.00 C ATOM 1292 O GLY A 86 -17.196 -7.998 -1.845 1.00 0.00 O ATOM 0 H GLY A 86 -15.440 -6.083 -5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -17.089 -7.484 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.753 -8.297 -3.922 1.00 0.00 H new ATOM 1296 N PHE A 87 -17.175 -5.802 -2.334 1.00 0.00 N ATOM 1297 CA PHE A 87 -17.776 -5.402 -1.067 1.00 0.00 C ATOM 1298 C PHE A 87 -18.426 -4.026 -1.183 1.00 0.00 C ATOM 1299 O PHE A 87 -17.835 -3.092 -1.725 1.00 0.00 O ATOM 1300 CB PHE A 87 -16.720 -5.388 0.040 1.00 0.00 C ATOM 1301 CG PHE A 87 -17.254 -4.944 1.372 1.00 0.00 C ATOM 1302 CD1 PHE A 87 -18.302 -5.621 1.974 1.00 0.00 C ATOM 1303 CD2 PHE A 87 -16.707 -3.850 2.023 1.00 0.00 C ATOM 1304 CE1 PHE A 87 -18.796 -5.214 3.199 1.00 0.00 C ATOM 1305 CE2 PHE A 87 -17.196 -3.439 3.249 1.00 0.00 C ATOM 1306 CZ PHE A 87 -18.241 -4.123 3.838 1.00 0.00 C ATOM 0 H PHE A 87 -16.964 -5.028 -2.964 1.00 0.00 H new ATOM 0 HA PHE A 87 -18.548 -6.129 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -16.298 -6.388 0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -15.905 -4.727 -0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.738 -6.477 1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.889 -3.312 1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.615 -5.749 3.656 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.761 -2.584 3.745 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.624 -3.805 4.797 1.00 0.00 H new ATOM 1316 N ASP A 88 -19.646 -3.910 -0.670 1.00 0.00 N ATOM 1317 CA ASP A 88 -20.377 -2.649 -0.715 1.00 0.00 C ATOM 1318 C ASP A 88 -20.819 -2.227 0.683 1.00 0.00 C ATOM 1319 O ASP A 88 -20.782 -3.021 1.622 1.00 0.00 O ATOM 1320 CB ASP A 88 -21.595 -2.774 -1.632 1.00 0.00 C ATOM 1321 CG ASP A 88 -22.494 -3.932 -1.246 1.00 0.00 C ATOM 1322 OD1 ASP A 88 -23.006 -3.933 -0.107 1.00 0.00 O ATOM 1323 OD2 ASP A 88 -22.687 -4.838 -2.084 1.00 0.00 O ATOM 0 H ASP A 88 -20.149 -4.674 -0.218 1.00 0.00 H new ATOM 0 HA ASP A 88 -19.709 -1.884 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -22.167 -1.847 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -21.260 -2.905 -2.661 1.00 0.00 H new ATOM 1328 N ALA A 89 -21.235 -0.972 0.812 1.00 0.00 N ATOM 1329 CA ALA A 89 -21.684 -0.444 2.095 1.00 0.00 C ATOM 1330 C ALA A 89 -23.156 -0.050 2.041 1.00 0.00 C ATOM 1331 O ALA A 89 -23.495 1.131 2.128 1.00 0.00 O ATOM 1332 CB ALA A 89 -20.830 0.748 2.503 1.00 0.00 C ATOM 0 H ALA A 89 -21.271 -0.302 0.044 1.00 0.00 H new ATOM 0 HA ALA A 89 -21.573 -1.229 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -21.176 1.132 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -19.789 0.437 2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -20.912 1.530 1.748 1.00 0.00 H new ATOM 1338 N ASP A 90 -24.025 -1.044 1.897 1.00 0.00 N ATOM 1339 CA ASP A 90 -25.461 -0.800 1.832 1.00 0.00 C ATOM 1340 C ASP A 90 -26.212 -1.714 2.795 1.00 0.00 C ATOM 1341 O ASP A 90 -27.342 -2.122 2.526 1.00 0.00 O ATOM 1342 CB ASP A 90 -25.972 -1.013 0.406 1.00 0.00 C ATOM 1343 CG ASP A 90 -27.326 -0.372 0.174 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -28.061 -0.166 1.162 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -27.651 -0.077 -0.995 1.00 0.00 O ATOM 0 H ASP A 90 -23.760 -2.026 1.823 1.00 0.00 H new ATOM 0 HA ASP A 90 -25.642 0.234 2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -25.252 -0.600 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -26.040 -2.082 0.203 1.00 0.00 H new ATOM 1350 N ILE A 91 -25.575 -2.032 3.918 1.00 0.00 N ATOM 1351 CA ILE A 91 -26.183 -2.897 4.921 1.00 0.00 C ATOM 1352 C ILE A 91 -27.685 -2.652 5.021 1.00 0.00 C ATOM 1353 O ILE A 91 -28.152 -1.524 4.869 1.00 0.00 O ATOM 1354 CB ILE A 91 -25.546 -2.685 6.307 1.00 0.00 C ATOM 1355 CG1 ILE A 91 -25.767 -1.247 6.780 1.00 0.00 C ATOM 1356 CG2 ILE A 91 -24.061 -3.012 6.264 1.00 0.00 C ATOM 1357 CD1 ILE A 91 -25.553 -1.059 8.265 1.00 0.00 C ATOM 0 H ILE A 91 -24.639 -1.704 4.155 1.00 0.00 H new ATOM 0 HA ILE A 91 -26.006 -3.924 4.602 1.00 0.00 H new ATOM 0 HB ILE A 91 -26.026 -3.359 7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -25.090 -0.587 6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -26.782 -0.942 6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -23.626 -2.857 7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -23.926 -4.052 5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -23.566 -2.362 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -25.727 -0.016 8.528 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -26.248 -1.693 8.816 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -24.530 -1.333 8.523 1.00 0.00 H new ATOM 1369 N SER A 92 -28.436 -3.718 5.280 1.00 0.00 N ATOM 1370 CA SER A 92 -29.886 -3.620 5.398 1.00 0.00 C ATOM 1371 C SER A 92 -30.281 -2.994 6.733 1.00 0.00 C ATOM 1372 O SER A 92 -30.456 -3.691 7.731 1.00 0.00 O ATOM 1373 CB SER A 92 -30.525 -5.003 5.263 1.00 0.00 C ATOM 1374 OG SER A 92 -31.884 -4.902 4.872 1.00 0.00 O ATOM 0 H SER A 92 -28.064 -4.659 5.412 1.00 0.00 H new ATOM 0 HA SER A 92 -30.248 -2.980 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 92 -29.975 -5.591 4.528 1.00 0.00 H new ATOM 0 HB3 SER A 92 -30.455 -5.533 6.213 1.00 0.00 H new ATOM 0 HG SER A 92 -32.269 -5.800 4.791 1.00 0.00 H new ATOM 1380 N GLY A 93 -30.419 -1.671 6.741 1.00 0.00 N ATOM 1381 CA GLY A 93 -30.792 -0.972 7.957 1.00 0.00 C ATOM 1382 C GLY A 93 -29.637 -0.194 8.556 1.00 0.00 C ATOM 1383 O GLY A 93 -28.947 -0.664 9.461 1.00 0.00 O ATOM 0 H GLY A 93 -30.279 -1.072 5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -31.614 -0.289 7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -31.159 -1.692 8.688 1.00 0.00 H new ATOM 1387 N PRO A 94 -29.411 1.025 8.044 1.00 0.00 N ATOM 1388 CA PRO A 94 -28.331 1.895 8.519 1.00 0.00 C ATOM 1389 C PRO A 94 -28.589 2.425 9.925 1.00 0.00 C ATOM 1390 O PRO A 94 -29.727 2.722 10.287 1.00 0.00 O ATOM 1391 CB PRO A 94 -28.330 3.043 7.506 1.00 0.00 C ATOM 1392 CG PRO A 94 -29.718 3.075 6.968 1.00 0.00 C ATOM 1393 CD PRO A 94 -30.194 1.648 6.964 1.00 0.00 C ATOM 0 HA PRO A 94 -27.380 1.366 8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -28.067 3.989 7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -27.602 2.871 6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -30.362 3.699 7.587 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -29.737 3.496 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -31.265 1.581 7.154 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -30.010 1.165 6.004 1.00 0.00 H new ATOM 1401 N SER A 95 -27.525 2.542 10.712 1.00 0.00 N ATOM 1402 CA SER A 95 -27.637 3.034 12.081 1.00 0.00 C ATOM 1403 C SER A 95 -26.364 3.762 12.503 1.00 0.00 C ATOM 1404 O SER A 95 -25.389 3.815 11.754 1.00 0.00 O ATOM 1405 CB SER A 95 -27.918 1.876 13.040 1.00 0.00 C ATOM 1406 OG SER A 95 -27.054 0.782 12.785 1.00 0.00 O ATOM 0 H SER A 95 -26.576 2.303 10.426 1.00 0.00 H new ATOM 0 HA SER A 95 -28.468 3.739 12.121 1.00 0.00 H new ATOM 0 HB2 SER A 95 -27.790 2.212 14.069 1.00 0.00 H new ATOM 0 HB3 SER A 95 -28.955 1.557 12.936 1.00 0.00 H new ATOM 0 HG SER A 95 -27.252 0.055 13.412 1.00 0.00 H new ATOM 1412 N SER A 96 -26.382 4.322 13.708 1.00 0.00 N ATOM 1413 CA SER A 96 -25.232 5.050 14.230 1.00 0.00 C ATOM 1414 C SER A 96 -23.997 4.155 14.274 1.00 0.00 C ATOM 1415 O SER A 96 -22.941 4.508 13.749 1.00 0.00 O ATOM 1416 CB SER A 96 -25.535 5.590 15.629 1.00 0.00 C ATOM 1417 OG SER A 96 -24.406 6.250 16.176 1.00 0.00 O ATOM 0 H SER A 96 -27.181 4.285 14.341 1.00 0.00 H new ATOM 0 HA SER A 96 -25.029 5.887 13.562 1.00 0.00 H new ATOM 0 HB2 SER A 96 -26.377 6.281 15.581 1.00 0.00 H new ATOM 0 HB3 SER A 96 -25.833 4.770 16.282 1.00 0.00 H new ATOM 0 HG SER A 96 -24.625 6.587 17.070 1.00 0.00 H new ATOM 1423 N GLY A 97 -24.138 2.993 14.905 1.00 0.00 N ATOM 1424 CA GLY A 97 -23.027 2.065 15.007 1.00 0.00 C ATOM 1425 C GLY A 97 -21.717 2.761 15.321 1.00 0.00 C ATOM 1426 O GLY A 97 -21.446 3.097 16.474 1.00 0.00 O ATOM 0 H GLY A 97 -25.002 2.678 15.347 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -23.241 1.331 15.784 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -22.928 1.517 14.070 1.00 0.00 H new TER 1430 GLY A 97