USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 697 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 89 HIS : no HE2:sc= -2.62! X(o=-3.5!,f=-3.1) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= -0.91 USER MOD Set 2.1: A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 15 THR OG1 : rot -160:sc= 0.0794 USER MOD Set 3.2: A 37 ASN : amide:sc= 0.314 K(o=0.39,f=-2.2!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -58:sc= 0.0606 USER MOD Single : A 20 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.6) USER MOD Single : A 28 GLN : amide:sc= -0.0392 K(o=-0.039,f=-0.65) USER MOD Single : A 31 SER OG : rot 29:sc= -0.0699 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -5.65! C(o=-5.7!,f=-7!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.73 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -107:sc= 0.506 USER MOD Single : A 74 HIS : no HD1:sc= -8.98! C(o=-9!,f=-7.7!) USER MOD Single : A 76 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.41) USER MOD Single : A 79 HIS : no HE2:sc= -8.89! C(o=-8.9!,f=-8.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0149) USER MOD Single : A 86 ASN : amide:sc= 0.339 K(o=0.34,f=-4.4!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ASP A 10 -5.614 17.809 -3.295 1.00 0.00 N ATOM 90 CA ASP A 10 -5.492 16.936 -4.457 1.00 0.00 C ATOM 91 C ASP A 10 -5.303 15.484 -4.028 1.00 0.00 C ATOM 92 O ASP A 10 -4.211 14.930 -4.145 1.00 0.00 O ATOM 93 CB ASP A 10 -4.319 17.379 -5.333 1.00 0.00 C ATOM 94 CG ASP A 10 -4.391 18.849 -5.696 1.00 0.00 C ATOM 95 OD1 ASP A 10 -4.706 19.666 -4.806 1.00 0.00 O ATOM 96 OD2 ASP A 10 -4.130 19.183 -6.871 1.00 0.00 O ATOM 0 HA ASP A 10 -6.414 17.008 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.384 17.182 -4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.305 16.783 -6.245 1.00 0.00 H new ATOM 101 N ALA A 11 -6.374 14.875 -3.531 1.00 0.00 N ATOM 102 CA ALA A 11 -6.327 13.488 -3.086 1.00 0.00 C ATOM 103 C ALA A 11 -6.970 12.560 -4.111 1.00 0.00 C ATOM 104 O ALA A 11 -6.597 11.392 -4.225 1.00 0.00 O ATOM 105 CB ALA A 11 -7.013 13.343 -1.736 1.00 0.00 C ATOM 0 H ALA A 11 -7.285 15.321 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.281 13.201 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.970 12.302 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.507 13.969 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.054 13.654 -1.822 1.00 0.00 H new ATOM 111 N ARG A 12 -7.938 13.087 -4.854 1.00 0.00 N ATOM 112 CA ARG A 12 -8.634 12.304 -5.868 1.00 0.00 C ATOM 113 C ARG A 12 -7.803 12.205 -7.144 1.00 0.00 C ATOM 114 O ARG A 12 -8.107 11.412 -8.035 1.00 0.00 O ATOM 115 CB ARG A 12 -9.995 12.930 -6.180 1.00 0.00 C ATOM 116 CG ARG A 12 -11.020 12.743 -5.073 1.00 0.00 C ATOM 117 CD ARG A 12 -12.438 12.737 -5.622 1.00 0.00 C ATOM 118 NE ARG A 12 -13.436 12.798 -4.559 1.00 0.00 N ATOM 119 CZ ARG A 12 -13.618 13.859 -3.780 1.00 0.00 C ATOM 120 NH1 ARG A 12 -12.872 14.943 -3.947 1.00 0.00 N ATOM 121 NH2 ARG A 12 -14.547 13.838 -2.834 1.00 0.00 N ATOM 0 H ARG A 12 -8.258 14.052 -4.773 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.785 11.299 -5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.861 13.996 -6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.383 12.494 -7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.827 11.806 -4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.916 13.543 -4.340 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.571 13.586 -6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.594 11.835 -6.214 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.027 11.981 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.157 14.963 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.013 15.756 -3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.123 13.007 -2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.685 14.653 -2.237 1.00 0.00 H new ATOM 135 N ARG A 13 -6.754 13.017 -7.225 1.00 0.00 N ATOM 136 CA ARG A 13 -5.880 13.022 -8.392 1.00 0.00 C ATOM 137 C ARG A 13 -4.700 12.076 -8.192 1.00 0.00 C ATOM 138 O ARG A 13 -3.560 12.411 -8.517 1.00 0.00 O ATOM 139 CB ARG A 13 -5.372 14.438 -8.669 1.00 0.00 C ATOM 140 CG ARG A 13 -6.432 15.365 -9.240 1.00 0.00 C ATOM 141 CD ARG A 13 -7.434 15.788 -8.177 1.00 0.00 C ATOM 142 NE ARG A 13 -8.041 17.081 -8.481 1.00 0.00 N ATOM 143 CZ ARG A 13 -9.030 17.242 -9.353 1.00 0.00 C ATOM 144 NH1 ARG A 13 -9.520 16.196 -10.005 1.00 0.00 N ATOM 145 NH2 ARG A 13 -9.530 18.450 -9.576 1.00 0.00 N ATOM 0 H ARG A 13 -6.489 13.680 -6.496 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.458 12.677 -9.249 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.989 14.865 -7.742 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.535 14.385 -9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.954 16.249 -9.663 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.954 14.864 -10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.215 15.032 -8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.935 15.840 -7.209 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.686 17.906 -7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.137 15.265 -9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.279 16.322 -10.674 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.155 19.257 -9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.289 18.572 -10.246 1.00 0.00 H new ATOM 159 N LEU A 14 -4.980 10.894 -7.654 1.00 0.00 N ATOM 160 CA LEU A 14 -3.941 9.900 -7.410 1.00 0.00 C ATOM 161 C LEU A 14 -4.303 8.565 -8.054 1.00 0.00 C ATOM 162 O LEU A 14 -5.439 8.100 -7.951 1.00 0.00 O ATOM 163 CB LEU A 14 -3.731 9.712 -5.906 1.00 0.00 C ATOM 164 CG LEU A 14 -2.759 10.685 -5.238 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.479 11.956 -4.818 1.00 0.00 C ATOM 166 CD2 LEU A 14 -2.088 10.029 -4.039 1.00 0.00 C ATOM 0 H LEU A 14 -5.917 10.601 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.015 10.260 -7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.698 9.798 -5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.374 8.697 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.988 10.951 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.771 12.636 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.912 12.436 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.272 11.709 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.400 10.736 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.847 9.733 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.537 9.148 -4.368 1.00 0.00 H new ATOM 178 N THR A 15 -3.328 7.952 -8.719 1.00 0.00 N ATOM 179 CA THR A 15 -3.543 6.670 -9.379 1.00 0.00 C ATOM 180 C THR A 15 -2.647 5.589 -8.787 1.00 0.00 C ATOM 181 O THR A 15 -1.425 5.733 -8.750 1.00 0.00 O ATOM 182 CB THR A 15 -3.278 6.768 -10.894 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.670 8.057 -11.378 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.037 5.685 -11.647 1.00 0.00 C ATOM 0 H THR A 15 -2.383 8.323 -8.815 1.00 0.00 H new ATOM 0 HA THR A 15 -4.587 6.401 -9.216 1.00 0.00 H new ATOM 0 HB THR A 15 -2.211 6.627 -11.064 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.803 8.016 -12.348 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.835 5.774 -12.714 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.714 4.704 -11.297 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.106 5.800 -11.470 1.00 0.00 H new ATOM 192 N VAL A 16 -3.261 4.506 -8.323 1.00 0.00 N ATOM 193 CA VAL A 16 -2.519 3.398 -7.733 1.00 0.00 C ATOM 194 C VAL A 16 -2.156 2.357 -8.786 1.00 0.00 C ATOM 195 O VAL A 16 -3.014 1.893 -9.536 1.00 0.00 O ATOM 196 CB VAL A 16 -3.323 2.718 -6.610 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.616 1.458 -6.134 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.546 3.683 -5.455 1.00 0.00 C ATOM 0 H VAL A 16 -4.272 4.372 -8.344 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.606 3.818 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.297 2.431 -7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.199 0.991 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.514 0.762 -6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.628 1.717 -5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.116 3.186 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.583 4.003 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.099 4.553 -5.809 1.00 0.00 H new ATOM 208 N MET A 17 -0.879 1.994 -8.836 1.00 0.00 N ATOM 209 CA MET A 17 -0.402 1.005 -9.796 1.00 0.00 C ATOM 210 C MET A 17 0.203 -0.199 -9.082 1.00 0.00 C ATOM 211 O MET A 17 0.253 -0.243 -7.853 1.00 0.00 O ATOM 212 CB MET A 17 0.633 1.630 -10.733 1.00 0.00 C ATOM 213 CG MET A 17 0.110 2.835 -11.500 1.00 0.00 C ATOM 214 SD MET A 17 1.163 3.280 -12.894 1.00 0.00 S ATOM 215 CE MET A 17 0.230 2.588 -14.257 1.00 0.00 C ATOM 0 H MET A 17 -0.155 2.370 -8.223 1.00 0.00 H new ATOM 0 HA MET A 17 -1.255 0.665 -10.383 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.504 1.931 -10.150 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.970 0.875 -11.444 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.896 2.622 -11.863 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.031 3.686 -10.823 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.755 2.782 -15.193 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.124 1.512 -14.117 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.758 3.048 -14.293 1.00 0.00 H new ATOM 225 N SER A 18 0.660 -1.175 -9.860 1.00 0.00 N ATOM 226 CA SER A 18 1.258 -2.382 -9.301 1.00 0.00 C ATOM 227 C SER A 18 0.566 -2.779 -8.001 1.00 0.00 C ATOM 228 O SER A 18 1.221 -3.084 -7.003 1.00 0.00 O ATOM 229 CB SER A 18 2.752 -2.168 -9.053 1.00 0.00 C ATOM 230 OG SER A 18 3.422 -3.405 -8.877 1.00 0.00 O ATOM 0 H SER A 18 0.628 -1.154 -10.879 1.00 0.00 H new ATOM 0 HA SER A 18 1.129 -3.190 -10.022 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.190 -1.630 -9.894 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.892 -1.546 -8.169 1.00 0.00 H new ATOM 0 HG SER A 18 3.020 -3.891 -8.127 1.00 0.00 H new ATOM 236 N LEU A 19 -0.762 -2.772 -8.019 1.00 0.00 N ATOM 237 CA LEU A 19 -1.545 -3.131 -6.841 1.00 0.00 C ATOM 238 C LEU A 19 -2.027 -4.575 -6.928 1.00 0.00 C ATOM 239 O LEU A 19 -2.715 -4.954 -7.876 1.00 0.00 O ATOM 240 CB LEU A 19 -2.742 -2.189 -6.694 1.00 0.00 C ATOM 241 CG LEU A 19 -3.534 -2.310 -5.392 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.733 -1.754 -4.225 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.871 -1.593 -5.513 1.00 0.00 C ATOM 0 H LEU A 19 -1.319 -2.522 -8.836 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.904 -3.034 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.385 -1.163 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.422 -2.365 -7.527 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.726 -3.366 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.313 -1.849 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.802 -2.311 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.509 -0.703 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.422 -1.689 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.700 -0.538 -5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.450 -2.038 -6.322 1.00 0.00 H new ATOM 255 N GLN A 20 -1.663 -5.376 -5.931 1.00 0.00 N ATOM 256 CA GLN A 20 -2.061 -6.778 -5.895 1.00 0.00 C ATOM 257 C GLN A 20 -3.260 -6.980 -4.975 1.00 0.00 C ATOM 258 O GLN A 20 -3.246 -6.557 -3.820 1.00 0.00 O ATOM 259 CB GLN A 20 -0.893 -7.649 -5.428 1.00 0.00 C ATOM 260 CG GLN A 20 -0.940 -9.070 -5.967 1.00 0.00 C ATOM 261 CD GLN A 20 0.382 -9.796 -5.815 1.00 0.00 C ATOM 262 OE1 GLN A 20 1.181 -9.477 -4.933 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.621 -10.779 -6.675 1.00 0.00 N ATOM 0 H GLN A 20 -1.094 -5.078 -5.139 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.346 -7.075 -6.904 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.043 -7.183 -5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.888 -7.682 -4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.718 -9.627 -5.445 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.218 -9.046 -7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.069 -11.010 -7.390 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.494 -11.303 -6.621 1.00 0.00 H new ATOM 272 N GLU A 21 -4.297 -7.629 -5.496 1.00 0.00 N ATOM 273 CA GLU A 21 -5.505 -7.886 -4.721 1.00 0.00 C ATOM 274 C GLU A 21 -5.789 -9.382 -4.636 1.00 0.00 C ATOM 275 O GLU A 21 -6.083 -9.909 -3.562 1.00 0.00 O ATOM 276 CB GLU A 21 -6.701 -7.163 -5.345 1.00 0.00 C ATOM 277 CG GLU A 21 -6.675 -7.144 -6.864 1.00 0.00 C ATOM 278 CD GLU A 21 -7.611 -6.105 -7.450 1.00 0.00 C ATOM 279 OE1 GLU A 21 -7.455 -4.911 -7.120 1.00 0.00 O ATOM 280 OE2 GLU A 21 -8.500 -6.486 -8.241 1.00 0.00 O ATOM 0 H GLU A 21 -4.325 -7.986 -6.451 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.346 -7.506 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.620 -7.644 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.727 -6.137 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.659 -6.945 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.950 -8.129 -7.241 1.00 0.00 H new ATOM 287 N SER A 22 -5.699 -10.062 -5.774 1.00 0.00 N ATOM 288 CA SER A 22 -5.950 -11.497 -5.830 1.00 0.00 C ATOM 289 C SER A 22 -4.659 -12.265 -6.097 1.00 0.00 C ATOM 290 O SER A 22 -4.685 -13.401 -6.568 1.00 0.00 O ATOM 291 CB SER A 22 -6.979 -11.815 -6.916 1.00 0.00 C ATOM 292 OG SER A 22 -6.412 -11.688 -8.209 1.00 0.00 O ATOM 0 H SER A 22 -5.454 -9.642 -6.671 1.00 0.00 H new ATOM 0 HA SER A 22 -6.345 -11.809 -4.863 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.356 -12.829 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.832 -11.142 -6.822 1.00 0.00 H new ATOM 0 HG SER A 22 -7.089 -11.898 -8.885 1.00 0.00 H new ATOM 298 N GLY A 23 -3.529 -11.634 -5.791 1.00 0.00 N ATOM 299 CA GLY A 23 -2.243 -12.271 -6.005 1.00 0.00 C ATOM 300 C GLY A 23 -1.372 -12.251 -4.764 1.00 0.00 C ATOM 301 O GLY A 23 -0.456 -13.062 -4.625 1.00 0.00 O ATOM 0 H GLY A 23 -3.482 -10.694 -5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.400 -13.303 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.722 -11.767 -6.819 1.00 0.00 H new ATOM 305 N LEU A 24 -1.657 -11.321 -3.859 1.00 0.00 N ATOM 306 CA LEU A 24 -0.893 -11.197 -2.623 1.00 0.00 C ATOM 307 C LEU A 24 -0.491 -12.568 -2.090 1.00 0.00 C ATOM 308 O LEU A 24 -1.219 -13.548 -2.256 1.00 0.00 O ATOM 309 CB LEU A 24 -1.708 -10.446 -1.568 1.00 0.00 C ATOM 310 CG LEU A 24 -1.572 -8.923 -1.574 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.171 -8.329 -0.308 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.112 -8.518 -1.716 1.00 0.00 C ATOM 0 H LEU A 24 -2.412 -10.642 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 24 0.014 -10.633 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.760 -10.697 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.417 -10.813 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.122 -8.532 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.065 -7.244 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.228 -8.589 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.650 -8.727 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.035 -7.431 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.460 -8.921 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.286 -8.912 -2.651 1.00 0.00 H new ATOM 324 N LYS A 25 0.670 -12.631 -1.447 1.00 0.00 N ATOM 325 CA LYS A 25 1.167 -13.882 -0.886 1.00 0.00 C ATOM 326 C LYS A 25 1.480 -13.726 0.599 1.00 0.00 C ATOM 327 O LYS A 25 2.215 -12.822 0.997 1.00 0.00 O ATOM 328 CB LYS A 25 2.421 -14.338 -1.636 1.00 0.00 C ATOM 329 CG LYS A 25 2.155 -14.739 -3.077 1.00 0.00 C ATOM 330 CD LYS A 25 3.360 -15.429 -3.695 1.00 0.00 C ATOM 331 CE LYS A 25 4.387 -14.421 -4.187 1.00 0.00 C ATOM 332 NZ LYS A 25 3.993 -13.818 -5.490 1.00 0.00 N ATOM 0 H LYS A 25 1.285 -11.830 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 25 0.388 -14.636 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.156 -13.533 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.863 -15.183 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.293 -15.405 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.902 -13.854 -3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.820 -16.089 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.036 -16.055 -4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.507 -13.633 -3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.355 -14.911 -4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.719 -13.137 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.903 -14.567 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.081 -13.329 -5.385 1.00 0.00 H new ATOM 346 N VAL A 26 0.918 -14.613 1.413 1.00 0.00 N ATOM 347 CA VAL A 26 1.138 -14.575 2.854 1.00 0.00 C ATOM 348 C VAL A 26 2.581 -14.928 3.199 1.00 0.00 C ATOM 349 O VAL A 26 3.186 -15.794 2.568 1.00 0.00 O ATOM 350 CB VAL A 26 0.194 -15.542 3.592 1.00 0.00 C ATOM 351 CG1 VAL A 26 -1.254 -15.263 3.221 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.563 -16.986 3.284 1.00 0.00 C ATOM 0 H VAL A 26 0.307 -15.367 1.099 1.00 0.00 H new ATOM 0 HA VAL A 26 0.928 -13.556 3.179 1.00 0.00 H new ATOM 0 HB VAL A 26 0.306 -15.383 4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.906 -15.956 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.510 -14.240 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.386 -15.392 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.114 -17.656 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.481 -17.162 2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.587 -17.177 3.606 1.00 0.00 H new ATOM 362 N ASN A 27 3.126 -14.252 4.204 1.00 0.00 N ATOM 363 CA ASN A 27 4.499 -14.494 4.633 1.00 0.00 C ATOM 364 C ASN A 27 5.491 -14.019 3.576 1.00 0.00 C ATOM 365 O ASN A 27 6.580 -14.576 3.440 1.00 0.00 O ATOM 366 CB ASN A 27 4.711 -15.983 4.916 1.00 0.00 C ATOM 367 CG ASN A 27 3.581 -16.584 5.729 1.00 0.00 C ATOM 368 OD1 ASN A 27 3.153 -17.711 5.479 1.00 0.00 O ATOM 369 ND2 ASN A 27 3.090 -15.832 6.707 1.00 0.00 N ATOM 0 H ASN A 27 2.638 -13.532 4.737 1.00 0.00 H new ATOM 0 HA ASN A 27 4.673 -13.928 5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.801 -16.520 3.972 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.651 -16.118 5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.327 -16.183 7.286 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.475 -14.903 6.879 1.00 0.00 H new ATOM 376 N GLN A 28 5.106 -12.987 2.833 1.00 0.00 N ATOM 377 CA GLN A 28 5.962 -12.437 1.788 1.00 0.00 C ATOM 378 C GLN A 28 5.790 -10.926 1.682 1.00 0.00 C ATOM 379 O GLN A 28 4.691 -10.390 1.833 1.00 0.00 O ATOM 380 CB GLN A 28 5.647 -13.094 0.443 1.00 0.00 C ATOM 381 CG GLN A 28 6.439 -14.367 0.187 1.00 0.00 C ATOM 382 CD GLN A 28 6.508 -14.725 -1.284 1.00 0.00 C ATOM 383 OE1 GLN A 28 6.770 -13.871 -2.131 1.00 0.00 O ATOM 384 NE2 GLN A 28 6.272 -15.994 -1.596 1.00 0.00 N ATOM 0 H GLN A 28 4.208 -12.515 2.935 1.00 0.00 H new ATOM 0 HA GLN A 28 6.998 -12.648 2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.582 -13.324 0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.851 -12.382 -0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.450 -14.246 0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.983 -15.191 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.059 -16.669 -0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.304 -16.294 -2.570 1.00 0.00 H new ATOM 393 N PRO A 29 6.899 -10.220 1.417 1.00 0.00 N ATOM 394 CA PRO A 29 6.896 -8.760 1.285 1.00 0.00 C ATOM 395 C PRO A 29 6.180 -8.294 0.022 1.00 0.00 C ATOM 396 O PRO A 29 6.558 -8.663 -1.090 1.00 0.00 O ATOM 397 CB PRO A 29 8.384 -8.407 1.217 1.00 0.00 C ATOM 398 CG PRO A 29 9.041 -9.636 0.693 1.00 0.00 C ATOM 399 CD PRO A 29 8.242 -10.793 1.226 1.00 0.00 C ATOM 0 HA PRO A 29 6.366 -8.277 2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.559 -7.554 0.561 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.773 -8.139 2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.051 -9.638 -0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.079 -9.694 1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.227 -11.628 0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.655 -11.170 2.162 1.00 0.00 H new ATOM 407 N ALA A 30 5.143 -7.481 0.200 1.00 0.00 N ATOM 408 CA ALA A 30 4.376 -6.963 -0.925 1.00 0.00 C ATOM 409 C ALA A 30 4.349 -5.438 -0.916 1.00 0.00 C ATOM 410 O ALA A 30 4.051 -4.820 0.106 1.00 0.00 O ATOM 411 CB ALA A 30 2.960 -7.519 -0.899 1.00 0.00 C ATOM 0 H ALA A 30 4.815 -7.167 1.114 1.00 0.00 H new ATOM 0 HA ALA A 30 4.864 -7.285 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.398 -7.124 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.995 -8.607 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.471 -7.226 0.030 1.00 0.00 H new ATOM 417 N SER A 31 4.662 -4.838 -2.059 1.00 0.00 N ATOM 418 CA SER A 31 4.677 -3.385 -2.181 1.00 0.00 C ATOM 419 C SER A 31 3.942 -2.937 -3.441 1.00 0.00 C ATOM 420 O SER A 31 3.625 -3.750 -4.310 1.00 0.00 O ATOM 421 CB SER A 31 6.118 -2.870 -2.207 1.00 0.00 C ATOM 422 OG SER A 31 6.152 -1.454 -2.238 1.00 0.00 O ATOM 0 H SER A 31 4.909 -5.335 -2.915 1.00 0.00 H new ATOM 0 HA SER A 31 4.164 -2.967 -1.315 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.653 -3.231 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.634 -3.269 -3.080 1.00 0.00 H new ATOM 0 HG SER A 31 5.357 -1.098 -1.789 1.00 0.00 H new ATOM 428 N PHE A 32 3.675 -1.639 -3.532 1.00 0.00 N ATOM 429 CA PHE A 32 2.977 -1.081 -4.685 1.00 0.00 C ATOM 430 C PHE A 32 3.440 0.346 -4.963 1.00 0.00 C ATOM 431 O PHE A 32 4.001 1.009 -4.092 1.00 0.00 O ATOM 432 CB PHE A 32 1.465 -1.103 -4.451 1.00 0.00 C ATOM 433 CG PHE A 32 1.052 -0.492 -3.142 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.118 0.879 -2.950 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.600 -1.289 -2.102 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.738 1.444 -1.747 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.219 -0.729 -0.898 1.00 0.00 C ATOM 438 CZ PHE A 32 0.289 0.638 -0.719 1.00 0.00 C ATOM 0 H PHE A 32 3.931 -0.953 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 32 3.212 -1.696 -5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.972 -0.569 -5.264 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.115 -2.134 -4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.471 1.513 -3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.545 -2.359 -2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.792 2.514 -1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.134 -1.361 -0.096 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.007 1.076 0.223 1.00 0.00 H new ATOM 448 N ALA A 33 3.201 0.811 -6.185 1.00 0.00 N ATOM 449 CA ALA A 33 3.591 2.159 -6.579 1.00 0.00 C ATOM 450 C ALA A 33 2.379 3.080 -6.660 1.00 0.00 C ATOM 451 O ALA A 33 1.319 2.685 -7.146 1.00 0.00 O ATOM 452 CB ALA A 33 4.323 2.128 -7.913 1.00 0.00 C ATOM 0 H ALA A 33 2.739 0.274 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 33 4.263 2.553 -5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.608 3.141 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.217 1.511 -7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.669 1.709 -8.678 1.00 0.00 H new ATOM 458 N ILE A 34 2.542 4.308 -6.180 1.00 0.00 N ATOM 459 CA ILE A 34 1.460 5.285 -6.199 1.00 0.00 C ATOM 460 C ILE A 34 1.789 6.451 -7.125 1.00 0.00 C ATOM 461 O ILE A 34 2.699 7.235 -6.853 1.00 0.00 O ATOM 462 CB ILE A 34 1.169 5.830 -4.788 1.00 0.00 C ATOM 463 CG1 ILE A 34 0.844 4.682 -3.831 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.024 6.831 -4.833 1.00 0.00 C ATOM 465 CD1 ILE A 34 0.911 5.075 -2.371 1.00 0.00 C ATOM 0 H ILE A 34 3.413 4.650 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 34 0.574 4.769 -6.570 1.00 0.00 H new ATOM 0 HB ILE A 34 2.059 6.342 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.155 4.307 -4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.539 3.862 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.170 7.207 -3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.292 7.661 -5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.872 6.342 -5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.669 4.212 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.916 5.422 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.196 5.874 -2.176 1.00 0.00 H new ATOM 477 N ARG A 35 1.041 6.561 -8.218 1.00 0.00 N ATOM 478 CA ARG A 35 1.252 7.632 -9.184 1.00 0.00 C ATOM 479 C ARG A 35 0.576 8.920 -8.724 1.00 0.00 C ATOM 480 O ARG A 35 -0.527 8.893 -8.175 1.00 0.00 O ATOM 481 CB ARG A 35 0.715 7.223 -10.557 1.00 0.00 C ATOM 482 CG ARG A 35 0.243 8.396 -11.400 1.00 0.00 C ATOM 483 CD ARG A 35 0.305 8.074 -12.885 1.00 0.00 C ATOM 484 NE ARG A 35 -0.452 9.034 -13.685 1.00 0.00 N ATOM 485 CZ ARG A 35 -0.683 8.887 -14.985 1.00 0.00 C ATOM 486 NH1 ARG A 35 -0.219 7.825 -15.628 1.00 0.00 N ATOM 487 NH2 ARG A 35 -1.380 9.804 -15.644 1.00 0.00 N ATOM 0 H ARG A 35 0.283 5.921 -8.457 1.00 0.00 H new ATOM 0 HA ARG A 35 2.324 7.812 -9.260 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.495 6.688 -11.098 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.113 6.527 -10.421 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.779 8.655 -11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.861 9.269 -11.190 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.345 8.070 -13.212 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.087 7.071 -13.055 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.823 9.862 -13.220 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.317 7.118 -15.125 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.398 7.715 -16.626 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.739 10.623 -15.152 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.557 9.690 -16.642 1.00 0.00 H new ATOM 501 N LEU A 36 1.243 10.046 -8.951 1.00 0.00 N ATOM 502 CA LEU A 36 0.706 11.345 -8.560 1.00 0.00 C ATOM 503 C LEU A 36 0.437 12.214 -9.784 1.00 0.00 C ATOM 504 O LEU A 36 1.359 12.577 -10.514 1.00 0.00 O ATOM 505 CB LEU A 36 1.679 12.058 -7.618 1.00 0.00 C ATOM 506 CG LEU A 36 2.244 11.215 -6.474 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.475 11.881 -5.879 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.186 10.991 -5.404 1.00 0.00 C ATOM 0 H LEU A 36 2.156 10.086 -9.404 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.238 11.179 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.512 12.438 -8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.171 12.922 -7.190 1.00 0.00 H new ATOM 0 HG LEU A 36 2.538 10.245 -6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.864 11.267 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.238 11.989 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.206 12.865 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.606 10.389 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.860 11.953 -5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.333 10.470 -5.839 1.00 0.00 H new ATOM 520 N ASN A 37 -0.831 12.546 -10.001 1.00 0.00 N ATOM 521 CA ASN A 37 -1.221 13.374 -11.136 1.00 0.00 C ATOM 522 C ASN A 37 -1.062 14.856 -10.809 1.00 0.00 C ATOM 523 O ASN A 37 -1.698 15.710 -11.424 1.00 0.00 O ATOM 524 CB ASN A 37 -2.670 13.081 -11.534 1.00 0.00 C ATOM 525 CG ASN A 37 -2.792 11.844 -12.402 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.511 11.882 -13.600 1.00 0.00 O ATOM 527 ND2 ASN A 37 -3.213 10.738 -11.799 1.00 0.00 N ATOM 0 H ASN A 37 -1.606 12.254 -9.406 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.565 13.132 -11.972 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.272 12.951 -10.635 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.077 13.939 -12.069 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.315 9.874 -12.331 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.435 10.753 -10.803 1.00 0.00 H new ATOM 534 N GLY A 38 -0.207 15.153 -9.835 1.00 0.00 N ATOM 535 CA GLY A 38 0.021 16.531 -9.442 1.00 0.00 C ATOM 536 C GLY A 38 -0.446 16.817 -8.029 1.00 0.00 C ATOM 537 O GLY A 38 -0.858 17.934 -7.718 1.00 0.00 O ATOM 0 H GLY A 38 0.332 14.463 -9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.084 16.757 -9.522 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.499 17.193 -10.134 1.00 0.00 H new ATOM 541 N ALA A 39 -0.385 15.804 -7.171 1.00 0.00 N ATOM 542 CA ALA A 39 -0.805 15.952 -5.783 1.00 0.00 C ATOM 543 C ALA A 39 0.397 15.974 -4.845 1.00 0.00 C ATOM 544 O ALA A 39 1.250 15.087 -4.890 1.00 0.00 O ATOM 545 CB ALA A 39 -1.757 14.830 -5.397 1.00 0.00 C ATOM 0 H ALA A 39 -0.049 14.872 -7.413 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.326 16.905 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.062 14.953 -4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.637 14.862 -6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.255 13.870 -5.516 1.00 0.00 H new ATOM 551 N LYS A 40 0.460 16.993 -3.995 1.00 0.00 N ATOM 552 CA LYS A 40 1.557 17.131 -3.045 1.00 0.00 C ATOM 553 C LYS A 40 1.029 17.406 -1.640 1.00 0.00 C ATOM 554 O LYS A 40 0.036 18.111 -1.467 1.00 0.00 O ATOM 555 CB LYS A 40 2.496 18.260 -3.478 1.00 0.00 C ATOM 556 CG LYS A 40 1.947 19.648 -3.199 1.00 0.00 C ATOM 557 CD LYS A 40 2.829 20.729 -3.802 1.00 0.00 C ATOM 558 CE LYS A 40 2.492 20.969 -5.266 1.00 0.00 C ATOM 559 NZ LYS A 40 3.616 21.621 -5.994 1.00 0.00 N ATOM 0 H LYS A 40 -0.237 17.736 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 40 2.111 16.192 -3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.450 18.145 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.696 18.165 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.939 19.730 -3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.869 19.800 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.705 21.656 -3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.876 20.439 -3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.252 20.019 -5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.602 21.595 -5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.347 21.767 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.829 22.539 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.458 21.012 -5.949 1.00 0.00 H new ATOM 573 N GLY A 41 1.702 16.845 -0.640 1.00 0.00 N ATOM 574 CA GLY A 41 1.286 17.043 0.737 1.00 0.00 C ATOM 575 C GLY A 41 1.869 16.004 1.673 1.00 0.00 C ATOM 576 O GLY A 41 3.085 15.821 1.732 1.00 0.00 O ATOM 0 H GLY A 41 2.527 16.257 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.591 18.036 1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.198 17.009 0.793 1.00 0.00 H new ATOM 580 N LYS A 42 0.999 15.320 2.410 1.00 0.00 N ATOM 581 CA LYS A 42 1.433 14.294 3.350 1.00 0.00 C ATOM 582 C LYS A 42 0.781 12.952 3.030 1.00 0.00 C ATOM 583 O LYS A 42 -0.334 12.672 3.473 1.00 0.00 O ATOM 584 CB LYS A 42 1.094 14.709 4.784 1.00 0.00 C ATOM 585 CG LYS A 42 2.147 15.594 5.426 1.00 0.00 C ATOM 586 CD LYS A 42 1.953 15.690 6.930 1.00 0.00 C ATOM 587 CE LYS A 42 1.015 16.829 7.300 1.00 0.00 C ATOM 588 NZ LYS A 42 1.259 17.322 8.684 1.00 0.00 N ATOM 0 H LYS A 42 -0.011 15.458 2.374 1.00 0.00 H new ATOM 0 HA LYS A 42 2.513 14.185 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.139 15.235 4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.965 13.813 5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.139 15.196 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.102 16.591 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.551 14.749 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.918 15.841 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.144 17.650 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.018 16.492 7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.600 18.098 8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.111 16.546 9.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.237 17.667 8.762 1.00 0.00 H new ATOM 602 N ILE A 43 1.482 12.127 2.260 1.00 0.00 N ATOM 603 CA ILE A 43 0.971 10.815 1.884 1.00 0.00 C ATOM 604 C ILE A 43 1.035 9.843 3.058 1.00 0.00 C ATOM 605 O ILE A 43 2.053 9.746 3.742 1.00 0.00 O ATOM 606 CB ILE A 43 1.758 10.223 0.699 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.729 11.184 -0.491 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.186 8.869 0.308 1.00 0.00 C ATOM 609 CD1 ILE A 43 2.736 10.844 -1.567 1.00 0.00 C ATOM 0 H ILE A 43 2.405 12.344 1.884 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.068 10.954 1.587 1.00 0.00 H new ATOM 0 HB ILE A 43 2.795 10.083 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.730 11.181 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.918 12.197 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.752 8.463 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.254 8.187 1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.142 8.985 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.659 11.567 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.741 10.876 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.534 9.844 -1.951 1.00 0.00 H new ATOM 621 N ASP A 44 -0.060 9.125 3.283 1.00 0.00 N ATOM 622 CA ASP A 44 -0.128 8.157 4.372 1.00 0.00 C ATOM 623 C ASP A 44 -0.559 6.788 3.856 1.00 0.00 C ATOM 624 O ASP A 44 -1.527 6.673 3.106 1.00 0.00 O ATOM 625 CB ASP A 44 -1.100 8.639 5.450 1.00 0.00 C ATOM 626 CG ASP A 44 -0.614 9.892 6.151 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.617 10.088 6.231 1.00 0.00 O ATOM 628 OD2 ASP A 44 -1.464 10.678 6.618 1.00 0.00 O ATOM 0 H ASP A 44 -0.912 9.195 2.726 1.00 0.00 H new ATOM 0 HA ASP A 44 0.867 8.064 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.072 8.834 4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.244 7.847 6.186 1.00 0.00 H new ATOM 633 N ALA A 45 0.168 5.752 4.264 1.00 0.00 N ATOM 634 CA ALA A 45 -0.139 4.391 3.843 1.00 0.00 C ATOM 635 C ALA A 45 0.046 3.407 4.993 1.00 0.00 C ATOM 636 O ALA A 45 1.155 3.221 5.493 1.00 0.00 O ATOM 637 CB ALA A 45 0.733 3.994 2.661 1.00 0.00 C ATOM 0 H ALA A 45 0.973 5.830 4.885 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.184 4.359 3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.493 2.975 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.549 4.673 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.783 4.049 2.949 1.00 0.00 H new ATOM 643 N LYS A 46 -1.048 2.778 5.409 1.00 0.00 N ATOM 644 CA LYS A 46 -1.008 1.812 6.501 1.00 0.00 C ATOM 645 C LYS A 46 -1.946 0.641 6.226 1.00 0.00 C ATOM 646 O LYS A 46 -2.935 0.781 5.506 1.00 0.00 O ATOM 647 CB LYS A 46 -1.389 2.486 7.821 1.00 0.00 C ATOM 648 CG LYS A 46 -0.585 3.739 8.118 1.00 0.00 C ATOM 649 CD LYS A 46 -0.863 4.261 9.518 1.00 0.00 C ATOM 650 CE LYS A 46 -2.125 5.110 9.556 1.00 0.00 C ATOM 651 NZ LYS A 46 -2.127 6.048 10.712 1.00 0.00 N ATOM 0 H LYS A 46 -1.974 2.920 5.006 1.00 0.00 H new ATOM 0 HA LYS A 46 0.010 1.429 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.448 2.742 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.252 1.775 8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.478 3.523 8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.827 4.510 7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.967 3.422 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.015 4.853 9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.210 5.676 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.998 4.460 9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.003 6.608 10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.072 5.507 11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.308 6.685 10.644 1.00 0.00 H new ATOM 665 N VAL A 47 -1.630 -0.513 6.804 1.00 0.00 N ATOM 666 CA VAL A 47 -2.447 -1.708 6.623 1.00 0.00 C ATOM 667 C VAL A 47 -3.413 -1.894 7.788 1.00 0.00 C ATOM 668 O VAL A 47 -3.040 -1.732 8.950 1.00 0.00 O ATOM 669 CB VAL A 47 -1.573 -2.969 6.488 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.935 -3.323 7.822 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.397 -4.133 5.957 1.00 0.00 C ATOM 0 H VAL A 47 -0.814 -0.646 7.402 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.015 -1.568 5.703 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.775 -2.762 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.322 -4.216 7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.311 -2.495 8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.715 -3.512 8.560 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.764 -5.016 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.217 -4.342 6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.801 -3.876 4.978 1.00 0.00 H new ATOM 681 N HIS A 48 -4.657 -2.238 7.468 1.00 0.00 N ATOM 682 CA HIS A 48 -5.677 -2.448 8.489 1.00 0.00 C ATOM 683 C HIS A 48 -6.020 -3.929 8.618 1.00 0.00 C ATOM 684 O HIS A 48 -5.808 -4.708 7.688 1.00 0.00 O ATOM 685 CB HIS A 48 -6.937 -1.649 8.152 1.00 0.00 C ATOM 686 CG HIS A 48 -6.782 -0.173 8.355 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.314 0.498 9.436 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.149 0.761 7.608 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.016 1.781 9.344 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.310 1.968 8.244 1.00 0.00 N ATOM 0 H HIS A 48 -4.982 -2.377 6.511 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.279 -2.101 9.442 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.210 -1.838 7.114 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.761 -2.008 8.769 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.853 0.070 10.189 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.617 0.590 6.684 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.301 2.548 10.049 1.00 0.00 H new ATOM 698 N SER A 49 -6.548 -4.311 9.776 1.00 0.00 N ATOM 699 CA SER A 49 -6.915 -5.700 10.028 1.00 0.00 C ATOM 700 C SER A 49 -8.184 -5.782 10.872 1.00 0.00 C ATOM 701 O SER A 49 -8.468 -4.915 11.698 1.00 0.00 O ATOM 702 CB SER A 49 -5.772 -6.431 10.734 1.00 0.00 C ATOM 703 OG SER A 49 -4.636 -6.536 9.893 1.00 0.00 O ATOM 0 H SER A 49 -6.731 -3.678 10.555 1.00 0.00 H new ATOM 0 HA SER A 49 -7.106 -6.180 9.068 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.505 -5.898 11.647 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.102 -7.427 11.031 1.00 0.00 H new ATOM 0 HG SER A 49 -3.919 -7.006 10.368 1.00 0.00 H new ATOM 709 N PRO A 50 -8.967 -6.850 10.658 1.00 0.00 N ATOM 710 CA PRO A 50 -10.218 -7.072 11.389 1.00 0.00 C ATOM 711 C PRO A 50 -9.980 -7.417 12.855 1.00 0.00 C ATOM 712 O PRO A 50 -10.926 -7.627 13.614 1.00 0.00 O ATOM 713 CB PRO A 50 -10.850 -8.258 10.656 1.00 0.00 C ATOM 714 CG PRO A 50 -9.701 -8.979 10.040 1.00 0.00 C ATOM 715 CD PRO A 50 -8.690 -7.923 9.688 1.00 0.00 C ATOM 0 HA PRO A 50 -10.844 -6.180 11.406 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.398 -8.902 11.344 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.559 -7.923 9.899 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.280 -9.707 10.734 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.016 -9.529 9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.670 -8.296 9.781 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.810 -7.578 8.661 1.00 0.00 H new ATOM 723 N SER A 51 -8.711 -7.472 13.247 1.00 0.00 N ATOM 724 CA SER A 51 -8.350 -7.795 14.622 1.00 0.00 C ATOM 725 C SER A 51 -8.068 -6.526 15.421 1.00 0.00 C ATOM 726 O SER A 51 -7.334 -6.551 16.408 1.00 0.00 O ATOM 727 CB SER A 51 -7.124 -8.710 14.648 1.00 0.00 C ATOM 728 OG SER A 51 -7.392 -9.940 13.998 1.00 0.00 O ATOM 0 H SER A 51 -7.916 -7.297 12.632 1.00 0.00 H new ATOM 0 HA SER A 51 -9.192 -8.314 15.081 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.285 -8.213 14.161 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.828 -8.897 15.680 1.00 0.00 H new ATOM 0 HG SER A 51 -6.593 -10.506 14.027 1.00 0.00 H new ATOM 734 N GLY A 52 -8.659 -5.417 14.987 1.00 0.00 N ATOM 735 CA GLY A 52 -8.460 -4.153 15.672 1.00 0.00 C ATOM 736 C GLY A 52 -7.000 -3.750 15.733 1.00 0.00 C ATOM 737 O GLY A 52 -6.578 -3.060 16.660 1.00 0.00 O ATOM 0 H GLY A 52 -9.272 -5.371 14.173 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.028 -3.374 15.163 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.856 -4.226 16.685 1.00 0.00 H new ATOM 741 N ALA A 53 -6.226 -4.184 14.744 1.00 0.00 N ATOM 742 CA ALA A 53 -4.805 -3.864 14.689 1.00 0.00 C ATOM 743 C ALA A 53 -4.480 -3.018 13.462 1.00 0.00 C ATOM 744 O ALA A 53 -5.090 -3.180 12.405 1.00 0.00 O ATOM 745 CB ALA A 53 -3.976 -5.139 14.688 1.00 0.00 C ATOM 0 H ALA A 53 -6.559 -4.758 13.970 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.554 -3.282 15.576 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.917 -4.884 14.647 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.178 -5.705 15.597 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.238 -5.743 13.819 1.00 0.00 H new ATOM 751 N VAL A 54 -3.516 -2.115 13.610 1.00 0.00 N ATOM 752 CA VAL A 54 -3.109 -1.244 12.513 1.00 0.00 C ATOM 753 C VAL A 54 -1.590 -1.151 12.420 1.00 0.00 C ATOM 754 O VAL A 54 -0.937 -0.599 13.304 1.00 0.00 O ATOM 755 CB VAL A 54 -3.690 0.173 12.677 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.205 1.081 11.558 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.210 0.124 12.715 1.00 0.00 C ATOM 0 H VAL A 54 -3.002 -1.967 14.479 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.500 -1.685 11.596 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.339 0.584 13.624 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.626 2.078 11.690 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.117 1.140 11.583 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.524 0.677 10.597 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.604 1.134 12.831 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.584 -0.306 11.786 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.533 -0.491 13.555 1.00 0.00 H new ATOM 767 N GLU A 55 -1.035 -1.695 11.341 1.00 0.00 N ATOM 768 CA GLU A 55 0.408 -1.673 11.132 1.00 0.00 C ATOM 769 C GLU A 55 0.795 -0.600 10.118 1.00 0.00 C ATOM 770 O GLU A 55 0.140 -0.440 9.089 1.00 0.00 O ATOM 771 CB GLU A 55 0.897 -3.042 10.655 1.00 0.00 C ATOM 772 CG GLU A 55 1.267 -3.985 11.787 1.00 0.00 C ATOM 773 CD GLU A 55 1.686 -5.355 11.292 1.00 0.00 C ATOM 774 OE1 GLU A 55 2.833 -5.488 10.815 1.00 0.00 O ATOM 775 OE2 GLU A 55 0.869 -6.295 11.380 1.00 0.00 O ATOM 0 H GLU A 55 -1.562 -2.156 10.599 1.00 0.00 H new ATOM 0 HA GLU A 55 0.884 -1.437 12.084 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.119 -3.505 10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.765 -2.904 10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.080 -3.548 12.367 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.416 -4.091 12.460 1.00 0.00 H new ATOM 782 N GLU A 56 1.863 0.132 10.419 1.00 0.00 N ATOM 783 CA GLU A 56 2.336 1.190 9.534 1.00 0.00 C ATOM 784 C GLU A 56 3.176 0.615 8.398 1.00 0.00 C ATOM 785 O GLU A 56 4.123 -0.137 8.631 1.00 0.00 O ATOM 786 CB GLU A 56 3.157 2.214 10.321 1.00 0.00 C ATOM 787 CG GLU A 56 2.338 3.387 10.834 1.00 0.00 C ATOM 788 CD GLU A 56 3.180 4.623 11.080 1.00 0.00 C ATOM 789 OE1 GLU A 56 4.034 4.588 11.990 1.00 0.00 O ATOM 790 OE2 GLU A 56 2.984 5.627 10.363 1.00 0.00 O ATOM 0 H GLU A 56 2.416 0.012 11.268 1.00 0.00 H new ATOM 0 HA GLU A 56 1.465 1.685 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.630 1.715 11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.958 2.591 9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.556 3.623 10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.841 3.100 11.761 1.00 0.00 H new ATOM 797 N CYS A 57 2.821 0.972 7.168 1.00 0.00 N ATOM 798 CA CYS A 57 3.540 0.491 5.994 1.00 0.00 C ATOM 799 C CYS A 57 4.748 1.373 5.697 1.00 0.00 C ATOM 800 O CYS A 57 4.656 2.600 5.725 1.00 0.00 O ATOM 801 CB CYS A 57 2.610 0.453 4.781 1.00 0.00 C ATOM 802 SG CYS A 57 1.057 -0.427 5.068 1.00 0.00 S ATOM 0 H CYS A 57 2.039 1.593 6.958 1.00 0.00 H new ATOM 0 HA CYS A 57 3.893 -0.519 6.203 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.385 1.475 4.477 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.134 -0.019 3.950 1.00 0.00 H new ATOM 0 HG CYS A 57 0.338 -0.403 3.985 1.00 0.00 H new ATOM 808 N HIS A 58 5.882 0.739 5.415 1.00 0.00 N ATOM 809 CA HIS A 58 7.110 1.467 5.114 1.00 0.00 C ATOM 810 C HIS A 58 6.954 2.291 3.839 1.00 0.00 C ATOM 811 O HIS A 58 6.825 1.742 2.745 1.00 0.00 O ATOM 812 CB HIS A 58 8.281 0.494 4.966 1.00 0.00 C ATOM 813 CG HIS A 58 9.616 1.121 5.225 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.367 1.727 4.240 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.334 1.235 6.367 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.490 2.185 4.765 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.494 1.900 6.055 1.00 0.00 N ATOM 0 H HIS A 58 5.976 -0.276 5.389 1.00 0.00 H new ATOM 0 HA HIS A 58 7.314 2.146 5.942 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.140 -0.339 5.655 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.273 0.079 3.958 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.048 0.871 7.342 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.272 2.704 4.230 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.238 2.136 6.712 1.00 0.00 H new ATOM 825 N VAL A 59 6.967 3.612 3.989 1.00 0.00 N ATOM 826 CA VAL A 59 6.828 4.512 2.851 1.00 0.00 C ATOM 827 C VAL A 59 8.102 5.320 2.630 1.00 0.00 C ATOM 828 O VAL A 59 8.452 6.179 3.439 1.00 0.00 O ATOM 829 CB VAL A 59 5.645 5.480 3.042 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.431 6.315 1.789 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.382 4.712 3.404 1.00 0.00 C ATOM 0 H VAL A 59 7.072 4.082 4.888 1.00 0.00 H new ATOM 0 HA VAL A 59 6.640 3.889 1.976 1.00 0.00 H new ATOM 0 HB VAL A 59 5.880 6.156 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.591 6.993 1.943 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.331 6.893 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.217 5.658 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.556 5.411 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.141 4.011 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.543 4.163 4.332 1.00 0.00 H new ATOM 841 N SER A 60 8.791 5.039 1.529 1.00 0.00 N ATOM 842 CA SER A 60 10.029 5.738 1.203 1.00 0.00 C ATOM 843 C SER A 60 9.862 6.578 -0.060 1.00 0.00 C ATOM 844 O SER A 60 9.702 6.043 -1.157 1.00 0.00 O ATOM 845 CB SER A 60 11.170 4.737 1.015 1.00 0.00 C ATOM 846 OG SER A 60 11.582 4.195 2.258 1.00 0.00 O ATOM 0 H SER A 60 8.513 4.333 0.848 1.00 0.00 H new ATOM 0 HA SER A 60 10.271 6.403 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.848 3.933 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.014 5.229 0.531 1.00 0.00 H new ATOM 0 HG SER A 60 12.311 3.557 2.111 1.00 0.00 H new ATOM 852 N GLU A 61 9.899 7.896 0.105 1.00 0.00 N ATOM 853 CA GLU A 61 9.751 8.811 -1.021 1.00 0.00 C ATOM 854 C GLU A 61 10.981 8.767 -1.923 1.00 0.00 C ATOM 855 O GLU A 61 11.992 9.412 -1.645 1.00 0.00 O ATOM 856 CB GLU A 61 9.523 10.239 -0.521 1.00 0.00 C ATOM 857 CG GLU A 61 9.637 11.291 -1.610 1.00 0.00 C ATOM 858 CD GLU A 61 9.861 12.684 -1.055 1.00 0.00 C ATOM 859 OE1 GLU A 61 10.764 12.848 -0.208 1.00 0.00 O ATOM 860 OE2 GLU A 61 9.132 13.611 -1.467 1.00 0.00 O ATOM 0 H GLU A 61 10.030 8.354 1.007 1.00 0.00 H new ATOM 0 HA GLU A 61 8.884 8.494 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.533 10.303 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.247 10.460 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.461 11.032 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.728 11.286 -2.212 1.00 0.00 H new ATOM 867 N LEU A 62 10.887 8.001 -3.004 1.00 0.00 N ATOM 868 CA LEU A 62 11.991 7.871 -3.948 1.00 0.00 C ATOM 869 C LEU A 62 11.966 9.000 -4.975 1.00 0.00 C ATOM 870 O LEU A 62 13.013 9.488 -5.400 1.00 0.00 O ATOM 871 CB LEU A 62 11.925 6.518 -4.659 1.00 0.00 C ATOM 872 CG LEU A 62 11.381 5.352 -3.833 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.115 4.147 -4.721 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.351 4.991 -2.717 1.00 0.00 C ATOM 0 H LEU A 62 10.057 7.460 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 62 12.924 7.935 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.305 6.627 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.928 6.260 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 62 10.438 5.660 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.728 3.327 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.383 4.412 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.043 3.837 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.948 4.159 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.310 4.703 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.491 5.852 -2.064 1.00 0.00 H new ATOM 886 N GLU A 63 10.764 9.410 -5.366 1.00 0.00 N ATOM 887 CA GLU A 63 10.603 10.482 -6.341 1.00 0.00 C ATOM 888 C GLU A 63 9.435 11.389 -5.965 1.00 0.00 C ATOM 889 O GLU A 63 8.475 10.971 -5.318 1.00 0.00 O ATOM 890 CB GLU A 63 10.382 9.901 -7.739 1.00 0.00 C ATOM 891 CG GLU A 63 11.154 8.617 -7.994 1.00 0.00 C ATOM 892 CD GLU A 63 12.643 8.854 -8.154 1.00 0.00 C ATOM 893 OE1 GLU A 63 13.021 9.785 -8.896 1.00 0.00 O ATOM 894 OE2 GLU A 63 13.432 8.108 -7.536 1.00 0.00 O ATOM 0 H GLU A 63 9.888 9.016 -5.023 1.00 0.00 H new ATOM 0 HA GLU A 63 11.516 11.077 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.318 9.709 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.673 10.644 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.987 7.926 -7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.767 8.137 -8.893 1.00 0.00 H new ATOM 901 N PRO A 64 9.519 12.662 -6.379 1.00 0.00 N ATOM 902 CA PRO A 64 8.478 13.656 -6.098 1.00 0.00 C ATOM 903 C PRO A 64 7.193 13.385 -6.872 1.00 0.00 C ATOM 904 O PRO A 64 6.161 14.007 -6.619 1.00 0.00 O ATOM 905 CB PRO A 64 9.111 14.972 -6.556 1.00 0.00 C ATOM 906 CG PRO A 64 10.112 14.573 -7.584 1.00 0.00 C ATOM 907 CD PRO A 64 10.634 13.230 -7.155 1.00 0.00 C ATOM 0 HA PRO A 64 8.183 13.651 -5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.363 15.647 -6.972 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.584 15.494 -5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.655 14.517 -8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.919 15.303 -7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.887 12.605 -8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.537 13.324 -6.551 1.00 0.00 H new ATOM 915 N ASP A 65 7.262 12.453 -7.817 1.00 0.00 N ATOM 916 CA ASP A 65 6.103 12.099 -8.628 1.00 0.00 C ATOM 917 C ASP A 65 5.785 10.612 -8.500 1.00 0.00 C ATOM 918 O ASP A 65 4.896 10.096 -9.178 1.00 0.00 O ATOM 919 CB ASP A 65 6.351 12.456 -10.094 1.00 0.00 C ATOM 920 CG ASP A 65 7.681 11.932 -10.600 1.00 0.00 C ATOM 921 OD1 ASP A 65 8.027 10.778 -10.272 1.00 0.00 O ATOM 922 OD2 ASP A 65 8.376 12.676 -11.324 1.00 0.00 O ATOM 0 H ASP A 65 8.108 11.929 -8.040 1.00 0.00 H new ATOM 0 HA ASP A 65 5.248 12.668 -8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.546 12.048 -10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.322 13.539 -10.211 1.00 0.00 H new ATOM 927 N LYS A 66 6.517 9.928 -7.627 1.00 0.00 N ATOM 928 CA LYS A 66 6.314 8.501 -7.410 1.00 0.00 C ATOM 929 C LYS A 66 6.649 8.117 -5.972 1.00 0.00 C ATOM 930 O LYS A 66 7.530 8.711 -5.350 1.00 0.00 O ATOM 931 CB LYS A 66 7.174 7.689 -8.380 1.00 0.00 C ATOM 932 CG LYS A 66 6.605 6.316 -8.695 1.00 0.00 C ATOM 933 CD LYS A 66 7.448 5.585 -9.726 1.00 0.00 C ATOM 934 CE LYS A 66 7.003 4.140 -9.888 1.00 0.00 C ATOM 935 NZ LYS A 66 7.584 3.514 -11.108 1.00 0.00 N ATOM 0 H LYS A 66 7.257 10.340 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 66 5.263 8.277 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.286 8.248 -9.309 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.172 7.571 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.553 5.724 -7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.585 6.420 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.377 6.098 -10.685 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.496 5.613 -9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.301 3.568 -9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.915 4.099 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.257 2.530 -11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.280 4.045 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.622 3.530 -11.046 1.00 0.00 H new ATOM 949 N TYR A 67 5.944 7.119 -5.451 1.00 0.00 N ATOM 950 CA TYR A 67 6.167 6.656 -4.087 1.00 0.00 C ATOM 951 C TYR A 67 6.059 5.137 -4.002 1.00 0.00 C ATOM 952 O TYR A 67 5.507 4.492 -4.893 1.00 0.00 O ATOM 953 CB TYR A 67 5.159 7.304 -3.135 1.00 0.00 C ATOM 954 CG TYR A 67 5.481 8.743 -2.800 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.349 9.745 -3.754 1.00 0.00 C ATOM 956 CD2 TYR A 67 5.919 9.100 -1.531 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.642 11.061 -3.453 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.214 10.414 -1.221 1.00 0.00 C ATOM 959 CZ TYR A 67 6.074 11.390 -2.185 1.00 0.00 C ATOM 960 OH TYR A 67 6.368 12.699 -1.880 1.00 0.00 O ATOM 0 H TYR A 67 5.213 6.615 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 67 7.175 6.947 -3.792 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.167 7.257 -3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.119 6.725 -2.212 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.012 9.490 -4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.031 8.338 -0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.533 11.828 -4.206 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.552 10.675 -0.229 1.00 0.00 H new ATOM 0 HH TYR A 67 7.339 12.809 -1.813 1.00 0.00 H new ATOM 970 N ALA A 68 6.590 4.571 -2.923 1.00 0.00 N ATOM 971 CA ALA A 68 6.551 3.129 -2.719 1.00 0.00 C ATOM 972 C ALA A 68 6.107 2.786 -1.301 1.00 0.00 C ATOM 973 O ALA A 68 6.468 3.472 -0.344 1.00 0.00 O ATOM 974 CB ALA A 68 7.914 2.518 -3.010 1.00 0.00 C ATOM 0 H ALA A 68 7.052 5.090 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 68 5.821 2.709 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.870 1.440 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.192 2.724 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.657 2.952 -2.341 1.00 0.00 H new ATOM 980 N VAL A 69 5.322 1.721 -1.173 1.00 0.00 N ATOM 981 CA VAL A 69 4.829 1.288 0.129 1.00 0.00 C ATOM 982 C VAL A 69 5.050 -0.207 0.330 1.00 0.00 C ATOM 983 O VAL A 69 4.400 -1.033 -0.312 1.00 0.00 O ATOM 984 CB VAL A 69 3.330 1.601 0.295 1.00 0.00 C ATOM 985 CG1 VAL A 69 2.860 1.238 1.695 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.057 3.067 -0.005 1.00 0.00 C ATOM 0 H VAL A 69 5.014 1.143 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 69 5.393 1.841 0.881 1.00 0.00 H new ATOM 0 HB VAL A 69 2.769 0.997 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.799 1.466 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.020 0.174 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.424 1.813 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.993 3.271 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.628 3.691 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.354 3.290 -1.030 1.00 0.00 H new ATOM 996 N ARG A 70 5.970 -0.549 1.226 1.00 0.00 N ATOM 997 CA ARG A 70 6.277 -1.945 1.512 1.00 0.00 C ATOM 998 C ARG A 70 5.584 -2.404 2.792 1.00 0.00 C ATOM 999 O ARG A 70 5.632 -1.721 3.815 1.00 0.00 O ATOM 1000 CB ARG A 70 7.789 -2.142 1.639 1.00 0.00 C ATOM 1001 CG ARG A 70 8.247 -3.557 1.330 1.00 0.00 C ATOM 1002 CD ARG A 70 9.495 -3.923 2.118 1.00 0.00 C ATOM 1003 NE ARG A 70 10.709 -3.406 1.493 1.00 0.00 N ATOM 1004 CZ ARG A 70 11.283 -3.961 0.431 1.00 0.00 C ATOM 1005 NH1 ARG A 70 10.755 -5.045 -0.121 1.00 0.00 N ATOM 1006 NH2 ARG A 70 12.387 -3.431 -0.081 1.00 0.00 N ATOM 0 H ARG A 70 6.516 0.122 1.767 1.00 0.00 H new ATOM 0 HA ARG A 70 5.907 -2.549 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.295 -1.450 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.097 -1.883 2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.447 -4.259 1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.449 -3.651 0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.413 -3.529 3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.565 -5.007 2.203 1.00 0.00 H new ATOM 0 HE ARG A 70 11.140 -2.573 1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.906 -5.454 0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.197 -5.469 -0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.795 -2.597 0.341 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.827 -3.858 -0.896 1.00 0.00 H new ATOM 1020 N PHE A 71 4.940 -3.564 2.727 1.00 0.00 N ATOM 1021 CA PHE A 71 4.236 -4.113 3.880 1.00 0.00 C ATOM 1022 C PHE A 71 4.030 -5.618 3.726 1.00 0.00 C ATOM 1023 O PHE A 71 4.035 -6.144 2.613 1.00 0.00 O ATOM 1024 CB PHE A 71 2.884 -3.418 4.057 1.00 0.00 C ATOM 1025 CG PHE A 71 1.810 -3.956 3.155 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.753 -3.579 1.823 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.858 -4.839 3.639 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.767 -4.073 0.990 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.130 -5.336 2.810 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.177 -4.951 1.485 1.00 0.00 C ATOM 0 H PHE A 71 4.891 -4.142 1.888 1.00 0.00 H new ATOM 0 HA PHE A 71 4.847 -3.936 4.765 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.563 -3.524 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.005 -2.351 3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.488 -2.891 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.888 -5.142 4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.735 -3.773 -0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.865 -6.025 3.199 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.951 -5.336 0.837 1.00 0.00 H new ATOM 1040 N ILE A 72 3.852 -6.302 4.850 1.00 0.00 N ATOM 1041 CA ILE A 72 3.645 -7.745 4.841 1.00 0.00 C ATOM 1042 C ILE A 72 2.166 -8.089 4.984 1.00 0.00 C ATOM 1043 O ILE A 72 1.604 -8.079 6.080 1.00 0.00 O ATOM 1044 CB ILE A 72 4.432 -8.434 5.971 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.930 -8.164 5.816 1.00 0.00 C ATOM 1046 CG2 ILE A 72 4.155 -9.930 5.974 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.740 -8.533 7.039 1.00 0.00 C ATOM 0 H ILE A 72 3.847 -5.881 5.779 1.00 0.00 H new ATOM 0 HA ILE A 72 4.010 -8.110 3.881 1.00 0.00 H new ATOM 0 HB ILE A 72 4.104 -8.022 6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.305 -8.724 4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.080 -7.107 5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.719 -10.403 6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.090 -10.102 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.458 -10.358 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.792 -8.315 6.858 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.392 -7.954 7.894 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.621 -9.596 7.247 1.00 0.00 H new ATOM 1059 N PRO A 73 1.519 -8.403 3.852 1.00 0.00 N ATOM 1060 CA PRO A 73 0.097 -8.759 3.825 1.00 0.00 C ATOM 1061 C PRO A 73 -0.174 -10.113 4.471 1.00 0.00 C ATOM 1062 O PRO A 73 -0.266 -11.132 3.786 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.229 -8.805 2.330 1.00 0.00 C ATOM 1064 CG PRO A 73 1.073 -9.099 1.668 1.00 0.00 C ATOM 1065 CD PRO A 73 2.126 -8.436 2.511 1.00 0.00 C ATOM 0 HA PRO A 73 -0.511 -8.050 4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.968 -9.575 2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.643 -7.857 1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.244 -10.174 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.089 -8.712 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 73 3.059 -9.000 2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.358 -7.434 2.150 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.301 -10.118 5.795 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.562 -11.348 6.533 1.00 0.00 C ATOM 1075 C HIS A 74 -1.827 -11.217 7.376 1.00 0.00 C ATOM 1076 O HIS A 74 -1.825 -10.558 8.416 1.00 0.00 O ATOM 1077 CB HIS A 74 0.628 -11.693 7.429 1.00 0.00 C ATOM 1078 CG HIS A 74 1.306 -10.492 8.012 1.00 0.00 C ATOM 1079 ND1 HIS A 74 2.658 -10.448 8.282 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.812 -9.286 8.377 1.00 0.00 C ATOM 1081 CE1 HIS A 74 2.965 -9.268 8.789 1.00 0.00 C ATOM 1082 NE2 HIS A 74 1.863 -8.543 8.856 1.00 0.00 N ATOM 0 H HIS A 74 -0.227 -9.284 6.378 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.708 -12.152 5.811 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.287 -12.337 8.240 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.354 -12.265 6.851 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.217 -8.967 8.305 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.950 -8.950 9.097 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.802 -7.587 9.206 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.905 -11.847 6.920 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.176 -11.799 7.632 1.00 0.00 C ATOM 1092 C GLU A 75 -4.920 -13.126 7.510 1.00 0.00 C ATOM 1093 O GLU A 75 -4.636 -13.928 6.622 1.00 0.00 O ATOM 1094 CB GLU A 75 -5.046 -10.662 7.092 1.00 0.00 C ATOM 1095 CG GLU A 75 -5.969 -10.053 8.134 1.00 0.00 C ATOM 1096 CD GLU A 75 -7.088 -9.236 7.517 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -6.852 -8.053 7.195 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -8.200 -9.781 7.356 1.00 0.00 O ATOM 0 H GLU A 75 -2.923 -12.396 6.061 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.965 -11.617 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.400 -9.881 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.646 -11.037 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.398 -10.849 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.387 -9.419 8.803 1.00 0.00 H new ATOM 1105 N ASN A 76 -5.873 -13.348 8.408 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.657 -14.578 8.402 1.00 0.00 C ATOM 1107 C ASN A 76 -7.801 -14.489 7.396 1.00 0.00 C ATOM 1108 O ASN A 76 -8.694 -15.334 7.380 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.213 -14.860 9.799 1.00 0.00 C ATOM 1110 CG ASN A 76 -7.476 -13.589 10.584 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -6.820 -13.322 11.592 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.439 -12.799 10.125 1.00 0.00 N ATOM 0 H ASN A 76 -6.122 -12.693 9.149 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.000 -15.396 8.108 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.139 -15.428 9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.508 -15.484 10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.661 -11.930 10.611 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.957 -13.060 9.286 1.00 0.00 H new ATOM 1119 N GLY A 77 -7.764 -13.458 6.557 1.00 0.00 N ATOM 1120 CA GLY A 77 -8.802 -13.278 5.558 1.00 0.00 C ATOM 1121 C GLY A 77 -8.487 -12.154 4.591 1.00 0.00 C ATOM 1122 O GLY A 77 -7.392 -12.094 4.032 1.00 0.00 O ATOM 0 H GLY A 77 -7.035 -12.745 6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.931 -14.206 5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.749 -13.070 6.056 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.450 -11.260 4.392 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.271 -10.132 3.485 1.00 0.00 C ATOM 1128 C VAL A 78 -8.639 -8.945 4.202 1.00 0.00 C ATOM 1129 O VAL A 78 -8.995 -8.631 5.339 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.611 -9.690 2.866 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.401 -8.518 1.920 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.275 -10.855 2.148 1.00 0.00 C ATOM 0 H VAL A 78 -10.362 -11.295 4.847 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.606 -10.469 2.690 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.273 -9.363 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.358 -8.220 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.972 -7.680 2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.722 -8.813 1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.220 -10.525 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.620 -11.214 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.461 -11.661 2.858 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.699 -8.287 3.531 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.017 -7.132 4.105 1.00 0.00 C ATOM 1144 C HIS A 79 -7.653 -5.832 3.624 1.00 0.00 C ATOM 1145 O HIS A 79 -8.354 -5.807 2.612 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.533 -7.154 3.736 1.00 0.00 C ATOM 1147 CG HIS A 79 -4.884 -8.488 3.944 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.665 -8.642 4.569 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.293 -9.734 3.607 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.351 -9.925 4.606 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.322 -10.609 4.029 1.00 0.00 N ATOM 0 H HIS A 79 -7.392 -8.533 2.590 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.115 -7.185 5.189 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.423 -6.864 2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.008 -6.407 4.331 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.095 -7.884 4.944 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.212 -9.992 3.101 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.453 -10.343 5.035 1.00 0.00 H new ATOM 1159 N THR A 80 -7.405 -4.751 4.357 1.00 0.00 N ATOM 1160 CA THR A 80 -7.955 -3.447 4.007 1.00 0.00 C ATOM 1161 C THR A 80 -6.868 -2.378 3.993 1.00 0.00 C ATOM 1162 O THR A 80 -6.294 -2.049 5.031 1.00 0.00 O ATOM 1163 CB THR A 80 -9.063 -3.023 4.989 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.021 -4.078 5.131 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.760 -1.760 4.506 1.00 0.00 C ATOM 0 H THR A 80 -6.827 -4.753 5.197 1.00 0.00 H new ATOM 0 HA THR A 80 -8.381 -3.541 3.008 1.00 0.00 H new ATOM 0 HB THR A 80 -8.603 -2.818 5.955 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.721 -3.802 5.758 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.538 -1.480 5.216 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.034 -0.951 4.426 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.208 -1.943 3.529 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.591 -1.838 2.811 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.575 -0.805 2.663 1.00 0.00 C ATOM 1175 C ILE A 81 -6.140 0.573 2.991 1.00 0.00 C ATOM 1176 O ILE A 81 -7.261 0.904 2.604 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.997 -0.783 1.235 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.364 -2.135 0.897 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.976 0.336 1.093 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -3.993 -2.281 -0.562 1.00 0.00 C ATOM 0 H ILE A 81 -7.057 -2.099 1.942 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.777 -1.045 3.366 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.810 -0.597 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.470 -2.271 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.059 -2.930 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.577 0.338 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.455 1.294 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.163 0.179 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.550 -3.263 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.887 -2.177 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.274 -1.508 -0.834 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.355 1.373 3.704 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.776 2.718 4.083 1.00 0.00 C ATOM 1194 C ASP A 82 -4.877 3.769 3.440 1.00 0.00 C ATOM 1195 O ASP A 82 -3.764 4.018 3.904 1.00 0.00 O ATOM 1196 CB ASP A 82 -5.755 2.872 5.604 1.00 0.00 C ATOM 1197 CG ASP A 82 -5.699 4.324 6.038 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -6.775 4.940 6.185 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -4.580 4.844 6.228 1.00 0.00 O ATOM 0 H ASP A 82 -4.424 1.114 4.031 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.794 2.869 3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.644 2.404 6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.893 2.341 6.008 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.367 4.384 2.367 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.608 5.409 1.660 1.00 0.00 C ATOM 1206 C VAL A 83 -5.267 6.776 1.802 1.00 0.00 C ATOM 1207 O VAL A 83 -6.298 7.048 1.187 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.469 5.071 0.164 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.731 6.182 -0.567 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.758 3.738 -0.017 1.00 0.00 C ATOM 0 H VAL A 83 -6.286 4.190 1.969 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.617 5.438 2.112 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.467 4.986 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.642 5.926 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.285 7.115 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.736 6.302 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.668 3.515 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.764 3.792 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.331 2.950 0.472 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.665 7.635 2.618 1.00 0.00 N ATOM 1221 CA LYS A 84 -5.191 8.976 2.841 1.00 0.00 C ATOM 1222 C LYS A 84 -4.210 10.034 2.346 1.00 0.00 C ATOM 1223 O LYS A 84 -2.996 9.880 2.477 1.00 0.00 O ATOM 1224 CB LYS A 84 -5.481 9.192 4.328 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.857 8.710 4.754 1.00 0.00 C ATOM 1226 CD LYS A 84 -7.392 9.516 5.927 1.00 0.00 C ATOM 1227 CE LYS A 84 -6.938 8.933 7.256 1.00 0.00 C ATOM 1228 NZ LYS A 84 -5.613 9.472 7.674 1.00 0.00 N ATOM 0 H LYS A 84 -3.812 7.426 3.136 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.119 9.073 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.725 8.673 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.390 10.254 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.547 8.787 3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.806 7.656 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.052 10.548 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.481 9.536 5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.680 9.156 8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.880 7.848 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.989 8.686 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.186 9.995 6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.738 10.112 8.484 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.744 11.110 1.777 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.916 12.194 1.263 1.00 0.00 C ATOM 1244 C PHE A 85 -4.336 13.532 1.864 1.00 0.00 C ATOM 1245 O PHE A 85 -5.347 14.112 1.470 1.00 0.00 O ATOM 1246 CB PHE A 85 -4.010 12.257 -0.263 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.955 13.119 -0.894 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -1.721 12.589 -1.236 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -3.196 14.460 -1.146 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -0.748 13.381 -1.816 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -2.227 15.257 -1.726 1.00 0.00 C ATOM 1252 CZ PHE A 85 -1.002 14.716 -2.063 1.00 0.00 C ATOM 0 H PHE A 85 -5.747 11.254 1.660 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.883 11.995 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.931 11.247 -0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.993 12.636 -0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.517 11.545 -1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.153 14.888 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.210 12.956 -2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.428 16.301 -1.915 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.244 15.336 -2.519 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.551 14.015 2.822 1.00 0.00 N ATOM 1263 CA ASN A 86 -3.842 15.284 3.480 1.00 0.00 C ATOM 1264 C ASN A 86 -5.178 15.224 4.213 1.00 0.00 C ATOM 1265 O ASN A 86 -5.977 16.157 4.147 1.00 0.00 O ATOM 1266 CB ASN A 86 -3.859 16.421 2.457 1.00 0.00 C ATOM 1267 CG ASN A 86 -2.491 17.045 2.261 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -1.523 16.664 2.920 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -2.404 18.009 1.352 1.00 0.00 N ATOM 0 H ASN A 86 -2.710 13.548 3.160 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.056 15.474 4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.222 16.041 1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.562 17.188 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.509 18.466 1.177 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.232 18.293 0.829 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.414 14.118 4.912 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.655 13.956 5.648 1.00 0.00 C ATOM 1278 C GLY A 87 -7.846 13.738 4.736 1.00 0.00 C ATOM 1279 O GLY A 87 -8.882 14.384 4.891 1.00 0.00 O ATOM 0 H GLY A 87 -4.768 13.331 4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.562 13.109 6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.828 14.840 6.261 1.00 0.00 H new ATOM 1283 N SER A 88 -7.698 12.826 3.780 1.00 0.00 N ATOM 1284 CA SER A 88 -8.768 12.529 2.835 1.00 0.00 C ATOM 1285 C SER A 88 -8.515 11.201 2.128 1.00 0.00 C ATOM 1286 O SER A 88 -7.511 11.035 1.434 1.00 0.00 O ATOM 1287 CB SER A 88 -8.895 13.652 1.805 1.00 0.00 C ATOM 1288 OG SER A 88 -9.971 13.410 0.916 1.00 0.00 O ATOM 0 H SER A 88 -6.848 12.280 3.640 1.00 0.00 H new ATOM 0 HA SER A 88 -9.701 12.452 3.394 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.048 14.603 2.316 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.966 13.739 1.241 1.00 0.00 H new ATOM 0 HG SER A 88 -10.032 14.143 0.269 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.433 10.256 2.309 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.310 8.942 1.688 1.00 0.00 C ATOM 1296 C HIS A 89 -9.411 9.047 0.169 1.00 0.00 C ATOM 1297 O HIS A 89 -10.489 9.278 -0.377 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.393 8.001 2.219 1.00 0.00 C ATOM 1299 CG HIS A 89 -10.138 7.522 3.615 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.897 6.200 3.924 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -10.086 8.197 4.787 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.709 6.082 5.227 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.819 7.280 5.773 1.00 0.00 N ATOM 0 H HIS A 89 -10.269 10.376 2.880 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.330 8.537 1.942 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.355 8.514 2.189 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.471 7.139 1.556 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.868 5.433 3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -10.228 9.259 4.921 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.501 5.163 5.755 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.279 8.877 -0.507 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.240 8.952 -1.962 1.00 0.00 C ATOM 1313 C VAL A 90 -9.429 8.227 -2.583 1.00 0.00 C ATOM 1314 O VAL A 90 -10.076 7.405 -1.934 1.00 0.00 O ATOM 1315 CB VAL A 90 -6.937 8.350 -2.520 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.730 9.129 -2.019 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.826 6.880 -2.144 1.00 0.00 C ATOM 0 H VAL A 90 -7.377 8.686 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.286 10.009 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.960 8.423 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.819 8.688 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.807 10.167 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.699 9.091 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.899 6.470 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.825 6.781 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.674 6.334 -2.557 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.711 8.537 -3.844 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.822 7.913 -4.554 1.00 0.00 C ATOM 1329 C VAL A 91 -10.666 6.397 -4.596 1.00 0.00 C ATOM 1330 O VAL A 91 -9.634 5.881 -5.023 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.937 8.447 -5.994 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -9.561 8.576 -6.628 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -11.834 7.542 -6.827 1.00 0.00 C ATOM 0 H VAL A 91 -9.186 9.216 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.730 8.166 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.389 9.438 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.663 8.955 -7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.954 9.267 -6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.078 7.599 -6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.904 7.934 -7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.412 6.537 -6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.828 7.506 -6.382 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.698 5.689 -4.150 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.656 4.238 -4.146 1.00 0.00 C ATOM 1345 C GLY A 92 -11.024 3.680 -2.886 1.00 0.00 C ATOM 1346 O GLY A 92 -10.522 2.556 -2.881 1.00 0.00 O ATOM 0 H GLY A 92 -12.563 6.094 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.669 3.848 -4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.096 3.891 -5.014 1.00 0.00 H new ATOM 1350 N SER A 93 -11.046 4.468 -1.816 1.00 0.00 N ATOM 1351 CA SER A 93 -10.465 4.049 -0.546 1.00 0.00 C ATOM 1352 C SER A 93 -11.535 3.958 0.538 1.00 0.00 C ATOM 1353 O SER A 93 -12.500 4.723 0.559 1.00 0.00 O ATOM 1354 CB SER A 93 -9.368 5.025 -0.115 1.00 0.00 C ATOM 1355 OG SER A 93 -9.026 4.839 1.247 1.00 0.00 O ATOM 0 H SER A 93 -11.460 5.400 -1.803 1.00 0.00 H new ATOM 0 HA SER A 93 -10.028 3.060 -0.684 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.485 4.882 -0.738 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.706 6.049 -0.272 1.00 0.00 H new ATOM 0 HG SER A 93 -8.322 5.473 1.497 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.362 3.000 1.460 1.00 0.00 N ATOM 1362 CA PRO A 94 -10.218 2.084 1.445 1.00 0.00 C ATOM 1363 C PRO A 94 -10.284 1.093 0.288 1.00 0.00 C ATOM 1364 O PRO A 94 -11.262 1.061 -0.460 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.334 1.350 2.784 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.780 1.424 3.133 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.270 2.738 2.589 1.00 0.00 C ATOM 0 HA PRO A 94 -9.274 2.613 1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -10.000 0.316 2.699 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.718 1.822 3.549 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.330 0.591 2.696 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.924 1.370 4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.308 2.676 2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.218 3.528 3.338 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.238 0.286 0.145 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.177 -0.705 -0.922 1.00 0.00 C ATOM 1377 C PHE A 95 -9.264 -2.120 -0.356 1.00 0.00 C ATOM 1378 O PHE A 95 -8.697 -2.416 0.696 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.885 -0.543 -1.725 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.867 0.683 -2.592 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -7.431 1.898 -2.089 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -8.288 0.620 -3.911 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -7.413 3.028 -2.885 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -8.272 1.747 -4.712 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.836 2.952 -4.198 1.00 0.00 C ATOM 0 H PHE A 95 -8.421 0.299 0.755 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.029 -0.544 -1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.041 -0.503 -1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.744 -1.423 -2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.101 1.963 -1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.632 -0.319 -4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.069 3.969 -2.481 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.600 1.685 -5.739 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.826 3.834 -4.821 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.978 -2.990 -1.062 1.00 0.00 N ATOM 1396 CA LYS A 96 -10.140 -4.374 -0.633 1.00 0.00 C ATOM 1397 C LYS A 96 -9.214 -5.299 -1.416 1.00 0.00 C ATOM 1398 O LYS A 96 -9.088 -5.180 -2.635 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.593 -4.818 -0.813 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.565 -4.112 0.117 1.00 0.00 C ATOM 1401 CD LYS A 96 -12.639 -4.797 1.471 1.00 0.00 C ATOM 1402 CE LYS A 96 -13.679 -5.908 1.478 1.00 0.00 C ATOM 1403 NZ LYS A 96 -13.731 -6.610 2.790 1.00 0.00 N ATOM 0 H LYS A 96 -10.454 -2.761 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.876 -4.434 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.894 -4.637 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.659 -5.893 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.255 -3.075 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.556 -4.093 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.663 -5.210 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.884 -4.063 2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.659 -5.489 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.449 -6.626 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.451 -7.359 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.803 -7.031 2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.976 -5.930 3.538 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.568 -6.220 -0.709 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.656 -7.167 -1.338 1.00 0.00 C ATOM 1419 C VAL A 97 -7.792 -8.555 -0.722 1.00 0.00 C ATOM 1420 O VAL A 97 -7.931 -8.695 0.493 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.192 -6.704 -1.213 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -5.997 -5.360 -1.899 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.780 -6.630 0.249 1.00 0.00 C ATOM 0 H VAL A 97 -8.660 -6.330 0.301 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.927 -7.213 -2.393 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.554 -7.435 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.957 -5.049 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.250 -5.451 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.644 -4.617 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.743 -6.301 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.421 -5.921 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.880 -7.615 0.705 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.752 -9.579 -1.569 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.872 -10.956 -1.108 1.00 0.00 C ATOM 1435 C ARG A 98 -6.521 -11.665 -1.153 1.00 0.00 C ATOM 1436 O ARG A 98 -5.994 -11.950 -2.229 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.887 -11.716 -1.963 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.485 -12.928 -1.267 1.00 0.00 C ATOM 1439 CD ARG A 98 -10.180 -13.852 -2.255 1.00 0.00 C ATOM 1440 NE ARG A 98 -9.232 -14.513 -3.147 1.00 0.00 N ATOM 1441 CZ ARG A 98 -9.570 -15.481 -3.992 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -10.827 -15.898 -4.059 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -8.650 -16.034 -4.772 1.00 0.00 N ATOM 0 H ARG A 98 -7.637 -9.480 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.219 -10.937 -0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.691 -11.037 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.403 -12.039 -2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.699 -13.475 -0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.198 -12.600 -0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.749 -14.605 -1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.895 -13.279 -2.846 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.257 -14.215 -3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.537 -15.475 -3.461 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.084 -16.641 -4.709 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.682 -15.716 -4.723 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.911 -16.777 -5.420 1.00 0.00 H new ATOM 1457 N VAL A 99 -5.966 -11.946 0.021 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.677 -12.621 0.116 1.00 0.00 C ATOM 1459 C VAL A 99 -4.788 -14.079 -0.315 1.00 0.00 C ATOM 1460 O VAL A 99 -5.607 -14.832 0.210 1.00 0.00 O ATOM 1461 CB VAL A 99 -4.117 -12.561 1.549 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.868 -13.524 2.457 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.626 -12.867 1.551 1.00 0.00 C ATOM 0 H VAL A 99 -6.389 -11.717 0.920 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.995 -12.098 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.259 -11.551 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.458 -13.468 3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.924 -13.255 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.760 -14.540 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.246 -12.820 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.459 -13.866 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.103 -12.135 0.936 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.956 -14.472 -1.275 1.00 0.00 N ATOM 1474 CA GLY A 100 -3.976 -15.839 -1.761 1.00 0.00 C ATOM 1475 C GLY A 100 -3.073 -16.041 -2.961 1.00 0.00 C ATOM 1476 O GLY A 100 -3.122 -15.270 -3.919 1.00 0.00 O ATOM 0 H GLY A 100 -3.268 -13.868 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.666 -16.511 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.997 -16.111 -2.029 1.00 0.00 H new