USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 869 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 Single : A 21 MET CE :methyl 155:sc= 0 (180deg=-0.473) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0099 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 0.102 (180deg=-0.278) USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.23) USER MOD Single : A 41 MET CE :methyl 151:sc= 0 (180deg=-0.885) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= -0.0394 (180deg=-0.206) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 147:sc= 1.23 USER MOD Single : A 64 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.5) USER MOD Single : A 69 LYS NZ :NH3+ 141:sc= 1.11 (180deg=0.595) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -170:sc= -0.0632 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 89 LYS NZ :NH3+ -166:sc= -0.0298 (180deg=-0.296) USER MOD Single : A 90 THR OG1 : rot 89:sc= 1.23 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= -0.0933 (180deg=-0.47) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 28:sc= 1.17 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0478 USER MOD Single : A 116 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.078) USER MOD Single : A 120 LYS NZ :NH3+ -170:sc= -0.0067 (180deg=-0.137) USER MOD Single : A 123 SER OG : rot 151:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 4.236 -17.118 0.719 1.00 1.82 N ATOM 2 CA MET A 21 3.299 -15.997 0.966 1.00 1.48 C ATOM 3 C MET A 21 3.741 -14.772 0.180 1.00 1.22 C ATOM 4 O MET A 21 4.926 -14.612 -0.105 1.00 1.47 O ATOM 5 CB MET A 21 3.232 -15.657 2.460 1.00 1.86 C ATOM 6 CG MET A 21 4.530 -15.107 3.032 1.00 1.95 C ATOM 7 SD MET A 21 4.347 -14.529 4.730 1.00 2.87 S ATOM 8 CE MET A 21 6.019 -13.992 5.086 1.00 3.09 C ATOM 0 HA MET A 21 2.306 -16.303 0.638 1.00 1.48 H new ATOM 0 HB2 MET A 21 2.439 -14.926 2.620 1.00 1.86 H new ATOM 0 HB3 MET A 21 2.955 -16.554 3.014 1.00 1.86 H new ATOM 0 HG2 MET A 21 5.296 -15.882 2.996 1.00 1.95 H new ATOM 0 HG3 MET A 21 4.879 -14.285 2.407 1.00 1.95 H new ATOM 0 HE1 MET A 21 5.999 -13.235 5.870 1.00 3.09 H new ATOM 0 HE2 MET A 21 6.612 -14.844 5.419 1.00 3.09 H new ATOM 0 HE3 MET A 21 6.465 -13.570 4.186 1.00 3.09 H new ATOM 17 N ARG A 22 2.799 -13.910 -0.166 1.00 0.88 N ATOM 18 CA ARG A 22 3.123 -12.718 -0.935 1.00 0.73 C ATOM 19 C ARG A 22 2.778 -11.456 -0.165 1.00 0.55 C ATOM 20 O ARG A 22 1.725 -11.366 0.469 1.00 0.56 O ATOM 21 CB ARG A 22 2.407 -12.716 -2.284 1.00 0.86 C ATOM 22 CG ARG A 22 2.960 -13.734 -3.266 1.00 1.33 C ATOM 23 CD ARG A 22 2.381 -13.531 -4.653 1.00 1.33 C ATOM 24 NE ARG A 22 2.975 -14.436 -5.633 1.00 1.91 N ATOM 25 CZ ARG A 22 2.742 -14.372 -6.943 1.00 2.43 C ATOM 26 NH1 ARG A 22 1.918 -13.453 -7.431 1.00 2.62 N ATOM 27 NH2 ARG A 22 3.341 -15.222 -7.767 1.00 3.31 N ATOM 0 H ARG A 22 1.812 -14.011 0.070 1.00 0.88 H new ATOM 0 HA ARG A 22 4.198 -12.734 -1.113 1.00 0.73 H new ATOM 0 HB2 ARG A 22 1.347 -12.916 -2.124 1.00 0.86 H new ATOM 0 HB3 ARG A 22 2.481 -11.721 -2.724 1.00 0.86 H new ATOM 0 HG2 ARG A 22 4.046 -13.651 -3.307 1.00 1.33 H new ATOM 0 HG3 ARG A 22 2.731 -14.741 -2.917 1.00 1.33 H new ATOM 0 HD2 ARG A 22 1.303 -13.688 -4.622 1.00 1.33 H new ATOM 0 HD3 ARG A 22 2.544 -12.500 -4.966 1.00 1.33 H new ATOM 0 HE ARG A 22 3.607 -15.161 -5.294 1.00 1.91 H new ATOM 0 HH11 ARG A 22 1.461 -12.793 -6.802 1.00 2.62 H new ATOM 0 HH12 ARG A 22 1.742 -13.407 -8.435 1.00 2.62 H new ATOM 0 HH21 ARG A 22 3.981 -15.925 -7.398 1.00 3.31 H new ATOM 0 HH22 ARG A 22 3.162 -15.172 -8.770 1.00 3.31 H new ATOM 41 N LEU A 23 3.680 -10.492 -0.219 1.00 0.51 N ATOM 42 CA LEU A 23 3.481 -9.214 0.436 1.00 0.43 C ATOM 43 C LEU A 23 3.383 -8.108 -0.611 1.00 0.37 C ATOM 44 O LEU A 23 4.279 -7.940 -1.443 1.00 0.40 O ATOM 45 CB LEU A 23 4.616 -8.916 1.424 1.00 0.58 C ATOM 46 CG LEU A 23 4.675 -9.810 2.672 1.00 1.05 C ATOM 47 CD1 LEU A 23 5.218 -11.193 2.339 1.00 1.76 C ATOM 48 CD2 LEU A 23 5.521 -9.155 3.750 1.00 1.55 C ATOM 0 H LEU A 23 4.567 -10.573 -0.716 1.00 0.51 H new ATOM 0 HA LEU A 23 2.550 -9.257 1.001 1.00 0.43 H new ATOM 0 HB2 LEU A 23 5.564 -9.003 0.894 1.00 0.58 H new ATOM 0 HB3 LEU A 23 4.526 -7.879 1.748 1.00 0.58 H new ATOM 0 HG LEU A 23 3.658 -9.932 3.045 1.00 1.05 H new ATOM 0 HD11 LEU A 23 5.247 -11.800 3.244 1.00 1.76 H new ATOM 0 HD12 LEU A 23 4.572 -11.670 1.602 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.225 -11.100 1.932 1.00 1.76 H new ATOM 0 HD21 LEU A 23 5.554 -9.800 4.628 1.00 1.55 H new ATOM 0 HD22 LEU A 23 6.533 -9.001 3.375 1.00 1.55 H new ATOM 0 HD23 LEU A 23 5.084 -8.194 4.021 1.00 1.55 H new ATOM 60 N VAL A 24 2.289 -7.371 -0.563 1.00 0.35 N ATOM 61 CA VAL A 24 1.981 -6.370 -1.570 1.00 0.37 C ATOM 62 C VAL A 24 2.024 -4.965 -0.981 1.00 0.38 C ATOM 63 O VAL A 24 1.394 -4.689 0.040 1.00 0.42 O ATOM 64 CB VAL A 24 0.581 -6.618 -2.171 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.290 -5.637 -3.297 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.455 -8.052 -2.661 1.00 0.45 C ATOM 0 H VAL A 24 1.588 -7.449 0.174 1.00 0.35 H new ATOM 0 HA VAL A 24 2.736 -6.452 -2.352 1.00 0.37 H new ATOM 0 HB VAL A 24 -0.158 -6.457 -1.386 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.702 -5.833 -3.703 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.329 -4.618 -2.911 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.034 -5.756 -4.084 1.00 0.46 H new ATOM 0 HG21 VAL A 24 -0.539 -8.207 -3.081 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.207 -8.242 -3.427 1.00 0.45 H new ATOM 0 HG23 VAL A 24 0.607 -8.736 -1.826 1.00 0.45 H new ATOM 76 N VAL A 25 2.769 -4.086 -1.629 1.00 0.39 N ATOM 77 CA VAL A 25 2.849 -2.695 -1.225 1.00 0.41 C ATOM 78 C VAL A 25 2.202 -1.816 -2.288 1.00 0.39 C ATOM 79 O VAL A 25 2.704 -1.702 -3.406 1.00 0.42 O ATOM 80 CB VAL A 25 4.309 -2.240 -1.014 1.00 0.46 C ATOM 81 CG1 VAL A 25 4.350 -0.857 -0.385 1.00 0.51 C ATOM 82 CG2 VAL A 25 5.074 -3.241 -0.162 1.00 0.52 C ATOM 0 H VAL A 25 3.333 -4.316 -2.447 1.00 0.39 H new ATOM 0 HA VAL A 25 2.322 -2.596 -0.276 1.00 0.41 H new ATOM 0 HB VAL A 25 4.793 -2.190 -1.989 1.00 0.46 H new ATOM 0 HG11 VAL A 25 5.387 -0.552 -0.243 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.848 -0.144 -1.040 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.844 -0.881 0.580 1.00 0.51 H new ATOM 0 HG21 VAL A 25 6.100 -2.897 -0.029 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.593 -3.333 0.812 1.00 0.52 H new ATOM 0 HG23 VAL A 25 5.079 -4.212 -0.658 1.00 0.52 H new ATOM 92 N LEU A 26 1.079 -1.214 -1.948 1.00 0.40 N ATOM 93 CA LEU A 26 0.369 -0.354 -2.876 1.00 0.38 C ATOM 94 C LEU A 26 0.458 1.092 -2.415 1.00 0.37 C ATOM 95 O LEU A 26 -0.096 1.462 -1.381 1.00 0.48 O ATOM 96 CB LEU A 26 -1.088 -0.810 -3.009 1.00 0.46 C ATOM 97 CG LEU A 26 -1.263 -2.145 -3.738 1.00 0.56 C ATOM 98 CD1 LEU A 26 -2.671 -2.683 -3.571 1.00 1.15 C ATOM 99 CD2 LEU A 26 -0.943 -1.985 -5.212 1.00 1.33 C ATOM 0 H LEU A 26 0.637 -1.305 -1.033 1.00 0.40 H new ATOM 0 HA LEU A 26 0.832 -0.424 -3.860 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.524 -0.893 -2.013 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.650 -0.042 -3.540 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.570 -2.860 -3.295 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -2.763 -3.632 -4.100 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -2.879 -2.836 -2.512 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -3.385 -1.968 -3.981 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -1.072 -2.942 -5.718 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -1.615 -1.248 -5.652 1.00 1.33 H new ATOM 0 HD23 LEU A 26 0.088 -1.650 -5.326 1.00 1.33 H new ATOM 111 N ILE A 27 1.173 1.901 -3.179 1.00 0.33 N ATOM 112 CA ILE A 27 1.453 3.272 -2.777 1.00 0.36 C ATOM 113 C ILE A 27 0.568 4.244 -3.561 1.00 0.39 C ATOM 114 O ILE A 27 0.457 4.151 -4.785 1.00 0.40 O ATOM 115 CB ILE A 27 2.967 3.596 -2.954 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.334 4.972 -2.362 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.384 3.506 -4.418 1.00 1.32 C ATOM 118 CD1 ILE A 27 3.043 6.154 -3.266 1.00 1.36 C ATOM 0 H ILE A 27 1.570 1.634 -4.080 1.00 0.33 H new ATOM 0 HA ILE A 27 1.217 3.388 -1.719 1.00 0.36 H new ATOM 0 HB ILE A 27 3.522 2.842 -2.396 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.790 5.106 -1.427 1.00 0.93 H new ATOM 0 HG13 ILE A 27 4.396 4.974 -2.116 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.445 3.737 -4.509 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.200 2.497 -4.788 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.806 4.219 -5.006 1.00 1.32 H new ATOM 0 HD11 ILE A 27 3.334 7.077 -2.764 1.00 1.36 H new ATOM 0 HD12 ILE A 27 3.608 6.051 -4.192 1.00 1.36 H new ATOM 0 HD13 ILE A 27 1.977 6.185 -3.493 1.00 1.36 H new ATOM 130 N VAL A 28 -0.079 5.160 -2.845 1.00 0.48 N ATOM 131 CA VAL A 28 -0.989 6.111 -3.468 1.00 0.56 C ATOM 132 C VAL A 28 -0.384 7.511 -3.489 1.00 0.86 C ATOM 133 O VAL A 28 -0.462 8.248 -2.501 1.00 1.37 O ATOM 134 CB VAL A 28 -2.332 6.160 -2.710 1.00 0.77 C ATOM 135 CG1 VAL A 28 -3.307 7.110 -3.384 1.00 1.12 C ATOM 136 CG2 VAL A 28 -2.929 4.769 -2.597 1.00 1.17 C ATOM 0 H VAL A 28 0.011 5.262 -1.834 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.160 5.776 -4.491 1.00 0.56 H new ATOM 0 HB VAL A 28 -2.140 6.537 -1.705 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -4.244 7.124 -2.828 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -2.882 8.114 -3.404 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -3.495 6.775 -4.404 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -3.876 4.822 -2.060 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.100 4.364 -3.595 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.240 4.120 -2.056 1.00 1.17 H new ATOM 146 N SER A 29 0.234 7.856 -4.613 1.00 0.85 N ATOM 147 CA SER A 29 0.766 9.191 -4.839 1.00 1.25 C ATOM 148 C SER A 29 1.301 9.280 -6.264 1.00 0.83 C ATOM 149 O SER A 29 1.302 8.285 -6.991 1.00 1.53 O ATOM 150 CB SER A 29 1.887 9.506 -3.840 1.00 2.38 C ATOM 151 OG SER A 29 2.184 10.894 -3.816 1.00 3.23 O ATOM 0 H SER A 29 0.379 7.215 -5.393 1.00 0.85 H new ATOM 0 HA SER A 29 -0.032 9.920 -4.696 1.00 1.25 H new ATOM 0 HB2 SER A 29 1.591 9.178 -2.843 1.00 2.38 H new ATOM 0 HB3 SER A 29 2.783 8.945 -4.107 1.00 2.38 H new ATOM 0 HG SER A 29 2.900 11.064 -3.169 1.00 3.23 H new ATOM 157 N ASN A 30 1.758 10.455 -6.663 1.00 1.19 N ATOM 158 CA ASN A 30 2.531 10.578 -7.887 1.00 1.67 C ATOM 159 C ASN A 30 3.659 11.580 -7.684 1.00 1.19 C ATOM 160 O ASN A 30 3.532 12.763 -8.006 1.00 1.38 O ATOM 161 CB ASN A 30 1.642 11.009 -9.059 1.00 2.93 C ATOM 162 CG ASN A 30 2.416 11.121 -10.361 1.00 3.86 C ATOM 163 OD1 ASN A 30 3.398 10.409 -10.579 1.00 4.32 O ATOM 164 ND2 ASN A 30 1.976 12.010 -11.236 1.00 4.58 N ATOM 0 H ASN A 30 1.609 11.331 -6.162 1.00 1.19 H new ATOM 0 HA ASN A 30 2.954 9.603 -8.128 1.00 1.67 H new ATOM 0 HB2 ASN A 30 0.832 10.290 -9.181 1.00 2.93 H new ATOM 0 HB3 ASN A 30 1.182 11.970 -8.829 1.00 2.93 H new ATOM 0 HD21 ASN A 30 2.454 12.125 -12.130 1.00 4.58 H new ATOM 0 HD22 ASN A 30 1.159 12.580 -11.017 1.00 4.58 H new ATOM 171 N ASP A 31 4.751 11.090 -7.119 1.00 1.45 N ATOM 172 CA ASP A 31 5.980 11.862 -6.982 1.00 1.18 C ATOM 173 C ASP A 31 7.131 11.073 -7.602 1.00 0.94 C ATOM 174 O ASP A 31 6.953 9.908 -7.957 1.00 1.28 O ATOM 175 CB ASP A 31 6.250 12.183 -5.504 1.00 1.61 C ATOM 176 CG ASP A 31 7.494 13.024 -5.286 1.00 1.74 C ATOM 177 OD1 ASP A 31 7.497 14.210 -5.680 1.00 2.03 O ATOM 178 OD2 ASP A 31 8.478 12.506 -4.724 1.00 2.29 O ATOM 0 H ASP A 31 4.812 10.144 -6.741 1.00 1.45 H new ATOM 0 HA ASP A 31 5.882 12.812 -7.506 1.00 1.18 H new ATOM 0 HB2 ASP A 31 5.389 12.708 -5.091 1.00 1.61 H new ATOM 0 HB3 ASP A 31 6.350 11.250 -4.950 1.00 1.61 H new ATOM 183 N LYS A 32 8.299 11.670 -7.739 1.00 0.79 N ATOM 184 CA LYS A 32 9.442 10.930 -8.244 1.00 0.82 C ATOM 185 C LYS A 32 10.192 10.246 -7.104 1.00 0.66 C ATOM 186 O LYS A 32 10.134 9.027 -6.964 1.00 0.68 O ATOM 187 CB LYS A 32 10.380 11.839 -9.037 1.00 1.24 C ATOM 188 CG LYS A 32 9.740 12.418 -10.290 1.00 1.77 C ATOM 189 CD LYS A 32 10.753 13.139 -11.164 1.00 2.22 C ATOM 190 CE LYS A 32 11.828 12.191 -11.672 1.00 3.17 C ATOM 191 NZ LYS A 32 12.710 12.836 -12.680 1.00 3.77 N ATOM 0 H LYS A 32 8.482 12.648 -7.513 1.00 0.79 H new ATOM 0 HA LYS A 32 9.069 10.160 -8.919 1.00 0.82 H new ATOM 0 HB2 LYS A 32 10.711 12.656 -8.396 1.00 1.24 H new ATOM 0 HB3 LYS A 32 11.269 11.275 -9.319 1.00 1.24 H new ATOM 0 HG2 LYS A 32 9.273 11.617 -10.862 1.00 1.77 H new ATOM 0 HG3 LYS A 32 8.948 13.111 -10.006 1.00 1.77 H new ATOM 0 HD2 LYS A 32 10.243 13.599 -12.010 1.00 2.22 H new ATOM 0 HD3 LYS A 32 11.217 13.945 -10.595 1.00 2.22 H new ATOM 0 HE2 LYS A 32 12.431 11.843 -10.833 1.00 3.17 H new ATOM 0 HE3 LYS A 32 11.357 11.312 -12.112 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 13.428 12.155 -12.999 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 12.140 13.145 -13.493 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 13.180 13.660 -12.254 1.00 3.77 H new ATOM 205 N LYS A 33 10.846 11.043 -6.267 1.00 0.71 N ATOM 206 CA LYS A 33 11.716 10.525 -5.206 1.00 0.75 C ATOM 207 C LYS A 33 10.957 9.616 -4.236 1.00 0.68 C ATOM 208 O LYS A 33 11.481 8.589 -3.802 1.00 0.78 O ATOM 209 CB LYS A 33 12.359 11.686 -4.438 1.00 0.95 C ATOM 210 CG LYS A 33 11.342 12.592 -3.769 1.00 1.45 C ATOM 211 CD LYS A 33 11.964 13.863 -3.229 1.00 1.86 C ATOM 212 CE LYS A 33 10.901 14.770 -2.633 1.00 2.71 C ATOM 213 NZ LYS A 33 9.812 15.059 -3.605 1.00 3.23 N ATOM 0 H LYS A 33 10.792 12.061 -6.300 1.00 0.71 H new ATOM 0 HA LYS A 33 12.492 9.926 -5.683 1.00 0.75 H new ATOM 0 HB2 LYS A 33 13.033 11.284 -3.681 1.00 0.95 H new ATOM 0 HB3 LYS A 33 12.966 12.276 -5.124 1.00 0.95 H new ATOM 0 HG2 LYS A 33 10.562 12.849 -4.486 1.00 1.45 H new ATOM 0 HG3 LYS A 33 10.860 12.052 -2.954 1.00 1.45 H new ATOM 0 HD2 LYS A 33 12.706 13.616 -2.470 1.00 1.86 H new ATOM 0 HD3 LYS A 33 12.488 14.386 -4.029 1.00 1.86 H new ATOM 0 HE2 LYS A 33 10.480 14.301 -1.744 1.00 2.71 H new ATOM 0 HE3 LYS A 33 11.360 15.705 -2.312 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 9.260 15.876 -3.275 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 10.225 15.273 -4.535 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 9.189 14.230 -3.685 1.00 3.23 H new ATOM 227 N LEU A 34 9.725 9.997 -3.907 1.00 0.61 N ATOM 228 CA LEU A 34 8.895 9.223 -2.989 1.00 0.64 C ATOM 229 C LEU A 34 8.688 7.814 -3.535 1.00 0.53 C ATOM 230 O LEU A 34 8.825 6.824 -2.814 1.00 0.62 O ATOM 231 CB LEU A 34 7.549 9.946 -2.789 1.00 0.70 C ATOM 232 CG LEU A 34 6.579 9.366 -1.740 1.00 0.82 C ATOM 233 CD1 LEU A 34 5.826 8.161 -2.281 1.00 1.39 C ATOM 234 CD2 LEU A 34 7.316 8.996 -0.465 1.00 1.38 C ATOM 0 H LEU A 34 9.278 10.841 -4.265 1.00 0.61 H new ATOM 0 HA LEU A 34 9.392 9.138 -2.023 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.760 10.980 -2.517 1.00 0.70 H new ATOM 0 HB3 LEU A 34 7.033 9.968 -3.749 1.00 0.70 H new ATOM 0 HG LEU A 34 5.850 10.143 -1.509 1.00 0.82 H new ATOM 0 HD11 LEU A 34 5.152 7.779 -1.514 1.00 1.39 H new ATOM 0 HD12 LEU A 34 5.249 8.456 -3.157 1.00 1.39 H new ATOM 0 HD13 LEU A 34 6.537 7.383 -2.560 1.00 1.39 H new ATOM 0 HD21 LEU A 34 6.610 8.589 0.259 1.00 1.38 H new ATOM 0 HD22 LEU A 34 8.077 8.248 -0.689 1.00 1.38 H new ATOM 0 HD23 LEU A 34 7.791 9.884 -0.049 1.00 1.38 H new ATOM 246 N ILE A 35 8.392 7.738 -4.822 1.00 0.43 N ATOM 247 CA ILE A 35 8.087 6.474 -5.467 1.00 0.43 C ATOM 248 C ILE A 35 9.357 5.687 -5.782 1.00 0.46 C ATOM 249 O ILE A 35 9.429 4.497 -5.491 1.00 0.52 O ATOM 250 CB ILE A 35 7.264 6.702 -6.754 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.880 7.256 -6.390 1.00 0.57 C ATOM 252 CG2 ILE A 35 7.137 5.411 -7.556 1.00 0.61 C ATOM 253 CD1 ILE A 35 4.998 7.535 -7.586 1.00 0.97 C ATOM 0 H ILE A 35 8.357 8.545 -5.444 1.00 0.43 H new ATOM 0 HA ILE A 35 7.491 5.885 -4.770 1.00 0.43 H new ATOM 0 HB ILE A 35 7.783 7.429 -7.379 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.375 6.545 -5.737 1.00 0.57 H new ATOM 0 HG13 ILE A 35 6.006 8.177 -5.821 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.553 5.598 -8.457 1.00 0.61 H new ATOM 0 HG22 ILE A 35 8.129 5.056 -7.834 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.637 4.654 -6.951 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.038 7.924 -7.247 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.480 8.270 -8.230 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.839 6.612 -8.144 1.00 0.97 H new ATOM 265 N GLU A 36 10.357 6.359 -6.350 1.00 0.51 N ATOM 266 CA GLU A 36 11.609 5.706 -6.737 1.00 0.62 C ATOM 267 C GLU A 36 12.216 4.927 -5.578 1.00 0.63 C ATOM 268 O GLU A 36 12.444 3.722 -5.680 1.00 0.64 O ATOM 269 CB GLU A 36 12.624 6.735 -7.238 1.00 0.79 C ATOM 270 CG GLU A 36 12.223 7.414 -8.535 1.00 0.87 C ATOM 271 CD GLU A 36 12.116 6.440 -9.688 1.00 1.64 C ATOM 272 OE1 GLU A 36 13.156 6.130 -10.307 1.00 2.22 O ATOM 273 OE2 GLU A 36 10.996 5.976 -9.985 1.00 2.42 O ATOM 0 H GLU A 36 10.325 7.358 -6.553 1.00 0.51 H new ATOM 0 HA GLU A 36 11.371 5.008 -7.540 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.765 7.495 -6.470 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.586 6.243 -7.380 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.266 7.917 -8.398 1.00 0.87 H new ATOM 0 HG3 GLU A 36 12.955 8.184 -8.780 1.00 0.87 H new ATOM 280 N GLU A 37 12.468 5.618 -4.475 1.00 0.68 N ATOM 281 CA GLU A 37 13.099 5.003 -3.315 1.00 0.77 C ATOM 282 C GLU A 37 12.237 3.874 -2.755 1.00 0.71 C ATOM 283 O GLU A 37 12.730 2.774 -2.517 1.00 0.79 O ATOM 284 CB GLU A 37 13.354 6.051 -2.232 1.00 0.91 C ATOM 285 CG GLU A 37 14.326 7.145 -2.646 1.00 1.41 C ATOM 286 CD GLU A 37 15.740 6.637 -2.834 1.00 1.84 C ATOM 287 OE1 GLU A 37 16.446 6.451 -1.823 1.00 2.30 O ATOM 288 OE2 GLU A 37 16.156 6.435 -3.993 1.00 2.53 O ATOM 0 H GLU A 37 12.245 6.606 -4.359 1.00 0.68 H new ATOM 0 HA GLU A 37 14.052 4.581 -3.635 1.00 0.77 H new ATOM 0 HB2 GLU A 37 12.405 6.509 -1.953 1.00 0.91 H new ATOM 0 HB3 GLU A 37 13.741 5.553 -1.343 1.00 0.91 H new ATOM 0 HG2 GLU A 37 13.981 7.597 -3.576 1.00 1.41 H new ATOM 0 HG3 GLU A 37 14.325 7.930 -1.890 1.00 1.41 H new ATOM 295 N ALA A 38 10.947 4.147 -2.574 1.00 0.61 N ATOM 296 CA ALA A 38 10.025 3.163 -2.013 1.00 0.60 C ATOM 297 C ALA A 38 9.944 1.922 -2.896 1.00 0.54 C ATOM 298 O ALA A 38 9.975 0.793 -2.405 1.00 0.59 O ATOM 299 CB ALA A 38 8.643 3.772 -1.832 1.00 0.60 C ATOM 0 H ALA A 38 10.517 5.042 -2.808 1.00 0.61 H new ATOM 0 HA ALA A 38 10.407 2.862 -1.037 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.968 3.025 -1.413 1.00 0.60 H new ATOM 0 HB2 ALA A 38 8.707 4.624 -1.155 1.00 0.60 H new ATOM 0 HB3 ALA A 38 8.262 4.104 -2.798 1.00 0.60 H new ATOM 305 N ARG A 39 9.855 2.146 -4.203 1.00 0.49 N ATOM 306 CA ARG A 39 9.777 1.063 -5.173 1.00 0.53 C ATOM 307 C ARG A 39 11.034 0.205 -5.114 1.00 0.56 C ATOM 308 O ARG A 39 10.961 -1.023 -5.086 1.00 0.59 O ATOM 309 CB ARG A 39 9.590 1.637 -6.580 1.00 0.60 C ATOM 310 CG ARG A 39 9.373 0.588 -7.654 1.00 0.88 C ATOM 311 CD ARG A 39 9.156 1.230 -9.014 1.00 0.95 C ATOM 312 NE ARG A 39 8.890 0.235 -10.050 1.00 1.37 N ATOM 313 CZ ARG A 39 8.477 0.530 -11.281 1.00 1.97 C ATOM 314 NH1 ARG A 39 8.309 1.797 -11.646 1.00 2.23 N ATOM 315 NH2 ARG A 39 8.231 -0.444 -12.150 1.00 2.73 N ATOM 0 H ARG A 39 9.835 3.078 -4.616 1.00 0.49 H new ATOM 0 HA ARG A 39 8.920 0.434 -4.931 1.00 0.53 H new ATOM 0 HB2 ARG A 39 8.737 2.316 -6.573 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.468 2.230 -6.838 1.00 0.60 H new ATOM 0 HG2 ARG A 39 10.236 -0.077 -7.696 1.00 0.88 H new ATOM 0 HG3 ARG A 39 8.510 -0.026 -7.397 1.00 0.88 H new ATOM 0 HD2 ARG A 39 8.320 1.927 -8.957 1.00 0.95 H new ATOM 0 HD3 ARG A 39 10.037 1.811 -9.286 1.00 0.95 H new ATOM 0 HE ARG A 39 9.029 -0.748 -9.816 1.00 1.37 H new ATOM 0 HH11 ARG A 39 8.497 2.548 -10.982 1.00 2.23 H new ATOM 0 HH12 ARG A 39 7.992 2.018 -12.590 1.00 2.23 H new ATOM 0 HH21 ARG A 39 8.358 -1.418 -11.874 1.00 2.73 H new ATOM 0 HH22 ARG A 39 7.915 -0.218 -13.093 1.00 2.73 H new ATOM 329 N LYS A 40 12.183 0.868 -5.071 1.00 0.59 N ATOM 330 CA LYS A 40 13.467 0.184 -4.993 1.00 0.67 C ATOM 331 C LYS A 40 13.586 -0.626 -3.707 1.00 0.65 C ATOM 332 O LYS A 40 14.022 -1.775 -3.732 1.00 0.71 O ATOM 333 CB LYS A 40 14.611 1.192 -5.078 1.00 0.78 C ATOM 334 CG LYS A 40 14.804 1.778 -6.469 1.00 0.83 C ATOM 335 CD LYS A 40 16.061 2.629 -6.547 1.00 1.29 C ATOM 336 CE LYS A 40 16.006 3.798 -5.581 1.00 1.82 C ATOM 337 NZ LYS A 40 17.264 4.588 -5.586 1.00 2.52 N ATOM 0 H LYS A 40 12.251 1.886 -5.089 1.00 0.59 H new ATOM 0 HA LYS A 40 13.529 -0.503 -5.837 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.423 2.003 -4.374 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.536 0.707 -4.766 1.00 0.78 H new ATOM 0 HG2 LYS A 40 14.864 0.971 -7.199 1.00 0.83 H new ATOM 0 HG3 LYS A 40 13.937 2.383 -6.733 1.00 0.83 H new ATOM 0 HD2 LYS A 40 16.932 2.013 -6.324 1.00 1.29 H new ATOM 0 HD3 LYS A 40 16.186 3.002 -7.564 1.00 1.29 H new ATOM 0 HE2 LYS A 40 15.170 4.446 -5.845 1.00 1.82 H new ATOM 0 HE3 LYS A 40 15.816 3.427 -4.574 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 17.169 5.395 -4.937 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 18.053 3.986 -5.277 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 17.451 4.937 -6.548 1.00 2.52 H new ATOM 351 N MET A 41 13.191 -0.027 -2.589 1.00 0.64 N ATOM 352 CA MET A 41 13.279 -0.694 -1.293 1.00 0.68 C ATOM 353 C MET A 41 12.401 -1.938 -1.266 1.00 0.63 C ATOM 354 O MET A 41 12.782 -2.971 -0.710 1.00 0.67 O ATOM 355 CB MET A 41 12.873 0.250 -0.157 1.00 0.82 C ATOM 356 CG MET A 41 13.829 1.415 0.038 1.00 0.99 C ATOM 357 SD MET A 41 15.516 0.875 0.376 1.00 1.64 S ATOM 358 CE MET A 41 16.369 2.448 0.416 1.00 2.61 C ATOM 0 H MET A 41 12.807 0.917 -2.553 1.00 0.64 H new ATOM 0 HA MET A 41 14.318 -0.989 -1.145 1.00 0.68 H new ATOM 0 HB2 MET A 41 11.875 0.640 -0.359 1.00 0.82 H new ATOM 0 HB3 MET A 41 12.812 -0.318 0.771 1.00 0.82 H new ATOM 0 HG2 MET A 41 13.823 2.039 -0.856 1.00 0.99 H new ATOM 0 HG3 MET A 41 13.477 2.035 0.863 1.00 0.99 H new ATOM 0 HE1 MET A 41 17.230 2.378 1.081 1.00 2.61 H new ATOM 0 HE2 MET A 41 16.706 2.705 -0.588 1.00 2.61 H new ATOM 0 HE3 MET A 41 15.691 3.220 0.780 1.00 2.61 H new ATOM 368 N ALA A 42 11.234 -1.832 -1.884 1.00 0.60 N ATOM 369 CA ALA A 42 10.295 -2.938 -1.944 1.00 0.64 C ATOM 370 C ALA A 42 10.809 -4.041 -2.860 1.00 0.61 C ATOM 371 O ALA A 42 10.881 -5.203 -2.464 1.00 0.66 O ATOM 372 CB ALA A 42 8.939 -2.444 -2.419 1.00 0.75 C ATOM 0 H ALA A 42 10.915 -0.985 -2.353 1.00 0.60 H new ATOM 0 HA ALA A 42 10.190 -3.354 -0.942 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.241 -3.280 -2.461 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.563 -1.692 -1.726 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.039 -2.005 -3.412 1.00 0.75 H new ATOM 378 N GLU A 43 11.187 -3.669 -4.077 1.00 0.62 N ATOM 379 CA GLU A 43 11.658 -4.632 -5.066 1.00 0.75 C ATOM 380 C GLU A 43 12.903 -5.355 -4.559 1.00 0.71 C ATOM 381 O GLU A 43 13.059 -6.564 -4.750 1.00 0.79 O ATOM 382 CB GLU A 43 11.970 -3.922 -6.385 1.00 0.93 C ATOM 383 CG GLU A 43 12.164 -4.868 -7.556 1.00 1.33 C ATOM 384 CD GLU A 43 10.892 -5.607 -7.916 1.00 1.88 C ATOM 385 OE1 GLU A 43 10.767 -6.799 -7.568 1.00 2.39 O ATOM 386 OE2 GLU A 43 10.008 -4.999 -8.554 1.00 2.57 O ATOM 0 H GLU A 43 11.176 -2.703 -4.404 1.00 0.62 H new ATOM 0 HA GLU A 43 10.871 -5.367 -5.233 1.00 0.75 H new ATOM 0 HB2 GLU A 43 11.158 -3.232 -6.617 1.00 0.93 H new ATOM 0 HB3 GLU A 43 12.872 -3.323 -6.260 1.00 0.93 H new ATOM 0 HG2 GLU A 43 12.511 -4.304 -8.422 1.00 1.33 H new ATOM 0 HG3 GLU A 43 12.944 -5.589 -7.312 1.00 1.33 H new ATOM 393 N LYS A 44 13.773 -4.604 -3.892 1.00 0.68 N ATOM 394 CA LYS A 44 15.018 -5.143 -3.355 1.00 0.77 C ATOM 395 C LYS A 44 14.741 -6.246 -2.340 1.00 0.69 C ATOM 396 O LYS A 44 15.460 -7.242 -2.278 1.00 0.80 O ATOM 397 CB LYS A 44 15.825 -4.027 -2.687 1.00 0.92 C ATOM 398 CG LYS A 44 17.260 -4.409 -2.348 1.00 1.42 C ATOM 399 CD LYS A 44 18.128 -4.525 -3.594 1.00 1.99 C ATOM 400 CE LYS A 44 18.186 -3.213 -4.370 1.00 2.49 C ATOM 401 NZ LYS A 44 18.653 -2.075 -3.531 1.00 2.98 N ATOM 0 H LYS A 44 13.637 -3.610 -3.709 1.00 0.68 H new ATOM 0 HA LYS A 44 15.590 -5.565 -4.182 1.00 0.77 H new ATOM 0 HB2 LYS A 44 15.838 -3.159 -3.347 1.00 0.92 H new ATOM 0 HB3 LYS A 44 15.316 -3.724 -1.772 1.00 0.92 H new ATOM 0 HG2 LYS A 44 17.685 -3.662 -1.678 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.266 -5.358 -1.812 1.00 1.42 H new ATOM 0 HD2 LYS A 44 19.137 -4.822 -3.307 1.00 1.99 H new ATOM 0 HD3 LYS A 44 17.735 -5.311 -4.239 1.00 1.99 H new ATOM 0 HE2 LYS A 44 18.854 -3.329 -5.224 1.00 2.49 H new ATOM 0 HE3 LYS A 44 17.197 -2.985 -4.767 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 18.837 -1.250 -4.137 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 17.921 -1.835 -2.832 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 19.528 -2.344 -3.037 1.00 2.98 H new ATOM 415 N ALA A 45 13.684 -6.072 -1.558 1.00 0.61 N ATOM 416 CA ALA A 45 13.362 -7.015 -0.498 1.00 0.64 C ATOM 417 C ALA A 45 12.247 -7.969 -0.920 1.00 0.60 C ATOM 418 O ALA A 45 11.609 -8.601 -0.079 1.00 0.71 O ATOM 419 CB ALA A 45 12.983 -6.266 0.768 1.00 0.76 C ATOM 0 H ALA A 45 13.037 -5.288 -1.638 1.00 0.61 H new ATOM 0 HA ALA A 45 14.248 -7.618 -0.298 1.00 0.64 H new ATOM 0 HB1 ALA A 45 12.744 -6.980 1.556 1.00 0.76 H new ATOM 0 HB2 ALA A 45 13.818 -5.642 1.086 1.00 0.76 H new ATOM 0 HB3 ALA A 45 12.114 -5.637 0.572 1.00 0.76 H new ATOM 425 N ASN A 46 12.014 -8.047 -2.229 1.00 0.56 N ATOM 426 CA ASN A 46 11.048 -8.988 -2.807 1.00 0.65 C ATOM 427 C ASN A 46 9.613 -8.671 -2.392 1.00 0.62 C ATOM 428 O ASN A 46 8.849 -9.566 -2.035 1.00 0.80 O ATOM 429 CB ASN A 46 11.391 -10.433 -2.424 1.00 0.83 C ATOM 430 CG ASN A 46 12.707 -10.897 -3.011 1.00 1.46 C ATOM 431 OD1 ASN A 46 13.116 -10.448 -4.082 1.00 2.11 O ATOM 432 ND2 ASN A 46 13.381 -11.798 -2.316 1.00 2.22 N ATOM 0 H ASN A 46 12.486 -7.463 -2.919 1.00 0.56 H new ATOM 0 HA ASN A 46 11.116 -8.878 -3.889 1.00 0.65 H new ATOM 0 HB2 ASN A 46 11.433 -10.516 -1.338 1.00 0.83 H new ATOM 0 HB3 ASN A 46 10.593 -11.094 -2.764 1.00 0.83 H new ATOM 0 HD21 ASN A 46 14.275 -12.146 -2.663 1.00 2.22 H new ATOM 0 HD22 ASN A 46 13.007 -12.145 -1.433 1.00 2.22 H new ATOM 439 N LEU A 47 9.250 -7.398 -2.429 1.00 0.48 N ATOM 440 CA LEU A 47 7.869 -6.994 -2.186 1.00 0.48 C ATOM 441 C LEU A 47 7.189 -6.653 -3.504 1.00 0.45 C ATOM 442 O LEU A 47 7.815 -6.088 -4.403 1.00 0.53 O ATOM 443 CB LEU A 47 7.784 -5.775 -1.251 1.00 0.51 C ATOM 444 CG LEU A 47 8.144 -6.003 0.223 1.00 0.58 C ATOM 445 CD1 LEU A 47 7.465 -7.245 0.767 1.00 1.10 C ATOM 446 CD2 LEU A 47 9.644 -6.084 0.409 1.00 1.11 C ATOM 0 H LEU A 47 9.889 -6.627 -2.624 1.00 0.48 H new ATOM 0 HA LEU A 47 7.365 -7.832 -1.704 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.441 -4.999 -1.644 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.767 -5.384 -1.295 1.00 0.51 H new ATOM 0 HG LEU A 47 7.779 -5.146 0.790 1.00 0.58 H new ATOM 0 HD11 LEU A 47 7.739 -7.381 1.813 1.00 1.10 H new ATOM 0 HD12 LEU A 47 6.384 -7.133 0.686 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.784 -8.115 0.193 1.00 1.10 H new ATOM 0 HD21 LEU A 47 9.872 -6.246 1.463 1.00 1.11 H new ATOM 0 HD22 LEU A 47 10.039 -6.912 -0.179 1.00 1.11 H new ATOM 0 HD23 LEU A 47 10.103 -5.152 0.078 1.00 1.11 H new ATOM 458 N GLU A 48 5.919 -7.005 -3.621 1.00 0.43 N ATOM 459 CA GLU A 48 5.136 -6.642 -4.790 1.00 0.47 C ATOM 460 C GLU A 48 4.624 -5.217 -4.629 1.00 0.45 C ATOM 461 O GLU A 48 3.619 -4.989 -3.963 1.00 0.49 O ATOM 462 CB GLU A 48 3.955 -7.612 -4.951 1.00 0.58 C ATOM 463 CG GLU A 48 2.977 -7.236 -6.059 1.00 0.80 C ATOM 464 CD GLU A 48 3.577 -7.363 -7.444 1.00 1.27 C ATOM 465 OE1 GLU A 48 3.168 -8.282 -8.186 1.00 2.13 O ATOM 466 OE2 GLU A 48 4.461 -6.558 -7.796 1.00 1.74 O ATOM 0 H GLU A 48 5.408 -7.542 -2.920 1.00 0.43 H new ATOM 0 HA GLU A 48 5.762 -6.703 -5.681 1.00 0.47 H new ATOM 0 HB2 GLU A 48 4.345 -8.610 -5.151 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.413 -7.665 -4.007 1.00 0.58 H new ATOM 0 HG2 GLU A 48 2.096 -7.874 -5.991 1.00 0.80 H new ATOM 0 HG3 GLU A 48 2.641 -6.210 -5.907 1.00 0.80 H new ATOM 473 N LEU A 49 5.310 -4.257 -5.226 1.00 0.46 N ATOM 474 CA LEU A 49 4.893 -2.871 -5.106 1.00 0.50 C ATOM 475 C LEU A 49 4.337 -2.370 -6.425 1.00 0.45 C ATOM 476 O LEU A 49 4.975 -2.486 -7.472 1.00 0.54 O ATOM 477 CB LEU A 49 6.049 -1.980 -4.626 1.00 0.67 C ATOM 478 CG LEU A 49 5.656 -0.540 -4.253 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.588 0.007 -3.185 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.679 0.370 -5.474 1.00 0.99 C ATOM 0 H LEU A 49 6.146 -4.408 -5.791 1.00 0.46 H new ATOM 0 HA LEU A 49 4.104 -2.819 -4.356 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.512 -2.449 -3.758 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.806 -1.942 -5.409 1.00 0.67 H new ATOM 0 HG LEU A 49 4.639 -0.565 -3.861 1.00 0.75 H new ATOM 0 HD11 LEU A 49 6.295 1.026 -2.934 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.527 -0.618 -2.294 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.611 0.006 -3.560 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.397 1.381 -5.180 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.682 0.383 -5.900 1.00 0.99 H new ATOM 0 HD23 LEU A 49 4.974 -0.001 -6.218 1.00 0.99 H new ATOM 492 N ILE A 50 3.140 -1.824 -6.366 1.00 0.39 N ATOM 493 CA ILE A 50 2.503 -1.238 -7.526 1.00 0.43 C ATOM 494 C ILE A 50 2.160 0.218 -7.246 1.00 0.40 C ATOM 495 O ILE A 50 1.627 0.548 -6.183 1.00 0.37 O ATOM 496 CB ILE A 50 1.234 -2.021 -7.936 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.627 -3.317 -8.652 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.320 -1.168 -8.806 1.00 0.62 C ATOM 499 CD1 ILE A 50 0.448 -4.169 -9.074 1.00 1.31 C ATOM 0 H ILE A 50 2.582 -1.774 -5.513 1.00 0.39 H new ATOM 0 HA ILE A 50 3.204 -1.291 -8.359 1.00 0.43 H new ATOM 0 HB ILE A 50 0.678 -2.278 -7.034 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.217 -3.068 -9.534 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.269 -3.903 -7.994 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.564 -1.744 -9.079 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.017 -0.279 -8.253 1.00 0.62 H new ATOM 0 HG23 ILE A 50 0.852 -0.870 -9.709 1.00 0.62 H new ATOM 0 HD11 ILE A 50 0.809 -5.068 -9.574 1.00 1.31 H new ATOM 0 HD12 ILE A 50 -0.131 -4.450 -8.194 1.00 1.31 H new ATOM 0 HD13 ILE A 50 -0.184 -3.603 -9.758 1.00 1.31 H new ATOM 511 N THR A 51 2.490 1.087 -8.188 1.00 0.48 N ATOM 512 CA THR A 51 2.203 2.499 -8.043 1.00 0.52 C ATOM 513 C THR A 51 0.752 2.781 -8.412 1.00 0.56 C ATOM 514 O THR A 51 0.339 2.582 -9.557 1.00 0.66 O ATOM 515 CB THR A 51 3.132 3.354 -8.923 1.00 0.63 C ATOM 516 OG1 THR A 51 4.501 2.982 -8.706 1.00 1.19 O ATOM 517 CG2 THR A 51 2.958 4.828 -8.606 1.00 1.20 C ATOM 0 H THR A 51 2.957 0.836 -9.060 1.00 0.48 H new ATOM 0 HA THR A 51 2.375 2.766 -7.000 1.00 0.52 H new ATOM 0 HB THR A 51 2.868 3.179 -9.966 1.00 0.63 H new ATOM 0 HG1 THR A 51 5.083 3.531 -9.272 1.00 1.19 H new ATOM 0 HG21 THR A 51 3.623 5.417 -9.238 1.00 1.20 H new ATOM 0 HG22 THR A 51 1.925 5.121 -8.794 1.00 1.20 H new ATOM 0 HG23 THR A 51 3.201 5.006 -7.558 1.00 1.20 H new ATOM 525 N VAL A 52 -0.017 3.226 -7.437 1.00 0.68 N ATOM 526 CA VAL A 52 -1.426 3.506 -7.638 1.00 0.78 C ATOM 527 C VAL A 52 -1.636 4.977 -7.971 1.00 0.85 C ATOM 528 O VAL A 52 -0.866 5.830 -7.526 1.00 1.66 O ATOM 529 CB VAL A 52 -2.242 3.153 -6.369 1.00 1.35 C ATOM 530 CG1 VAL A 52 -3.693 3.599 -6.500 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.162 1.660 -6.090 1.00 1.95 C ATOM 0 H VAL A 52 0.314 3.403 -6.489 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.771 2.892 -8.470 1.00 0.78 H new ATOM 0 HB VAL A 52 -1.807 3.691 -5.527 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.238 3.336 -5.593 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -3.730 4.679 -6.646 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -4.151 3.101 -7.355 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.740 1.425 -5.196 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -2.567 1.109 -6.939 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.122 1.374 -5.935 1.00 1.95 H new ATOM 541 N PRO A 53 -2.649 5.287 -8.803 1.00 0.73 N ATOM 542 CA PRO A 53 -3.154 6.648 -8.974 1.00 0.90 C ATOM 543 C PRO A 53 -3.404 7.326 -7.626 1.00 0.88 C ATOM 544 O PRO A 53 -3.541 6.667 -6.597 1.00 1.64 O ATOM 545 CB PRO A 53 -4.477 6.461 -9.736 1.00 1.83 C ATOM 546 CG PRO A 53 -4.721 4.988 -9.772 1.00 2.29 C ATOM 547 CD PRO A 53 -3.371 4.346 -9.667 1.00 1.49 C ATOM 0 HA PRO A 53 -2.444 7.286 -9.501 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -5.294 6.981 -9.235 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -4.409 6.871 -10.744 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -5.366 4.679 -8.949 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -5.221 4.697 -10.696 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -3.426 3.350 -9.228 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -2.894 4.239 -10.641 1.00 1.49 H new ATOM 555 N GLY A 54 -3.485 8.643 -7.651 1.00 1.49 N ATOM 556 CA GLY A 54 -3.504 9.435 -6.429 1.00 2.14 C ATOM 557 C GLY A 54 -4.782 9.312 -5.611 1.00 1.80 C ATOM 558 O GLY A 54 -5.010 10.108 -4.698 1.00 2.08 O ATOM 0 H GLY A 54 -3.539 9.193 -8.509 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -2.660 9.138 -5.806 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -3.355 10.483 -6.689 1.00 2.14 H new ATOM 562 N SER A 55 -5.617 8.335 -5.927 1.00 1.36 N ATOM 563 CA SER A 55 -6.819 8.083 -5.153 1.00 0.97 C ATOM 564 C SER A 55 -6.702 6.773 -4.379 1.00 0.64 C ATOM 565 O SER A 55 -6.289 5.745 -4.919 1.00 0.50 O ATOM 566 CB SER A 55 -8.034 8.044 -6.060 1.00 1.19 C ATOM 567 OG SER A 55 -7.774 7.275 -7.223 1.00 1.75 O ATOM 0 H SER A 55 -5.483 7.703 -6.716 1.00 1.36 H new ATOM 0 HA SER A 55 -6.938 8.897 -4.438 1.00 0.97 H new ATOM 0 HB2 SER A 55 -8.881 7.620 -5.521 1.00 1.19 H new ATOM 0 HB3 SER A 55 -8.313 9.059 -6.345 1.00 1.19 H new ATOM 0 HG SER A 55 -8.597 6.827 -7.510 1.00 1.75 H new ATOM 573 N PRO A 56 -7.081 6.802 -3.095 1.00 0.66 N ATOM 574 CA PRO A 56 -6.902 5.670 -2.179 1.00 0.58 C ATOM 575 C PRO A 56 -7.835 4.496 -2.465 1.00 0.53 C ATOM 576 O PRO A 56 -7.523 3.349 -2.143 1.00 0.62 O ATOM 577 CB PRO A 56 -7.214 6.292 -0.822 1.00 0.70 C ATOM 578 CG PRO A 56 -8.191 7.370 -1.126 1.00 1.09 C ATOM 579 CD PRO A 56 -7.736 7.949 -2.432 1.00 0.87 C ATOM 0 HA PRO A 56 -5.906 5.234 -2.262 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -7.634 5.557 -0.135 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -6.315 6.691 -0.352 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -9.204 6.975 -1.201 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -8.201 8.126 -0.341 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -8.573 8.330 -3.018 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -7.045 8.779 -2.286 1.00 0.87 H new ATOM 587 N GLU A 57 -8.977 4.789 -3.074 1.00 0.62 N ATOM 588 CA GLU A 57 -9.990 3.777 -3.337 1.00 0.80 C ATOM 589 C GLU A 57 -9.498 2.777 -4.381 1.00 0.67 C ATOM 590 O GLU A 57 -9.657 1.566 -4.220 1.00 0.67 O ATOM 591 CB GLU A 57 -11.282 4.452 -3.800 1.00 1.14 C ATOM 592 CG GLU A 57 -12.441 3.497 -4.023 1.00 1.80 C ATOM 593 CD GLU A 57 -13.714 4.219 -4.407 1.00 1.95 C ATOM 594 OE1 GLU A 57 -14.604 4.362 -3.548 1.00 2.06 O ATOM 595 OE2 GLU A 57 -13.826 4.656 -5.572 1.00 2.70 O ATOM 0 H GLU A 57 -9.225 5.724 -3.396 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.188 3.227 -2.417 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -11.576 5.195 -3.058 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.085 4.989 -4.728 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -12.178 2.787 -4.807 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -12.613 2.920 -3.115 1.00 1.80 H new ATOM 602 N GLU A 58 -8.884 3.297 -5.439 1.00 0.61 N ATOM 603 CA GLU A 58 -8.340 2.464 -6.510 1.00 0.56 C ATOM 604 C GLU A 58 -7.307 1.480 -5.971 1.00 0.50 C ATOM 605 O GLU A 58 -7.236 0.335 -6.422 1.00 0.54 O ATOM 606 CB GLU A 58 -7.707 3.339 -7.596 1.00 0.62 C ATOM 607 CG GLU A 58 -8.692 3.865 -8.635 1.00 1.18 C ATOM 608 CD GLU A 58 -9.890 4.568 -8.030 1.00 1.57 C ATOM 609 OE1 GLU A 58 -9.703 5.572 -7.312 1.00 2.30 O ATOM 610 OE2 GLU A 58 -11.030 4.133 -8.290 1.00 2.01 O ATOM 0 H GLU A 58 -8.749 4.298 -5.579 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.164 1.896 -6.942 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -7.212 4.186 -7.121 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -6.934 2.763 -8.105 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -8.173 4.556 -9.300 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -9.040 3.034 -9.248 1.00 1.18 H new ATOM 617 N ALA A 59 -6.518 1.928 -5.000 1.00 0.52 N ATOM 618 CA ALA A 59 -5.480 1.095 -4.401 1.00 0.59 C ATOM 619 C ALA A 59 -6.074 -0.122 -3.716 1.00 0.50 C ATOM 620 O ALA A 59 -5.684 -1.255 -3.989 1.00 0.50 O ATOM 621 CB ALA A 59 -4.673 1.894 -3.392 1.00 0.78 C ATOM 0 H ALA A 59 -6.578 2.868 -4.609 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.827 0.758 -5.206 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.904 1.257 -2.955 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.203 2.741 -3.891 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.333 2.258 -2.604 1.00 0.78 H new ATOM 627 N ILE A 60 -7.025 0.120 -2.833 1.00 0.51 N ATOM 628 CA ILE A 60 -7.594 -0.942 -2.021 1.00 0.52 C ATOM 629 C ILE A 60 -8.417 -1.905 -2.871 1.00 0.50 C ATOM 630 O ILE A 60 -8.478 -3.103 -2.591 1.00 0.52 O ATOM 631 CB ILE A 60 -8.462 -0.364 -0.892 1.00 0.63 C ATOM 632 CG1 ILE A 60 -7.675 0.708 -0.136 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.898 -1.470 0.058 1.00 0.74 C ATOM 634 CD1 ILE A 60 -8.471 1.394 0.945 1.00 1.03 C ATOM 0 H ILE A 60 -7.421 1.044 -2.659 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.766 -1.495 -1.578 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.354 0.089 -1.324 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -6.792 0.251 0.310 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -7.323 1.456 -0.846 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -9.512 -1.046 0.853 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.477 -2.213 -0.490 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -8.018 -1.944 0.493 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -7.848 2.141 1.437 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -9.340 1.881 0.503 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -8.801 0.657 1.677 1.00 1.03 H new ATOM 646 N ARG A 61 -9.035 -1.388 -3.923 1.00 0.51 N ATOM 647 CA ARG A 61 -9.778 -2.236 -4.840 1.00 0.57 C ATOM 648 C ARG A 61 -8.821 -3.064 -5.691 1.00 0.55 C ATOM 649 O ARG A 61 -9.137 -4.187 -6.084 1.00 0.67 O ATOM 650 CB ARG A 61 -10.720 -1.402 -5.711 1.00 0.63 C ATOM 651 CG ARG A 61 -11.854 -0.780 -4.912 1.00 0.68 C ATOM 652 CD ARG A 61 -12.876 -0.090 -5.799 1.00 0.85 C ATOM 653 NE ARG A 61 -13.998 0.423 -5.012 1.00 1.75 N ATOM 654 CZ ARG A 61 -15.031 1.098 -5.513 1.00 2.33 C ATOM 655 NH1 ARG A 61 -15.116 1.333 -6.817 1.00 2.28 N ATOM 656 NH2 ARG A 61 -15.986 1.534 -4.700 1.00 3.35 N ATOM 0 H ARG A 61 -9.037 -0.396 -4.160 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.392 -2.923 -4.258 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -10.151 -0.613 -6.203 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -11.137 -2.032 -6.497 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.349 -1.554 -4.326 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.444 -0.058 -4.205 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -12.400 0.730 -6.337 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -13.244 -0.791 -6.548 1.00 0.85 H new ATOM 0 HE ARG A 61 -13.988 0.251 -4.007 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -14.386 0.996 -7.445 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -15.911 1.851 -7.191 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -15.926 1.351 -3.698 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -16.780 2.052 -5.077 1.00 3.35 H new ATOM 670 N LEU A 62 -7.636 -2.520 -5.950 1.00 0.47 N ATOM 671 CA LEU A 62 -6.593 -3.271 -6.633 1.00 0.50 C ATOM 672 C LEU A 62 -6.029 -4.324 -5.687 1.00 0.43 C ATOM 673 O LEU A 62 -5.625 -5.406 -6.108 1.00 0.45 O ATOM 674 CB LEU A 62 -5.480 -2.337 -7.118 1.00 0.59 C ATOM 675 CG LEU A 62 -4.397 -2.996 -7.975 1.00 0.69 C ATOM 676 CD1 LEU A 62 -4.998 -3.598 -9.237 1.00 1.22 C ATOM 677 CD2 LEU A 62 -3.319 -1.986 -8.333 1.00 1.03 C ATOM 0 H LEU A 62 -7.377 -1.566 -5.698 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.022 -3.762 -7.506 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -5.932 -1.528 -7.692 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -5.005 -1.883 -6.248 1.00 0.59 H new ATOM 0 HG LEU A 62 -3.945 -3.800 -7.395 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -4.210 -4.061 -9.831 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -5.737 -4.352 -8.964 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -5.479 -2.813 -9.821 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -2.556 -2.469 -8.943 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -3.763 -1.163 -8.893 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -2.864 -1.600 -7.421 1.00 1.03 H new ATOM 689 N ALA A 63 -6.018 -3.996 -4.399 1.00 0.41 N ATOM 690 CA ALA A 63 -5.618 -4.938 -3.364 1.00 0.42 C ATOM 691 C ALA A 63 -6.518 -6.166 -3.388 1.00 0.46 C ATOM 692 O ALA A 63 -6.047 -7.293 -3.257 1.00 0.49 O ATOM 693 CB ALA A 63 -5.662 -4.272 -1.995 1.00 0.49 C ATOM 0 H ALA A 63 -6.284 -3.076 -4.047 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.594 -5.256 -3.561 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -5.360 -4.989 -1.232 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.981 -3.421 -1.982 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.676 -3.929 -1.790 1.00 0.49 H new ATOM 699 N GLN A 64 -7.814 -5.935 -3.576 1.00 0.52 N ATOM 700 CA GLN A 64 -8.785 -7.022 -3.671 1.00 0.64 C ATOM 701 C GLN A 64 -8.508 -7.890 -4.891 1.00 0.62 C ATOM 702 O GLN A 64 -8.750 -9.096 -4.879 1.00 0.69 O ATOM 703 CB GLN A 64 -10.208 -6.463 -3.735 1.00 0.77 C ATOM 704 CG GLN A 64 -10.623 -5.724 -2.476 1.00 1.11 C ATOM 705 CD GLN A 64 -10.586 -6.613 -1.249 1.00 1.39 C ATOM 706 OE1 GLN A 64 -11.578 -7.243 -0.890 1.00 1.95 O ATOM 707 NE2 GLN A 64 -9.433 -6.679 -0.603 1.00 2.12 N ATOM 0 H GLN A 64 -8.218 -5.003 -3.666 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.690 -7.641 -2.779 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -10.287 -5.787 -4.587 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.905 -7.282 -3.913 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -9.962 -4.871 -2.324 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -11.630 -5.328 -2.605 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -8.632 -6.140 -0.933 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -9.345 -7.269 0.225 1.00 2.12 H new ATOM 716 N GLU A 65 -7.996 -7.265 -5.940 1.00 0.58 N ATOM 717 CA GLU A 65 -7.625 -7.976 -7.152 1.00 0.63 C ATOM 718 C GLU A 65 -6.378 -8.816 -6.899 1.00 0.55 C ATOM 719 O GLU A 65 -6.392 -10.034 -7.061 1.00 0.62 O ATOM 720 CB GLU A 65 -7.363 -6.978 -8.282 1.00 0.69 C ATOM 721 CG GLU A 65 -7.203 -7.621 -9.646 1.00 1.24 C ATOM 722 CD GLU A 65 -8.479 -8.281 -10.117 1.00 1.50 C ATOM 723 OE1 GLU A 65 -8.513 -9.523 -10.226 1.00 2.21 O ATOM 724 OE2 GLU A 65 -9.463 -7.558 -10.370 1.00 1.95 O ATOM 0 H GLU A 65 -7.827 -6.260 -5.975 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.443 -8.634 -7.444 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -8.187 -6.265 -8.322 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -6.461 -6.411 -8.051 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -6.898 -6.865 -10.369 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -6.405 -8.363 -9.605 1.00 1.24 H new ATOM 731 N ILE A 66 -5.312 -8.153 -6.464 1.00 0.46 N ATOM 732 CA ILE A 66 -4.021 -8.799 -6.271 1.00 0.46 C ATOM 733 C ILE A 66 -4.099 -9.925 -5.238 1.00 0.43 C ATOM 734 O ILE A 66 -3.531 -10.997 -5.441 1.00 0.48 O ATOM 735 CB ILE A 66 -2.950 -7.773 -5.838 1.00 0.54 C ATOM 736 CG1 ILE A 66 -2.839 -6.657 -6.880 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.602 -8.452 -5.645 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.882 -5.552 -6.490 1.00 0.53 C ATOM 0 H ILE A 66 -5.319 -7.159 -6.237 1.00 0.46 H new ATOM 0 HA ILE A 66 -3.736 -9.232 -7.230 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.253 -7.338 -4.886 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.515 -7.088 -7.827 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -3.827 -6.228 -7.046 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -0.862 -7.712 -5.340 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.688 -9.218 -4.874 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.289 -8.913 -6.582 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.856 -4.798 -7.277 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -2.216 -5.094 -5.559 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -0.884 -5.967 -6.353 1.00 0.53 H new ATOM 750 N ALA A 67 -4.817 -9.688 -4.145 1.00 0.44 N ATOM 751 CA ALA A 67 -4.914 -10.666 -3.065 1.00 0.51 C ATOM 752 C ALA A 67 -5.741 -11.881 -3.477 1.00 0.55 C ATOM 753 O ALA A 67 -5.541 -12.982 -2.963 1.00 0.63 O ATOM 754 CB ALA A 67 -5.501 -10.026 -1.817 1.00 0.60 C ATOM 0 H ALA A 67 -5.340 -8.828 -3.983 1.00 0.44 H new ATOM 0 HA ALA A 67 -3.904 -11.011 -2.844 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.566 -10.770 -1.023 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.861 -9.205 -1.494 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.498 -9.644 -2.038 1.00 0.60 H new ATOM 760 N GLU A 68 -6.670 -11.680 -4.402 1.00 0.60 N ATOM 761 CA GLU A 68 -7.496 -12.773 -4.898 1.00 0.73 C ATOM 762 C GLU A 68 -6.741 -13.555 -5.967 1.00 0.73 C ATOM 763 O GLU A 68 -7.022 -14.725 -6.226 1.00 0.87 O ATOM 764 CB GLU A 68 -8.812 -12.235 -5.466 1.00 0.83 C ATOM 765 CG GLU A 68 -9.791 -13.324 -5.882 1.00 1.10 C ATOM 766 CD GLU A 68 -10.310 -14.132 -4.708 1.00 1.71 C ATOM 767 OE1 GLU A 68 -11.533 -14.102 -4.460 1.00 2.46 O ATOM 768 OE2 GLU A 68 -9.502 -14.807 -4.033 1.00 2.22 O ATOM 0 H GLU A 68 -6.870 -10.773 -4.823 1.00 0.60 H new ATOM 0 HA GLU A 68 -7.726 -13.441 -4.068 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.286 -11.599 -4.719 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -8.594 -11.606 -6.329 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -10.633 -12.869 -6.403 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -9.302 -13.994 -6.590 1.00 1.10 H new ATOM 775 N LYS A 69 -5.770 -12.897 -6.576 1.00 0.65 N ATOM 776 CA LYS A 69 -4.983 -13.498 -7.640 1.00 0.71 C ATOM 777 C LYS A 69 -3.621 -13.947 -7.121 1.00 0.73 C ATOM 778 O LYS A 69 -2.735 -14.297 -7.897 1.00 0.92 O ATOM 779 CB LYS A 69 -4.819 -12.496 -8.784 1.00 0.73 C ATOM 780 CG LYS A 69 -6.137 -12.098 -9.432 1.00 0.77 C ATOM 781 CD LYS A 69 -6.714 -13.232 -10.261 1.00 1.29 C ATOM 782 CE LYS A 69 -8.045 -12.853 -10.893 1.00 1.73 C ATOM 783 NZ LYS A 69 -7.945 -11.616 -11.710 1.00 2.41 N ATOM 0 H LYS A 69 -5.506 -11.938 -6.350 1.00 0.65 H new ATOM 0 HA LYS A 69 -5.506 -14.380 -8.010 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -4.324 -11.602 -8.406 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -4.165 -12.926 -9.543 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -6.851 -11.810 -8.660 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -5.983 -11.224 -10.066 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -6.006 -13.507 -11.043 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -6.849 -14.111 -9.630 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -8.395 -13.673 -11.520 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -8.790 -12.710 -10.110 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -8.523 -11.719 -12.568 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -8.289 -10.806 -11.156 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -6.953 -11.456 -11.978 1.00 2.41 H new ATOM 797 N ALA A 70 -3.458 -13.923 -5.804 1.00 0.67 N ATOM 798 CA ALA A 70 -2.212 -14.343 -5.178 1.00 0.71 C ATOM 799 C ALA A 70 -2.335 -15.751 -4.617 1.00 0.69 C ATOM 800 O ALA A 70 -3.349 -16.092 -4.005 1.00 0.68 O ATOM 801 CB ALA A 70 -1.822 -13.382 -4.070 1.00 0.78 C ATOM 0 H ALA A 70 -4.176 -13.616 -5.148 1.00 0.67 H new ATOM 0 HA ALA A 70 -1.435 -14.338 -5.943 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -0.889 -13.712 -3.614 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -1.690 -12.383 -4.485 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -2.607 -13.360 -3.314 1.00 0.78 H new ATOM 807 N PRO A 71 -1.313 -16.591 -4.821 1.00 0.84 N ATOM 808 CA PRO A 71 -1.304 -17.948 -4.299 1.00 0.90 C ATOM 809 C PRO A 71 -0.770 -18.019 -2.871 1.00 0.81 C ATOM 810 O PRO A 71 0.423 -17.820 -2.625 1.00 0.93 O ATOM 811 CB PRO A 71 -0.368 -18.672 -5.265 1.00 1.19 C ATOM 812 CG PRO A 71 0.601 -17.629 -5.721 1.00 1.34 C ATOM 813 CD PRO A 71 -0.092 -16.292 -5.589 1.00 1.08 C ATOM 0 HA PRO A 71 -2.303 -18.379 -4.241 1.00 0.90 H new ATOM 0 HB2 PRO A 71 0.145 -19.498 -4.773 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -0.918 -19.094 -6.106 1.00 1.19 H new ATOM 0 HG2 PRO A 71 1.508 -17.655 -5.116 1.00 1.34 H new ATOM 0 HG3 PRO A 71 0.901 -17.807 -6.754 1.00 1.34 H new ATOM 0 HD2 PRO A 71 0.536 -15.567 -5.071 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -0.329 -15.869 -6.565 1.00 1.08 H new ATOM 821 N GLY A 72 -1.664 -18.277 -1.933 1.00 0.75 N ATOM 822 CA GLY A 72 -1.257 -18.489 -0.559 1.00 0.77 C ATOM 823 C GLY A 72 -1.574 -17.305 0.329 1.00 0.63 C ATOM 824 O GLY A 72 -2.386 -16.455 -0.040 1.00 0.62 O ATOM 0 H GLY A 72 -2.668 -18.344 -2.097 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -1.756 -19.376 -0.168 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.185 -18.686 -0.527 1.00 0.77 H new ATOM 828 N PRO A 73 -0.948 -17.230 1.516 1.00 0.61 N ATOM 829 CA PRO A 73 -1.145 -16.119 2.455 1.00 0.58 C ATOM 830 C PRO A 73 -0.668 -14.796 1.872 1.00 0.48 C ATOM 831 O PRO A 73 0.424 -14.711 1.304 1.00 0.54 O ATOM 832 CB PRO A 73 -0.293 -16.506 3.671 1.00 0.71 C ATOM 833 CG PRO A 73 -0.039 -17.967 3.520 1.00 0.90 C ATOM 834 CD PRO A 73 -0.005 -18.226 2.042 1.00 0.73 C ATOM 0 HA PRO A 73 -2.198 -15.972 2.697 1.00 0.58 H new ATOM 0 HB2 PRO A 73 0.641 -15.944 3.693 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -0.816 -16.291 4.603 1.00 0.71 H new ATOM 0 HG2 PRO A 73 0.904 -18.250 3.988 1.00 0.90 H new ATOM 0 HG3 PRO A 73 -0.823 -18.552 4.001 1.00 0.90 H new ATOM 0 HD2 PRO A 73 0.996 -18.093 1.631 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -0.315 -19.243 1.802 1.00 0.73 H new ATOM 842 N VAL A 74 -1.489 -13.766 2.007 1.00 0.48 N ATOM 843 CA VAL A 74 -1.178 -12.469 1.428 1.00 0.46 C ATOM 844 C VAL A 74 -1.202 -11.378 2.492 1.00 0.44 C ATOM 845 O VAL A 74 -2.022 -11.411 3.406 1.00 0.56 O ATOM 846 CB VAL A 74 -2.183 -12.094 0.314 1.00 0.62 C ATOM 847 CG1 VAL A 74 -1.743 -10.833 -0.418 1.00 1.50 C ATOM 848 CG2 VAL A 74 -2.359 -13.243 -0.664 1.00 1.31 C ATOM 0 H VAL A 74 -2.375 -13.803 2.512 1.00 0.48 H new ATOM 0 HA VAL A 74 -0.178 -12.544 1.001 1.00 0.46 H new ATOM 0 HB VAL A 74 -3.145 -11.894 0.786 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -2.468 -10.592 -1.196 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -1.681 -10.005 0.288 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -0.765 -10.998 -0.871 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -3.070 -12.956 -1.438 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.399 -13.481 -1.123 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -2.734 -14.118 -0.133 1.00 1.31 H new ATOM 858 N LYS A 75 -0.274 -10.444 2.381 1.00 0.44 N ATOM 859 CA LYS A 75 -0.293 -9.231 3.181 1.00 0.52 C ATOM 860 C LYS A 75 -0.280 -8.041 2.240 1.00 0.42 C ATOM 861 O LYS A 75 0.555 -7.983 1.346 1.00 0.45 O ATOM 862 CB LYS A 75 0.926 -9.148 4.105 1.00 0.76 C ATOM 863 CG LYS A 75 1.060 -10.288 5.102 1.00 1.20 C ATOM 864 CD LYS A 75 2.273 -10.072 5.994 1.00 1.52 C ATOM 865 CE LYS A 75 2.478 -11.215 6.973 1.00 1.90 C ATOM 866 NZ LYS A 75 3.648 -10.973 7.859 1.00 2.58 N ATOM 0 H LYS A 75 0.513 -10.504 1.735 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.188 -9.235 3.803 1.00 0.52 H new ATOM 0 HB2 LYS A 75 1.826 -9.116 3.491 1.00 0.76 H new ATOM 0 HB3 LYS A 75 0.882 -8.208 4.655 1.00 0.76 H new ATOM 0 HG2 LYS A 75 0.159 -10.354 5.712 1.00 1.20 H new ATOM 0 HG3 LYS A 75 1.155 -11.235 4.571 1.00 1.20 H new ATOM 0 HD2 LYS A 75 3.163 -9.963 5.374 1.00 1.52 H new ATOM 0 HD3 LYS A 75 2.154 -9.140 6.546 1.00 1.52 H new ATOM 0 HE2 LYS A 75 1.581 -11.341 7.580 1.00 1.90 H new ATOM 0 HE3 LYS A 75 2.623 -12.145 6.423 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 3.758 -11.773 8.514 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 4.507 -10.878 7.281 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 3.497 -10.099 8.402 1.00 2.58 H new ATOM 880 N VAL A 76 -1.200 -7.110 2.411 1.00 0.42 N ATOM 881 CA VAL A 76 -1.236 -5.930 1.560 1.00 0.39 C ATOM 882 C VAL A 76 -1.175 -4.664 2.400 1.00 0.38 C ATOM 883 O VAL A 76 -1.937 -4.502 3.352 1.00 0.50 O ATOM 884 CB VAL A 76 -2.504 -5.884 0.681 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.438 -4.720 -0.296 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.704 -7.198 -0.062 1.00 1.16 C ATOM 0 H VAL A 76 -1.928 -7.145 3.125 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.365 -5.989 0.907 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.362 -5.735 1.337 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -3.341 -4.705 -0.906 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -2.359 -3.784 0.258 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.567 -4.835 -0.941 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.604 -7.137 -0.673 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.843 -7.389 -0.703 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.808 -8.010 0.657 1.00 1.16 H new ATOM 896 N LEU A 77 -0.261 -3.776 2.051 1.00 0.35 N ATOM 897 CA LEU A 77 -0.137 -2.502 2.734 1.00 0.41 C ATOM 898 C LEU A 77 -0.343 -1.355 1.754 1.00 0.39 C ATOM 899 O LEU A 77 0.374 -1.236 0.760 1.00 0.43 O ATOM 900 CB LEU A 77 1.230 -2.385 3.414 1.00 0.54 C ATOM 901 CG LEU A 77 1.483 -1.072 4.160 1.00 0.62 C ATOM 902 CD1 LEU A 77 0.385 -0.810 5.176 1.00 0.90 C ATOM 903 CD2 LEU A 77 2.837 -1.102 4.849 1.00 1.35 C ATOM 0 H LEU A 77 0.409 -3.916 1.295 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.908 -2.446 3.503 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.338 -3.210 4.118 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.005 -2.508 2.657 1.00 0.54 H new ATOM 0 HG LEU A 77 1.480 -0.262 3.430 1.00 0.62 H new ATOM 0 HD11 LEU A 77 0.585 0.128 5.694 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -0.576 -0.744 4.665 1.00 0.90 H new ATOM 0 HD13 LEU A 77 0.356 -1.625 5.899 1.00 0.90 H new ATOM 0 HD21 LEU A 77 2.999 -0.161 5.374 1.00 1.35 H new ATOM 0 HD22 LEU A 77 2.864 -1.925 5.563 1.00 1.35 H new ATOM 0 HD23 LEU A 77 3.621 -1.242 4.105 1.00 1.35 H new ATOM 915 N VAL A 78 -1.339 -0.531 2.032 1.00 0.37 N ATOM 916 CA VAL A 78 -1.631 0.628 1.206 1.00 0.36 C ATOM 917 C VAL A 78 -1.066 1.889 1.849 1.00 0.36 C ATOM 918 O VAL A 78 -1.457 2.263 2.957 1.00 0.38 O ATOM 919 CB VAL A 78 -3.149 0.794 0.990 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.447 2.004 0.115 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.744 -0.468 0.381 1.00 1.01 C ATOM 0 H VAL A 78 -1.964 -0.645 2.830 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.160 0.471 0.236 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.612 0.959 1.963 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.524 2.098 -0.021 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.062 2.904 0.595 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -2.968 1.878 -0.856 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.816 -0.332 0.236 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.270 -0.666 -0.580 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.573 -1.311 1.051 1.00 1.01 H new ATOM 931 N LEU A 79 -0.138 2.530 1.156 1.00 0.38 N ATOM 932 CA LEU A 79 0.501 3.735 1.661 1.00 0.40 C ATOM 933 C LEU A 79 -0.130 4.972 1.042 1.00 0.37 C ATOM 934 O LEU A 79 0.184 5.347 -0.088 1.00 0.41 O ATOM 935 CB LEU A 79 2.010 3.731 1.373 1.00 0.46 C ATOM 936 CG LEU A 79 2.854 2.736 2.182 1.00 0.58 C ATOM 937 CD1 LEU A 79 2.588 2.883 3.673 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.602 1.308 1.728 1.00 1.37 C ATOM 0 H LEU A 79 0.191 2.234 0.237 1.00 0.38 H new ATOM 0 HA LEU A 79 0.354 3.755 2.741 1.00 0.40 H new ATOM 0 HB2 LEU A 79 2.156 3.521 0.313 1.00 0.46 H new ATOM 0 HB3 LEU A 79 2.396 4.734 1.555 1.00 0.46 H new ATOM 0 HG LEU A 79 3.904 2.966 2.000 1.00 0.58 H new ATOM 0 HD11 LEU A 79 3.198 2.167 4.224 1.00 1.23 H new ATOM 0 HD12 LEU A 79 2.841 3.895 3.990 1.00 1.23 H new ATOM 0 HD13 LEU A 79 1.534 2.693 3.875 1.00 1.23 H new ATOM 0 HD21 LEU A 79 3.213 0.625 2.318 1.00 1.37 H new ATOM 0 HD22 LEU A 79 1.549 1.063 1.865 1.00 1.37 H new ATOM 0 HD23 LEU A 79 2.863 1.210 0.674 1.00 1.37 H new ATOM 950 N ILE A 80 -1.019 5.599 1.787 1.00 0.41 N ATOM 951 CA ILE A 80 -1.670 6.814 1.337 1.00 0.43 C ATOM 952 C ILE A 80 -0.777 8.010 1.637 1.00 0.41 C ATOM 953 O ILE A 80 -0.560 8.353 2.799 1.00 0.42 O ATOM 954 CB ILE A 80 -3.038 7.008 2.027 1.00 0.54 C ATOM 955 CG1 ILE A 80 -3.911 5.764 1.825 1.00 1.23 C ATOM 956 CG2 ILE A 80 -3.738 8.249 1.486 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.228 5.814 2.572 1.00 1.40 C ATOM 0 H ILE A 80 -1.309 5.284 2.713 1.00 0.41 H new ATOM 0 HA ILE A 80 -1.838 6.732 0.263 1.00 0.43 H new ATOM 0 HB ILE A 80 -2.874 7.149 3.095 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -4.112 5.641 0.761 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.354 4.884 2.148 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -4.700 8.370 1.983 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.120 9.127 1.674 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -3.896 8.139 0.413 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -5.790 4.900 2.380 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.037 5.905 3.641 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.806 6.673 2.233 1.00 1.40 H new ATOM 969 N THR A 81 -0.234 8.620 0.596 1.00 0.60 N ATOM 970 CA THR A 81 0.651 9.756 0.774 1.00 0.69 C ATOM 971 C THR A 81 -0.147 11.053 0.807 1.00 0.79 C ATOM 972 O THR A 81 -0.921 11.343 -0.110 1.00 1.20 O ATOM 973 CB THR A 81 1.705 9.823 -0.344 1.00 1.13 C ATOM 974 OG1 THR A 81 2.263 8.519 -0.555 1.00 2.07 O ATOM 975 CG2 THR A 81 2.817 10.800 0.012 1.00 1.92 C ATOM 0 H THR A 81 -0.390 8.349 -0.375 1.00 0.60 H new ATOM 0 HA THR A 81 1.167 9.627 1.726 1.00 0.69 H new ATOM 0 HB THR A 81 1.219 10.171 -1.255 1.00 1.13 H new ATOM 0 HG1 THR A 81 3.039 8.588 -1.150 1.00 2.07 H new ATOM 0 HG21 THR A 81 3.549 10.828 -0.795 1.00 1.92 H new ATOM 0 HG22 THR A 81 2.395 11.795 0.154 1.00 1.92 H new ATOM 0 HG23 THR A 81 3.304 10.477 0.932 1.00 1.92 H new ATOM 983 N GLY A 82 0.032 11.814 1.871 1.00 0.73 N ATOM 984 CA GLY A 82 -0.693 13.051 2.033 1.00 1.09 C ATOM 985 C GLY A 82 -1.943 12.855 2.859 1.00 0.92 C ATOM 986 O GLY A 82 -2.419 11.730 3.016 1.00 1.03 O ATOM 0 H GLY A 82 0.674 11.594 2.633 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -0.051 13.790 2.512 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -0.961 13.448 1.054 1.00 1.09 H new ATOM 990 N SER A 83 -2.472 13.939 3.397 1.00 1.03 N ATOM 991 CA SER A 83 -3.678 13.873 4.199 1.00 1.19 C ATOM 992 C SER A 83 -4.884 13.563 3.317 1.00 1.10 C ATOM 993 O SER A 83 -5.159 14.273 2.345 1.00 1.22 O ATOM 994 CB SER A 83 -3.866 15.189 4.955 1.00 1.61 C ATOM 995 OG SER A 83 -3.482 16.296 4.152 1.00 2.22 O ATOM 0 H SER A 83 -2.084 14.876 3.292 1.00 1.03 H new ATOM 0 HA SER A 83 -3.585 13.068 4.928 1.00 1.19 H new ATOM 0 HB2 SER A 83 -4.909 15.296 5.253 1.00 1.61 H new ATOM 0 HB3 SER A 83 -3.273 15.175 5.869 1.00 1.61 H new ATOM 0 HG SER A 83 -3.613 17.126 4.656 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.581 12.482 3.638 1.00 1.02 N ATOM 1002 CA ALA A 84 -6.729 12.058 2.858 1.00 0.95 C ATOM 1003 C ALA A 84 -7.951 12.897 3.201 1.00 0.97 C ATOM 1004 O ALA A 84 -8.353 12.984 4.366 1.00 1.13 O ATOM 1005 CB ALA A 84 -7.014 10.580 3.090 1.00 0.97 C ATOM 0 H ALA A 84 -5.369 11.883 4.436 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.499 12.204 1.803 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -7.878 10.279 2.498 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -6.146 9.991 2.792 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.222 10.411 4.147 1.00 0.97 H new ATOM 1011 N ASP A 85 -8.520 13.527 2.180 1.00 0.89 N ATOM 1012 CA ASP A 85 -9.726 14.328 2.343 1.00 0.93 C ATOM 1013 C ASP A 85 -10.876 13.458 2.825 1.00 0.81 C ATOM 1014 O ASP A 85 -10.997 12.312 2.396 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.107 15.008 1.023 1.00 1.02 C ATOM 1016 CG ASP A 85 -9.220 16.190 0.693 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -8.158 15.993 0.064 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -9.585 17.330 1.057 1.00 1.92 O ATOM 0 H ASP A 85 -8.162 13.498 1.225 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.525 15.098 3.088 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.049 14.279 0.214 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -11.143 15.342 1.078 1.00 1.02 H new ATOM 1023 N PRO A 86 -11.717 13.986 3.731 1.00 0.92 N ATOM 1024 CA PRO A 86 -12.825 13.245 4.349 1.00 0.95 C ATOM 1025 C PRO A 86 -13.573 12.321 3.387 1.00 0.85 C ATOM 1026 O PRO A 86 -13.765 11.139 3.683 1.00 0.88 O ATOM 1027 CB PRO A 86 -13.740 14.361 4.835 1.00 1.11 C ATOM 1028 CG PRO A 86 -12.808 15.462 5.201 1.00 1.30 C ATOM 1029 CD PRO A 86 -11.645 15.368 4.246 1.00 1.11 C ATOM 0 HA PRO A 86 -12.467 12.571 5.127 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -14.438 14.671 4.057 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.337 14.043 5.690 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -13.300 16.431 5.120 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -12.473 15.360 6.233 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -11.729 16.099 3.442 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -10.698 15.557 4.751 1.00 1.11 H new ATOM 1037 N ASP A 87 -13.970 12.849 2.233 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.767 12.078 1.280 1.00 0.86 C ATOM 1039 C ASP A 87 -13.973 10.891 0.730 1.00 0.74 C ATOM 1040 O ASP A 87 -14.505 9.789 0.601 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.280 12.968 0.133 1.00 1.02 C ATOM 1042 CG ASP A 87 -14.245 13.257 -0.940 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -13.376 14.130 -0.721 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -14.312 12.628 -2.021 1.00 2.21 O ATOM 0 H ASP A 87 -13.756 13.801 1.935 1.00 0.82 H new ATOM 0 HA ASP A 87 -15.632 11.688 1.816 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -16.141 12.486 -0.329 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -15.629 13.913 0.549 1.00 1.02 H new ATOM 1049 N GLU A 88 -12.696 11.108 0.443 1.00 0.68 N ATOM 1050 CA GLU A 88 -11.845 10.048 -0.081 1.00 0.67 C ATOM 1051 C GLU A 88 -11.448 9.083 1.024 1.00 0.55 C ATOM 1052 O GLU A 88 -11.331 7.879 0.799 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.595 10.630 -0.740 1.00 0.80 C ATOM 1054 CG GLU A 88 -10.897 11.464 -1.969 1.00 1.02 C ATOM 1055 CD GLU A 88 -9.649 11.857 -2.726 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -9.274 13.046 -2.688 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -9.035 10.975 -3.363 1.00 2.32 O ATOM 0 H GLU A 88 -12.228 12.006 0.564 1.00 0.68 H new ATOM 0 HA GLU A 88 -12.414 9.504 -0.835 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -10.063 11.245 -0.014 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -9.927 9.815 -1.018 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -11.557 10.903 -2.631 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -11.434 12.364 -1.670 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.252 9.622 2.218 1.00 0.57 N ATOM 1065 CA LYS A 89 -10.886 8.818 3.370 1.00 0.62 C ATOM 1066 C LYS A 89 -12.035 7.880 3.726 1.00 0.59 C ATOM 1067 O LYS A 89 -11.813 6.736 4.107 1.00 0.64 O ATOM 1068 CB LYS A 89 -10.530 9.731 4.552 1.00 0.77 C ATOM 1069 CG LYS A 89 -9.678 9.069 5.635 1.00 1.34 C ATOM 1070 CD LYS A 89 -10.484 8.154 6.548 1.00 1.77 C ATOM 1071 CE LYS A 89 -11.485 8.931 7.390 1.00 2.39 C ATOM 1072 NZ LYS A 89 -10.822 9.947 8.250 1.00 2.81 N ATOM 0 H LYS A 89 -11.341 10.619 2.413 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.010 8.214 3.133 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -9.998 10.603 4.173 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -11.453 10.093 5.005 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -8.882 8.493 5.162 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -9.198 9.842 6.236 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -11.012 7.415 5.946 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -9.806 7.606 7.203 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -12.204 9.424 6.735 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -12.047 8.238 8.016 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -11.493 10.284 8.969 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -9.998 9.520 8.719 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -10.511 10.748 7.664 1.00 2.81 H new ATOM 1086 N THR A 90 -13.260 8.364 3.574 1.00 0.62 N ATOM 1087 CA THR A 90 -14.437 7.552 3.839 1.00 0.69 C ATOM 1088 C THR A 90 -14.549 6.406 2.832 1.00 0.62 C ATOM 1089 O THR A 90 -14.833 5.267 3.206 1.00 0.69 O ATOM 1090 CB THR A 90 -15.721 8.402 3.811 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.602 9.486 4.743 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.939 7.561 4.163 1.00 1.17 C ATOM 0 H THR A 90 -13.463 9.316 3.268 1.00 0.62 H new ATOM 0 HA THR A 90 -14.323 7.132 4.838 1.00 0.69 H new ATOM 0 HB THR A 90 -15.851 8.794 2.802 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.192 10.257 4.298 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.832 8.185 4.136 1.00 1.17 H new ATOM 0 HG22 THR A 90 -17.041 6.750 3.442 1.00 1.17 H new ATOM 0 HG23 THR A 90 -16.817 7.145 5.163 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.301 6.703 1.556 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.330 5.672 0.521 1.00 0.64 C ATOM 1102 C LYS A 91 -13.231 4.648 0.772 1.00 0.63 C ATOM 1103 O LYS A 91 -13.427 3.447 0.590 1.00 0.73 O ATOM 1104 CB LYS A 91 -14.154 6.280 -0.876 1.00 0.73 C ATOM 1105 CG LYS A 91 -15.186 7.340 -1.227 1.00 1.06 C ATOM 1106 CD LYS A 91 -15.216 7.625 -2.724 1.00 1.51 C ATOM 1107 CE LYS A 91 -13.839 7.980 -3.267 1.00 1.83 C ATOM 1108 NZ LYS A 91 -13.879 8.280 -4.724 1.00 2.41 N ATOM 0 H LYS A 91 -14.080 7.640 1.218 1.00 0.57 H new ATOM 0 HA LYS A 91 -15.303 5.184 0.564 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -13.159 6.720 -0.946 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -14.203 5.482 -1.617 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -16.172 7.010 -0.900 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -14.962 8.259 -0.686 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -15.599 6.751 -3.251 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -15.906 8.445 -2.923 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -13.448 8.843 -2.729 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -13.152 7.153 -3.085 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -12.922 8.517 -5.056 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -14.228 7.448 -5.240 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -14.514 9.085 -4.895 1.00 2.41 H new ATOM 1122 N ALA A 92 -12.079 5.136 1.215 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.952 4.274 1.518 1.00 0.67 C ATOM 1124 C ALA A 92 -11.253 3.442 2.753 1.00 0.68 C ATOM 1125 O ALA A 92 -10.911 2.266 2.819 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.693 5.103 1.724 1.00 0.74 C ATOM 0 H ALA A 92 -11.904 6.129 1.372 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.784 3.601 0.677 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.856 4.443 1.951 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.476 5.666 0.816 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.844 5.795 2.553 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.913 4.063 3.718 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.310 3.387 4.942 1.00 0.71 C ATOM 1134 C LYS A 93 -13.243 2.225 4.622 1.00 0.70 C ATOM 1135 O LYS A 93 -13.085 1.121 5.147 1.00 0.79 O ATOM 1136 CB LYS A 93 -13.001 4.378 5.885 1.00 0.80 C ATOM 1137 CG LYS A 93 -13.351 3.799 7.245 1.00 1.09 C ATOM 1138 CD LYS A 93 -12.105 3.441 8.038 1.00 1.56 C ATOM 1139 CE LYS A 93 -12.456 2.912 9.416 1.00 2.00 C ATOM 1140 NZ LYS A 93 -11.242 2.582 10.206 1.00 2.44 N ATOM 0 H LYS A 93 -12.187 5.045 3.675 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.420 2.994 5.434 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -12.352 5.242 6.026 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -13.913 4.739 5.410 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -13.945 4.520 7.806 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -13.968 2.910 7.115 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -11.530 2.691 7.495 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -11.469 4.321 8.136 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -13.047 3.655 9.951 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -13.078 2.022 9.316 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -11.523 2.224 11.141 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -10.691 1.854 9.708 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -10.661 3.437 10.323 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.205 2.485 3.745 1.00 0.66 N ATOM 1155 CA LYS A 94 -15.150 1.466 3.310 1.00 0.71 C ATOM 1156 C LYS A 94 -14.434 0.312 2.622 1.00 0.67 C ATOM 1157 O LYS A 94 -14.648 -0.854 2.963 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.182 2.072 2.359 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.150 3.025 3.035 1.00 1.36 C ATOM 1160 CD LYS A 94 -18.114 3.633 2.032 1.00 1.79 C ATOM 1161 CE LYS A 94 -19.216 4.418 2.723 1.00 2.57 C ATOM 1162 NZ LYS A 94 -20.058 3.547 3.586 1.00 2.85 N ATOM 0 H LYS A 94 -14.351 3.400 3.319 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.657 1.080 4.195 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -15.661 2.602 1.562 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -16.747 1.267 1.890 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -17.710 2.493 3.805 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -16.594 3.818 3.535 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -17.569 4.289 1.354 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -18.555 2.843 1.425 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -18.774 5.210 3.328 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -19.843 4.901 1.973 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -20.970 4.014 3.765 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -20.222 2.638 3.107 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -19.571 3.379 4.490 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.584 0.644 1.658 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.852 -0.361 0.903 1.00 0.60 C ATOM 1178 C ALA A 95 -11.904 -1.151 1.804 1.00 0.57 C ATOM 1179 O ALA A 95 -11.829 -2.374 1.711 1.00 0.57 O ATOM 1180 CB ALA A 95 -12.087 0.296 -0.238 1.00 0.63 C ATOM 0 H ALA A 95 -13.385 1.605 1.381 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.572 -1.065 0.485 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.542 -0.465 -0.797 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.788 0.802 -0.902 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.382 1.022 0.167 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.198 -0.447 2.685 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.244 -1.080 3.591 1.00 0.58 C ATOM 1188 C ALA A 96 -10.932 -2.067 4.521 1.00 0.56 C ATOM 1189 O ALA A 96 -10.393 -3.130 4.819 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.506 -0.028 4.406 1.00 0.64 C ATOM 0 H ALA A 96 -11.269 0.565 2.791 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.526 -1.630 2.982 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.799 -0.517 5.076 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -8.967 0.640 3.735 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.223 0.547 4.992 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.131 -1.714 4.966 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.887 -2.566 5.870 1.00 0.63 C ATOM 1198 C GLU A 97 -13.264 -3.877 5.183 1.00 0.55 C ATOM 1199 O GLU A 97 -13.244 -4.942 5.800 1.00 0.58 O ATOM 1200 CB GLU A 97 -14.133 -1.830 6.360 1.00 0.80 C ATOM 1201 CG GLU A 97 -14.917 -2.589 7.416 1.00 1.46 C ATOM 1202 CD GLU A 97 -15.999 -1.743 8.044 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -17.118 -1.697 7.499 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -15.734 -1.117 9.094 1.00 2.39 O ATOM 0 H GLU A 97 -12.599 -0.843 4.715 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.264 -2.806 6.732 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -13.836 -0.863 6.766 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.785 -1.632 5.509 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -15.366 -3.474 6.966 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -14.235 -2.937 8.192 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.580 -3.796 3.897 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.911 -4.983 3.116 1.00 0.57 C ATOM 1213 C GLU A 98 -12.646 -5.736 2.728 1.00 0.52 C ATOM 1214 O GLU A 98 -12.686 -6.922 2.414 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.682 -4.604 1.851 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.991 -3.883 2.120 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.896 -4.652 3.057 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.284 -5.790 2.722 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -17.233 -4.119 4.137 1.00 2.66 O ATOM 0 H GLU A 98 -13.614 -2.922 3.372 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.538 -5.625 3.735 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -14.050 -3.970 1.229 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -14.888 -5.508 1.278 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -15.781 -2.903 2.547 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -16.510 -3.715 1.176 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.524 -5.039 2.762 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.254 -5.604 2.343 1.00 0.49 C ATOM 1228 C ALA A 99 -9.531 -6.281 3.499 1.00 0.46 C ATOM 1229 O ALA A 99 -8.613 -7.074 3.290 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.382 -4.517 1.740 1.00 0.58 C ATOM 0 H ALA A 99 -11.467 -4.071 3.079 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.456 -6.367 1.591 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.430 -4.946 1.427 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -9.886 -4.084 0.876 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.203 -3.740 2.483 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.965 -5.978 4.717 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.321 -6.489 5.924 1.00 0.53 C ATOM 1238 C ARG A 100 -9.303 -8.020 5.949 1.00 0.51 C ATOM 1239 O ARG A 100 -8.426 -8.629 6.566 1.00 0.56 O ATOM 1240 CB ARG A 100 -10.035 -5.945 7.166 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.349 -6.310 8.470 1.00 1.22 C ATOM 1242 CD ARG A 100 -10.050 -5.691 9.666 1.00 1.52 C ATOM 1243 NE ARG A 100 -9.395 -6.059 10.919 1.00 2.17 N ATOM 1244 CZ ARG A 100 -9.762 -5.616 12.119 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -10.794 -4.791 12.246 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -9.092 -6.003 13.197 1.00 3.77 N ATOM 0 H ARG A 100 -10.768 -5.375 4.897 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.286 -6.148 5.924 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -10.100 -4.860 7.091 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -11.056 -6.325 7.184 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -9.330 -7.394 8.580 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -8.312 -5.975 8.442 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -10.058 -4.606 9.563 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -11.090 -6.017 9.688 1.00 1.52 H new ATOM 0 HE ARG A 100 -8.602 -6.699 10.871 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -11.312 -4.492 11.420 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -11.069 -4.456 13.170 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -8.299 -6.638 13.104 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -9.370 -5.666 14.119 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.260 -8.631 5.256 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.367 -10.087 5.190 1.00 0.58 C ATOM 1262 C LYS A 101 -9.132 -10.716 4.546 1.00 0.63 C ATOM 1263 O LYS A 101 -8.813 -11.872 4.807 1.00 0.81 O ATOM 1264 CB LYS A 101 -11.630 -10.489 4.417 1.00 0.74 C ATOM 1265 CG LYS A 101 -11.683 -9.951 2.995 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.044 -10.192 2.356 1.00 1.81 C ATOM 1267 CE LYS A 101 -13.114 -9.611 0.952 1.00 2.63 C ATOM 1268 NZ LYS A 101 -14.493 -9.654 0.395 1.00 3.24 N ATOM 0 H LYS A 101 -10.979 -8.136 4.728 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.435 -10.462 6.211 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -11.693 -11.577 4.386 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.505 -10.134 4.962 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -11.467 -8.883 3.001 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -10.909 -10.429 2.395 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -13.244 -11.263 2.318 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -13.822 -9.744 2.975 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -12.763 -8.579 0.970 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -12.442 -10.165 0.297 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -14.493 -9.248 -0.563 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -14.820 -10.640 0.353 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -15.131 -9.103 1.005 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.433 -9.952 3.712 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.248 -10.463 3.032 1.00 0.71 C ATOM 1284 C TRP A 102 -5.992 -9.747 3.507 1.00 0.64 C ATOM 1285 O TRP A 102 -5.038 -9.578 2.748 1.00 0.73 O ATOM 1286 CB TRP A 102 -7.392 -10.333 1.515 1.00 0.84 C ATOM 1287 CG TRP A 102 -8.452 -11.224 0.941 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -8.880 -12.419 1.444 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -9.204 -11.000 -0.256 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -9.860 -12.944 0.640 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -10.074 -12.096 -0.412 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -9.229 -9.982 -1.209 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -10.960 -12.197 -1.480 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -10.106 -10.085 -2.270 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -10.959 -11.184 -2.400 1.00 2.21 C ATOM 0 H TRP A 102 -8.665 -8.983 3.492 1.00 0.57 H new ATOM 0 HA TRP A 102 -7.153 -11.520 3.281 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -7.624 -9.297 1.267 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -6.437 -10.567 1.045 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -8.502 -12.883 2.343 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -10.350 -13.824 0.801 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -8.574 -9.128 -1.118 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -11.624 -13.043 -1.579 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -10.133 -9.302 -3.013 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -11.631 -11.235 -3.244 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.008 -9.327 4.771 1.00 0.56 N ATOM 1307 CA ASN A 103 -4.845 -8.708 5.411 1.00 0.64 C ATOM 1308 C ASN A 103 -4.408 -7.440 4.681 1.00 0.56 C ATOM 1309 O ASN A 103 -3.213 -7.194 4.503 1.00 0.70 O ATOM 1310 CB ASN A 103 -3.667 -9.689 5.492 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.975 -10.917 6.328 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -3.800 -10.913 7.547 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -4.405 -11.989 5.677 1.00 2.00 N ATOM 0 H ASN A 103 -6.823 -9.405 5.379 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.149 -8.437 6.422 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -3.392 -10.002 4.485 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -2.803 -9.176 5.914 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -4.603 -12.850 6.187 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -4.538 -11.953 4.666 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.376 -6.640 4.258 1.00 0.46 N ATOM 1321 CA VAL A 104 -5.082 -5.366 3.621 1.00 0.45 C ATOM 1322 C VAL A 104 -5.158 -4.241 4.647 1.00 0.48 C ATOM 1323 O VAL A 104 -6.222 -3.966 5.200 1.00 0.63 O ATOM 1324 CB VAL A 104 -6.054 -5.067 2.459 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.672 -3.772 1.756 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -6.093 -6.227 1.473 1.00 0.99 C ATOM 0 H VAL A 104 -6.370 -6.851 4.344 1.00 0.46 H new ATOM 0 HA VAL A 104 -4.074 -5.430 3.211 1.00 0.45 H new ATOM 0 HB VAL A 104 -7.054 -4.945 2.876 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -6.370 -3.581 0.941 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.710 -2.947 2.467 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.662 -3.860 1.356 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.784 -5.993 0.663 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -5.096 -6.390 1.063 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.426 -7.129 1.986 1.00 0.99 H new ATOM 1336 N ARG A 105 -4.021 -3.614 4.913 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.954 -2.531 5.885 1.00 0.48 C ATOM 1338 C ARG A 105 -3.669 -1.208 5.189 1.00 0.44 C ATOM 1339 O ARG A 105 -2.940 -1.164 4.198 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.876 -2.796 6.946 1.00 0.59 C ATOM 1341 CG ARG A 105 -3.221 -3.911 7.926 1.00 1.28 C ATOM 1342 CD ARG A 105 -3.082 -5.287 7.294 1.00 1.72 C ATOM 1343 NE ARG A 105 -3.634 -6.343 8.141 1.00 2.38 N ATOM 1344 CZ ARG A 105 -2.991 -7.468 8.452 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -1.722 -7.638 8.099 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -3.612 -8.417 9.139 1.00 4.06 N ATOM 0 H ARG A 105 -3.130 -3.837 4.469 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.922 -2.477 6.383 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -1.942 -3.046 6.443 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -2.700 -1.877 7.506 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -2.568 -3.844 8.796 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -4.242 -3.777 8.283 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -3.590 -5.295 6.330 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -2.029 -5.492 7.101 1.00 1.72 H new ATOM 0 HE ARG A 105 -4.572 -6.210 8.518 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -1.233 -6.905 7.586 1.00 3.33 H new ATOM 0 HH12 ARG A 105 -1.237 -8.502 8.341 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -4.581 -8.286 9.429 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -3.121 -9.278 9.377 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.243 -0.137 5.710 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.032 1.190 5.153 1.00 0.48 C ATOM 1362 C VAL A 106 -3.265 2.067 6.134 1.00 0.50 C ATOM 1363 O VAL A 106 -3.549 2.070 7.335 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.366 1.878 4.778 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -6.043 1.139 3.636 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.299 1.964 5.980 1.00 1.58 C ATOM 0 H VAL A 106 -4.861 -0.160 6.521 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.447 1.064 4.242 1.00 0.48 H new ATOM 0 HB VAL A 106 -5.139 2.894 4.454 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.980 1.637 3.385 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -5.388 1.138 2.765 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -6.247 0.112 3.938 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -7.228 2.452 5.685 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.516 0.960 6.344 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -5.821 2.541 6.771 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.274 2.784 5.629 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.493 3.699 6.449 1.00 0.58 C ATOM 1378 C ARG A 107 -1.259 5.000 5.698 1.00 0.49 C ATOM 1379 O ARG A 107 -1.244 5.020 4.467 1.00 0.48 O ATOM 1380 CB ARG A 107 -0.157 3.065 6.853 1.00 0.74 C ATOM 1381 CG ARG A 107 -0.323 1.824 7.715 1.00 1.02 C ATOM 1382 CD ARG A 107 1.011 1.255 8.163 1.00 0.90 C ATOM 1383 NE ARG A 107 0.838 0.003 8.898 1.00 1.58 N ATOM 1384 CZ ARG A 107 1.825 -0.653 9.502 1.00 2.15 C ATOM 1385 NH1 ARG A 107 3.058 -0.169 9.488 1.00 2.26 N ATOM 1386 NH2 ARG A 107 1.585 -1.796 10.129 1.00 3.00 N ATOM 0 H ARG A 107 -1.990 2.750 4.650 1.00 0.46 H new ATOM 0 HA ARG A 107 -2.054 3.913 7.359 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.401 2.804 5.954 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.438 3.800 7.395 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -0.924 2.070 8.591 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -0.870 1.065 7.155 1.00 1.02 H new ATOM 0 HD2 ARG A 107 1.645 1.083 7.293 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.524 1.981 8.794 1.00 0.90 H new ATOM 0 HE ARG A 107 -0.100 -0.393 8.951 1.00 1.58 H new ATOM 0 HH11 ARG A 107 3.255 0.711 9.012 1.00 2.26 H new ATOM 0 HH12 ARG A 107 3.811 -0.677 9.953 1.00 2.26 H new ATOM 0 HH21 ARG A 107 0.639 -2.177 10.150 1.00 3.00 H new ATOM 0 HH22 ARG A 107 2.346 -2.294 10.590 1.00 3.00 H new ATOM 1400 N THR A 108 -1.085 6.079 6.437 1.00 0.56 N ATOM 1401 CA THR A 108 -0.940 7.393 5.845 1.00 0.51 C ATOM 1402 C THR A 108 0.458 7.948 6.093 1.00 0.52 C ATOM 1403 O THR A 108 0.946 7.958 7.225 1.00 0.66 O ATOM 1404 CB THR A 108 -1.999 8.359 6.410 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.304 7.793 6.221 1.00 0.86 O ATOM 1406 CG2 THR A 108 -1.932 9.718 5.729 1.00 0.68 C ATOM 0 H THR A 108 -1.041 6.069 7.456 1.00 0.56 H new ATOM 0 HA THR A 108 -1.089 7.297 4.769 1.00 0.51 H new ATOM 0 HB THR A 108 -1.799 8.503 7.472 1.00 0.59 H new ATOM 0 HG1 THR A 108 -3.981 8.404 6.581 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.693 10.375 6.152 1.00 0.68 H new ATOM 0 HG22 THR A 108 -0.946 10.156 5.887 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.109 9.598 4.660 1.00 0.68 H new ATOM 1414 N VAL A 109 1.104 8.390 5.027 1.00 0.47 N ATOM 1415 CA VAL A 109 2.442 8.946 5.119 1.00 0.55 C ATOM 1416 C VAL A 109 2.456 10.370 4.586 1.00 0.57 C ATOM 1417 O VAL A 109 1.726 10.700 3.655 1.00 0.62 O ATOM 1418 CB VAL A 109 3.473 8.091 4.345 1.00 0.67 C ATOM 1419 CG1 VAL A 109 3.547 6.691 4.929 1.00 1.51 C ATOM 1420 CG2 VAL A 109 3.136 8.026 2.863 1.00 1.05 C ATOM 0 H VAL A 109 0.720 8.374 4.082 1.00 0.47 H new ATOM 0 HA VAL A 109 2.725 8.945 6.172 1.00 0.55 H new ATOM 0 HB VAL A 109 4.447 8.569 4.449 1.00 0.67 H new ATOM 0 HG11 VAL A 109 4.277 6.103 4.373 1.00 1.51 H new ATOM 0 HG12 VAL A 109 3.848 6.749 5.975 1.00 1.51 H new ATOM 0 HG13 VAL A 109 2.569 6.215 4.859 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.879 7.418 2.347 1.00 1.05 H new ATOM 0 HG22 VAL A 109 2.150 7.581 2.733 1.00 1.05 H new ATOM 0 HG23 VAL A 109 3.137 9.033 2.445 1.00 1.05 H new ATOM 1430 N THR A 110 3.265 11.216 5.192 1.00 0.70 N ATOM 1431 CA THR A 110 3.367 12.602 4.770 1.00 0.84 C ATOM 1432 C THR A 110 4.736 12.880 4.158 1.00 0.84 C ATOM 1433 O THR A 110 4.955 13.910 3.520 1.00 0.97 O ATOM 1434 CB THR A 110 3.112 13.556 5.954 1.00 1.02 C ATOM 1435 OG1 THR A 110 3.811 13.093 7.121 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.624 13.653 6.257 1.00 1.45 C ATOM 0 H THR A 110 3.863 10.969 5.980 1.00 0.70 H new ATOM 0 HA THR A 110 2.604 12.779 4.012 1.00 0.84 H new ATOM 0 HB THR A 110 3.480 14.545 5.680 1.00 1.02 H new ATOM 0 HG1 THR A 110 4.606 12.589 6.848 1.00 1.55 H new ATOM 0 HG21 THR A 110 1.467 14.331 7.096 1.00 1.45 H new ATOM 0 HG22 THR A 110 1.098 14.032 5.381 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.239 12.665 6.512 1.00 1.45 H new ATOM 1444 N SER A 111 5.657 11.953 4.371 1.00 0.79 N ATOM 1445 CA SER A 111 6.999 12.048 3.829 1.00 0.85 C ATOM 1446 C SER A 111 7.549 10.642 3.584 1.00 0.76 C ATOM 1447 O SER A 111 7.046 9.669 4.152 1.00 0.69 O ATOM 1448 CB SER A 111 7.890 12.825 4.803 1.00 0.96 C ATOM 1449 OG SER A 111 7.358 14.119 5.043 1.00 1.52 O ATOM 0 H SER A 111 5.492 11.113 4.926 1.00 0.79 H new ATOM 0 HA SER A 111 6.981 12.582 2.879 1.00 0.85 H new ATOM 0 HB2 SER A 111 7.972 12.280 5.743 1.00 0.96 H new ATOM 0 HB3 SER A 111 8.897 12.910 4.395 1.00 0.96 H new ATOM 0 HG SER A 111 7.939 14.601 5.668 1.00 1.52 H new ATOM 1455 N PRO A 112 8.567 10.512 2.712 1.00 0.82 N ATOM 1456 CA PRO A 112 9.175 9.215 2.378 1.00 0.80 C ATOM 1457 C PRO A 112 9.724 8.474 3.596 1.00 0.70 C ATOM 1458 O PRO A 112 9.860 7.251 3.572 1.00 0.74 O ATOM 1459 CB PRO A 112 10.316 9.578 1.418 1.00 0.95 C ATOM 1460 CG PRO A 112 10.529 11.042 1.590 1.00 1.05 C ATOM 1461 CD PRO A 112 9.189 11.608 1.952 1.00 0.97 C ATOM 0 HA PRO A 112 8.436 8.537 1.951 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.221 9.019 1.655 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.054 9.338 0.388 1.00 0.95 H new ATOM 0 HG2 PRO A 112 11.262 11.242 2.371 1.00 1.05 H new ATOM 0 HG3 PRO A 112 10.909 11.493 0.673 1.00 1.05 H new ATOM 0 HD2 PRO A 112 9.281 12.514 2.551 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.607 11.868 1.068 1.00 0.97 H new ATOM 1469 N ASP A 113 10.027 9.213 4.657 1.00 0.67 N ATOM 1470 CA ASP A 113 10.584 8.621 5.870 1.00 0.66 C ATOM 1471 C ASP A 113 9.610 7.631 6.509 1.00 0.59 C ATOM 1472 O ASP A 113 9.977 6.487 6.790 1.00 0.63 O ATOM 1473 CB ASP A 113 10.966 9.707 6.874 1.00 0.74 C ATOM 1474 CG ASP A 113 11.472 9.133 8.183 1.00 1.73 C ATOM 1475 OD1 ASP A 113 12.537 8.481 8.181 1.00 2.48 O ATOM 1476 OD2 ASP A 113 10.814 9.342 9.223 1.00 2.44 O ATOM 0 H ASP A 113 9.897 10.224 4.703 1.00 0.67 H new ATOM 0 HA ASP A 113 11.482 8.073 5.584 1.00 0.66 H new ATOM 0 HB2 ASP A 113 11.735 10.345 6.439 1.00 0.74 H new ATOM 0 HB3 ASP A 113 10.099 10.339 7.069 1.00 0.74 H new ATOM 1481 N GLU A 114 8.369 8.063 6.731 1.00 0.57 N ATOM 1482 CA GLU A 114 7.358 7.185 7.317 1.00 0.60 C ATOM 1483 C GLU A 114 7.139 5.967 6.431 1.00 0.52 C ATOM 1484 O GLU A 114 7.096 4.836 6.915 1.00 0.52 O ATOM 1485 CB GLU A 114 6.017 7.902 7.513 1.00 0.73 C ATOM 1486 CG GLU A 114 6.102 9.205 8.286 1.00 1.18 C ATOM 1487 CD GLU A 114 6.330 10.392 7.381 1.00 1.99 C ATOM 1488 OE1 GLU A 114 5.335 10.965 6.889 1.00 2.63 O ATOM 1489 OE2 GLU A 114 7.499 10.762 7.156 1.00 2.70 O ATOM 0 H GLU A 114 8.042 9.005 6.517 1.00 0.57 H new ATOM 0 HA GLU A 114 7.731 6.879 8.294 1.00 0.60 H new ATOM 0 HB2 GLU A 114 5.582 8.104 6.534 1.00 0.73 H new ATOM 0 HB3 GLU A 114 5.334 7.230 8.033 1.00 0.73 H new ATOM 0 HG2 GLU A 114 5.181 9.352 8.850 1.00 1.18 H new ATOM 0 HG3 GLU A 114 6.913 9.143 9.012 1.00 1.18 H new ATOM 1496 N ALA A 115 7.013 6.212 5.130 1.00 0.55 N ATOM 1497 CA ALA A 115 6.792 5.144 4.161 1.00 0.58 C ATOM 1498 C ALA A 115 7.904 4.108 4.236 1.00 0.51 C ATOM 1499 O ALA A 115 7.641 2.908 4.285 1.00 0.51 O ATOM 1500 CB ALA A 115 6.694 5.718 2.755 1.00 0.70 C ATOM 0 H ALA A 115 7.061 7.145 4.721 1.00 0.55 H new ATOM 0 HA ALA A 115 5.851 4.651 4.403 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.529 4.910 2.043 1.00 0.70 H new ATOM 0 HB2 ALA A 115 5.862 6.420 2.706 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.621 6.236 2.508 1.00 0.70 H new ATOM 1506 N LYS A 116 9.139 4.588 4.273 1.00 0.51 N ATOM 1507 CA LYS A 116 10.308 3.723 4.342 1.00 0.51 C ATOM 1508 C LYS A 116 10.266 2.851 5.597 1.00 0.44 C ATOM 1509 O LYS A 116 10.633 1.676 5.562 1.00 0.49 O ATOM 1510 CB LYS A 116 11.578 4.579 4.321 1.00 0.64 C ATOM 1511 CG LYS A 116 12.867 3.785 4.210 1.00 1.38 C ATOM 1512 CD LYS A 116 14.060 4.709 4.035 1.00 1.43 C ATOM 1513 CE LYS A 116 15.363 3.937 3.909 1.00 1.80 C ATOM 1514 NZ LYS A 116 15.708 3.216 5.161 1.00 2.33 N ATOM 0 H LYS A 116 9.358 5.584 4.256 1.00 0.51 H new ATOM 0 HA LYS A 116 10.309 3.060 3.477 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.520 5.273 3.483 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.612 5.179 5.230 1.00 0.64 H new ATOM 0 HG2 LYS A 116 13.002 3.176 5.104 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.805 3.100 3.364 1.00 1.38 H new ATOM 0 HD2 LYS A 116 13.915 5.324 3.147 1.00 1.43 H new ATOM 0 HD3 LYS A 116 14.121 5.388 4.886 1.00 1.43 H new ATOM 0 HE2 LYS A 116 15.283 3.222 3.090 1.00 1.80 H new ATOM 0 HE3 LYS A 116 16.169 4.625 3.654 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 16.664 2.816 5.079 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 15.677 3.878 5.963 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 15.024 2.449 5.319 1.00 2.33 H new ATOM 1528 N ARG A 117 9.795 3.425 6.699 1.00 0.42 N ATOM 1529 CA ARG A 117 9.674 2.685 7.949 1.00 0.44 C ATOM 1530 C ARG A 117 8.561 1.645 7.861 1.00 0.43 C ATOM 1531 O ARG A 117 8.749 0.490 8.249 1.00 0.50 O ATOM 1532 CB ARG A 117 9.417 3.633 9.125 1.00 0.57 C ATOM 1533 CG ARG A 117 9.024 2.912 10.408 1.00 0.90 C ATOM 1534 CD ARG A 117 8.960 3.856 11.597 1.00 1.39 C ATOM 1535 NE ARG A 117 10.289 4.187 12.109 1.00 1.99 N ATOM 1536 CZ ARG A 117 10.504 4.838 13.252 1.00 2.83 C ATOM 1537 NH1 ARG A 117 9.479 5.313 13.951 1.00 3.30 N ATOM 1538 NH2 ARG A 117 11.745 5.026 13.686 1.00 3.61 N ATOM 0 H ARG A 117 9.492 4.397 6.752 1.00 0.42 H new ATOM 0 HA ARG A 117 10.619 2.169 8.120 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.315 4.223 9.309 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.626 4.332 8.853 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.054 2.434 10.272 1.00 0.90 H new ATOM 0 HG3 ARG A 117 9.744 2.119 10.613 1.00 0.90 H new ATOM 0 HD2 ARG A 117 8.446 4.772 11.305 1.00 1.39 H new ATOM 0 HD3 ARG A 117 8.370 3.399 12.391 1.00 1.39 H new ATOM 0 HE ARG A 117 11.100 3.903 11.559 1.00 1.99 H new ATOM 0 HH11 ARG A 117 8.526 5.180 13.613 1.00 3.30 H new ATOM 0 HH12 ARG A 117 9.645 5.811 14.826 1.00 3.30 H new ATOM 0 HH21 ARG A 117 12.534 4.672 13.145 1.00 3.61 H new ATOM 0 HH22 ARG A 117 11.909 5.524 14.561 1.00 3.61 H new ATOM 1552 N TRP A 118 7.406 2.051 7.341 1.00 0.43 N ATOM 1553 CA TRP A 118 6.263 1.150 7.249 1.00 0.51 C ATOM 1554 C TRP A 118 6.567 -0.026 6.329 1.00 0.51 C ATOM 1555 O TRP A 118 6.183 -1.156 6.622 1.00 0.60 O ATOM 1556 CB TRP A 118 5.006 1.879 6.761 1.00 0.59 C ATOM 1557 CG TRP A 118 4.566 3.028 7.628 1.00 0.89 C ATOM 1558 CD1 TRP A 118 4.009 4.193 7.190 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.636 3.135 9.065 1.00 1.69 C ATOM 1560 NE1 TRP A 118 3.730 5.016 8.250 1.00 1.51 N ATOM 1561 CE2 TRP A 118 4.103 4.394 9.409 1.00 2.00 C ATOM 1562 CE3 TRP A 118 5.092 2.298 10.093 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 4.016 4.831 10.728 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 5.004 2.737 11.400 1.00 3.18 C ATOM 1565 CH2 TRP A 118 4.470 3.993 11.707 1.00 3.39 C ATOM 0 H TRP A 118 7.238 2.990 6.980 1.00 0.43 H new ATOM 0 HA TRP A 118 6.072 0.774 8.254 1.00 0.51 H new ATOM 0 HB2 TRP A 118 5.188 2.252 5.753 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.190 1.160 6.693 1.00 0.59 H new ATOM 0 HD1 TRP A 118 3.815 4.433 6.155 1.00 0.98 H new ATOM 0 HE1 TRP A 118 3.311 5.944 8.185 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.505 1.326 9.867 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 3.604 5.800 10.969 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 5.354 2.099 12.199 1.00 3.18 H new ATOM 0 HH2 TRP A 118 4.415 4.307 12.739 1.00 3.39 H new ATOM 1576 N ILE A 119 7.259 0.241 5.225 1.00 0.48 N ATOM 1577 CA ILE A 119 7.641 -0.817 4.294 1.00 0.54 C ATOM 1578 C ILE A 119 8.601 -1.795 4.964 1.00 0.53 C ATOM 1579 O ILE A 119 8.476 -3.007 4.801 1.00 0.58 O ATOM 1580 CB ILE A 119 8.287 -0.249 3.007 1.00 0.60 C ATOM 1581 CG1 ILE A 119 7.275 0.610 2.244 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.803 -1.378 2.118 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.841 1.266 1.001 1.00 0.81 C ATOM 0 H ILE A 119 7.565 1.175 4.954 1.00 0.48 H new ATOM 0 HA ILE A 119 6.729 -1.341 4.009 1.00 0.54 H new ATOM 0 HB ILE A 119 9.134 0.375 3.292 1.00 0.60 H new ATOM 0 HG12 ILE A 119 6.426 -0.012 1.960 1.00 0.67 H new ATOM 0 HG13 ILE A 119 6.895 1.384 2.910 1.00 0.67 H new ATOM 0 HG21 ILE A 119 9.253 -0.957 1.219 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.550 -1.956 2.661 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.974 -2.028 1.838 1.00 0.69 H new ATOM 0 HD11 ILE A 119 7.064 1.857 0.516 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.671 1.916 1.278 1.00 0.81 H new ATOM 0 HD13 ILE A 119 8.195 0.498 0.313 1.00 0.81 H new ATOM 1595 N LYS A 120 9.537 -1.262 5.744 1.00 0.52 N ATOM 1596 CA LYS A 120 10.517 -2.090 6.439 1.00 0.57 C ATOM 1597 C LYS A 120 9.838 -2.978 7.482 1.00 0.56 C ATOM 1598 O LYS A 120 10.186 -4.150 7.640 1.00 0.61 O ATOM 1599 CB LYS A 120 11.581 -1.215 7.108 1.00 0.66 C ATOM 1600 CG LYS A 120 12.696 -2.009 7.771 1.00 1.08 C ATOM 1601 CD LYS A 120 13.449 -2.861 6.762 1.00 1.68 C ATOM 1602 CE LYS A 120 14.509 -3.717 7.433 1.00 2.25 C ATOM 1603 NZ LYS A 120 15.539 -2.894 8.117 1.00 2.76 N ATOM 0 H LYS A 120 9.637 -0.261 5.910 1.00 0.52 H new ATOM 0 HA LYS A 120 11.000 -2.731 5.701 1.00 0.57 H new ATOM 0 HB2 LYS A 120 12.015 -0.550 6.361 1.00 0.66 H new ATOM 0 HB3 LYS A 120 11.102 -0.584 7.856 1.00 0.66 H new ATOM 0 HG2 LYS A 120 13.389 -1.325 8.261 1.00 1.08 H new ATOM 0 HG3 LYS A 120 12.277 -2.648 8.548 1.00 1.08 H new ATOM 0 HD2 LYS A 120 12.746 -3.502 6.230 1.00 1.68 H new ATOM 0 HD3 LYS A 120 13.918 -2.216 6.019 1.00 1.68 H new ATOM 0 HE2 LYS A 120 14.035 -4.379 8.157 1.00 2.25 H new ATOM 0 HE3 LYS A 120 14.988 -4.351 6.687 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 16.328 -3.502 8.414 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 15.891 -2.165 7.464 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 15.120 -2.438 8.952 1.00 2.76 H new ATOM 1617 N GLU A 121 8.876 -2.411 8.197 1.00 0.56 N ATOM 1618 CA GLU A 121 8.102 -3.170 9.173 1.00 0.63 C ATOM 1619 C GLU A 121 7.266 -4.231 8.464 1.00 0.67 C ATOM 1620 O GLU A 121 7.149 -5.367 8.928 1.00 0.79 O ATOM 1621 CB GLU A 121 7.182 -2.238 9.965 1.00 0.71 C ATOM 1622 CG GLU A 121 6.362 -2.953 11.027 1.00 1.18 C ATOM 1623 CD GLU A 121 5.235 -2.097 11.563 1.00 1.87 C ATOM 1624 OE1 GLU A 121 5.481 -1.277 12.468 1.00 2.50 O ATOM 1625 OE2 GLU A 121 4.095 -2.241 11.080 1.00 2.57 O ATOM 0 H GLU A 121 8.612 -1.429 8.121 1.00 0.56 H new ATOM 0 HA GLU A 121 8.793 -3.655 9.862 1.00 0.63 H new ATOM 0 HB2 GLU A 121 7.785 -1.465 10.442 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.506 -1.734 9.274 1.00 0.71 H new ATOM 0 HG2 GLU A 121 5.949 -3.870 10.606 1.00 1.18 H new ATOM 0 HG3 GLU A 121 7.015 -3.245 11.850 1.00 1.18 H new ATOM 1632 N PHE A 122 6.701 -3.837 7.332 1.00 0.65 N ATOM 1633 CA PHE A 122 5.835 -4.698 6.543 1.00 0.76 C ATOM 1634 C PHE A 122 6.594 -5.907 6.006 1.00 0.78 C ATOM 1635 O PHE A 122 6.127 -7.040 6.123 1.00 0.89 O ATOM 1636 CB PHE A 122 5.235 -3.892 5.390 1.00 0.86 C ATOM 1637 CG PHE A 122 4.292 -4.666 4.517 1.00 1.36 C ATOM 1638 CD1 PHE A 122 3.070 -5.098 5.006 1.00 2.24 C ATOM 1639 CD2 PHE A 122 4.625 -4.953 3.204 1.00 1.98 C ATOM 1640 CE1 PHE A 122 2.197 -5.798 4.199 1.00 2.95 C ATOM 1641 CE2 PHE A 122 3.756 -5.654 2.394 1.00 2.74 C ATOM 1642 CZ PHE A 122 2.541 -6.078 2.893 1.00 3.02 C ATOM 0 H PHE A 122 6.832 -2.907 6.934 1.00 0.65 H new ATOM 0 HA PHE A 122 5.036 -5.070 7.185 1.00 0.76 H new ATOM 0 HB2 PHE A 122 4.707 -3.031 5.801 1.00 0.86 H new ATOM 0 HB3 PHE A 122 6.046 -3.504 4.774 1.00 0.86 H new ATOM 0 HD1 PHE A 122 2.798 -4.885 6.029 1.00 2.24 H new ATOM 0 HD2 PHE A 122 5.575 -4.624 2.810 1.00 1.98 H new ATOM 0 HE1 PHE A 122 1.245 -6.126 4.590 1.00 2.95 H new ATOM 0 HE2 PHE A 122 4.026 -5.871 1.371 1.00 2.74 H new ATOM 0 HZ PHE A 122 1.860 -6.629 2.261 1.00 3.02 H new ATOM 1652 N SER A 123 7.764 -5.657 5.429 1.00 0.72 N ATOM 1653 CA SER A 123 8.574 -6.712 4.835 1.00 0.79 C ATOM 1654 C SER A 123 9.054 -7.702 5.892 1.00 0.81 C ATOM 1655 O SER A 123 9.214 -8.892 5.599 1.00 1.02 O ATOM 1656 CB SER A 123 9.767 -6.095 4.101 1.00 0.82 C ATOM 1657 OG SER A 123 10.500 -5.231 4.953 1.00 1.40 O ATOM 0 H SER A 123 8.174 -4.726 5.360 1.00 0.72 H new ATOM 0 HA SER A 123 7.957 -7.261 4.123 1.00 0.79 H new ATOM 0 HB2 SER A 123 10.420 -6.886 3.732 1.00 0.82 H new ATOM 0 HB3 SER A 123 9.415 -5.540 3.231 1.00 0.82 H new ATOM 0 HG SER A 123 11.439 -5.216 4.674 1.00 1.40 H new ATOM 1663 N GLU A 124 9.265 -7.209 7.115 1.00 0.80 N ATOM 1664 CA GLU A 124 9.729 -8.042 8.221 1.00 1.00 C ATOM 1665 C GLU A 124 11.081 -8.660 7.859 1.00 1.48 C ATOM 1666 O GLU A 124 11.168 -9.787 7.361 1.00 2.09 O ATOM 1667 CB GLU A 124 8.666 -9.105 8.561 1.00 1.88 C ATOM 1668 CG GLU A 124 8.907 -9.874 9.856 1.00 2.61 C ATOM 1669 CD GLU A 124 9.850 -11.048 9.691 1.00 3.54 C ATOM 1670 OE1 GLU A 124 10.963 -11.008 10.256 1.00 4.12 O ATOM 1671 OE2 GLU A 124 9.484 -12.017 8.991 1.00 4.14 O ATOM 0 H GLU A 124 9.120 -6.230 7.363 1.00 0.80 H new ATOM 0 HA GLU A 124 9.872 -7.437 9.116 1.00 1.00 H new ATOM 0 HB2 GLU A 124 7.694 -8.616 8.623 1.00 1.88 H new ATOM 0 HB3 GLU A 124 8.612 -9.818 7.738 1.00 1.88 H new ATOM 0 HG2 GLU A 124 9.313 -9.193 10.604 1.00 2.61 H new ATOM 0 HG3 GLU A 124 7.952 -10.235 10.239 1.00 2.61 H new ATOM 1678 N GLU A 125 12.133 -7.887 8.086 1.00 2.33 N ATOM 1679 CA GLU A 125 13.476 -8.283 7.706 1.00 3.47 C ATOM 1680 C GLU A 125 14.403 -8.231 8.912 1.00 4.34 C ATOM 1681 O GLU A 125 15.153 -7.239 9.051 1.00 4.92 O ATOM 1682 CB GLU A 125 14.002 -7.360 6.609 1.00 4.25 C ATOM 1683 CG GLU A 125 13.138 -7.335 5.359 1.00 4.82 C ATOM 1684 CD GLU A 125 13.679 -6.402 4.299 1.00 5.68 C ATOM 1685 OE1 GLU A 125 13.202 -5.250 4.214 1.00 6.29 O ATOM 1686 OE2 GLU A 125 14.591 -6.813 3.550 1.00 6.07 O ATOM 1687 OXT GLU A 125 14.357 -9.168 9.735 1.00 4.84 O ATOM 0 H GLU A 125 12.078 -6.973 8.536 1.00 2.33 H new ATOM 0 HA GLU A 125 13.445 -9.305 7.329 1.00 3.47 H new ATOM 0 HB2 GLU A 125 14.079 -6.348 7.006 1.00 4.25 H new ATOM 0 HB3 GLU A 125 15.010 -7.673 6.336 1.00 4.25 H new ATOM 0 HG2 GLU A 125 13.068 -8.343 4.950 1.00 4.82 H new ATOM 0 HG3 GLU A 125 12.127 -7.028 5.626 1.00 4.82 H new TER 1694 GLU A 125