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 160:sc= -0.153 (180deg=-0.686) USER MOD Single : A 29 SER OG : rot -140:sc= -0.0758 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.042) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc=-0.000939 (180deg=-0.128) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= -0.0153 (180deg=-0.168) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= 0.925 (180deg=0.623) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 55 SER OG : rot 180:sc= -0.164 USER MOD Single : A 64 GLN : amide:sc= -0.546 K(o=-0.55,f=-2!) USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 2.4 (180deg=2.02) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.19) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -81:sc= 0.252 USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.13) USER MOD Single : A 93 LYS NZ :NH3+ -152:sc= -0.0837 (180deg=-1.14) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -120:sc= 1.23 (180deg=-0.242) USER MOD Single : A 103 ASN : amide:sc= 0.624 K(o=0.62,f=-0.86) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00646 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0.116 USER MOD Single : A 116 LYS NZ :NH3+ 174:sc= 1.98 (180deg=1.85) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= -0.0443 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 3.089 -17.394 -0.872 1.00 1.82 N ATOM 2 CA MET A 21 2.977 -16.181 -0.030 1.00 1.48 C ATOM 3 C MET A 21 3.406 -14.950 -0.821 1.00 1.22 C ATOM 4 O MET A 21 4.403 -14.983 -1.539 1.00 1.47 O ATOM 5 CB MET A 21 3.841 -16.331 1.228 1.00 1.86 C ATOM 6 CG MET A 21 3.856 -15.095 2.116 1.00 1.95 C ATOM 7 SD MET A 21 4.859 -15.312 3.600 1.00 2.87 S ATOM 8 CE MET A 21 6.467 -15.646 2.883 1.00 3.09 C ATOM 0 HA MET A 21 1.937 -16.057 0.272 1.00 1.48 H new ATOM 0 HB2 MET A 21 3.477 -17.179 1.808 1.00 1.86 H new ATOM 0 HB3 MET A 21 4.863 -16.564 0.929 1.00 1.86 H new ATOM 0 HG2 MET A 21 4.238 -14.248 1.546 1.00 1.95 H new ATOM 0 HG3 MET A 21 2.834 -14.849 2.406 1.00 1.95 H new ATOM 0 HE1 MET A 21 7.243 -15.453 3.624 1.00 3.09 H new ATOM 0 HE2 MET A 21 6.516 -16.689 2.569 1.00 3.09 H new ATOM 0 HE3 MET A 21 6.621 -15.000 2.019 1.00 3.09 H new ATOM 17 N ARG A 22 2.651 -13.868 -0.697 1.00 0.88 N ATOM 18 CA ARG A 22 2.946 -12.644 -1.436 1.00 0.73 C ATOM 19 C ARG A 22 2.966 -11.442 -0.506 1.00 0.55 C ATOM 20 O ARG A 22 2.190 -11.376 0.445 1.00 0.56 O ATOM 21 CB ARG A 22 1.904 -12.413 -2.535 1.00 0.86 C ATOM 22 CG ARG A 22 1.859 -13.501 -3.590 1.00 1.33 C ATOM 23 CD ARG A 22 3.186 -13.641 -4.310 1.00 1.33 C ATOM 24 NE ARG A 22 3.570 -12.419 -5.015 1.00 1.91 N ATOM 25 CZ ARG A 22 4.827 -12.100 -5.333 1.00 2.43 C ATOM 26 NH1 ARG A 22 5.830 -12.902 -4.986 1.00 2.62 N ATOM 27 NH2 ARG A 22 5.083 -10.983 -6.006 1.00 3.31 N ATOM 0 H ARG A 22 1.831 -13.810 -0.094 1.00 0.88 H new ATOM 0 HA ARG A 22 3.930 -12.761 -1.890 1.00 0.73 H new ATOM 0 HB2 ARG A 22 0.920 -12.329 -2.074 1.00 0.86 H new ATOM 0 HB3 ARG A 22 2.111 -11.460 -3.021 1.00 0.86 H new ATOM 0 HG2 ARG A 22 1.597 -14.450 -3.123 1.00 1.33 H new ATOM 0 HG3 ARG A 22 1.075 -13.275 -4.313 1.00 1.33 H new ATOM 0 HD2 ARG A 22 3.962 -13.900 -3.589 1.00 1.33 H new ATOM 0 HD3 ARG A 22 3.125 -14.464 -5.022 1.00 1.33 H new ATOM 0 HE ARG A 22 2.831 -11.769 -5.281 1.00 1.91 H new ATOM 0 HH11 ARG A 22 5.640 -13.764 -4.475 1.00 2.62 H new ATOM 0 HH12 ARG A 22 6.789 -12.655 -5.231 1.00 2.62 H new ATOM 0 HH21 ARG A 22 4.318 -10.367 -6.281 1.00 3.31 H new ATOM 0 HH22 ARG A 22 6.044 -10.742 -6.247 1.00 3.31 H new ATOM 41 N LEU A 23 3.861 -10.506 -0.778 1.00 0.51 N ATOM 42 CA LEU A 23 3.917 -9.257 -0.035 1.00 0.43 C ATOM 43 C LEU A 23 3.797 -8.091 -1.004 1.00 0.37 C ATOM 44 O LEU A 23 4.666 -7.884 -1.851 1.00 0.40 O ATOM 45 CB LEU A 23 5.215 -9.146 0.773 1.00 0.58 C ATOM 46 CG LEU A 23 5.384 -10.167 1.902 1.00 1.05 C ATOM 47 CD1 LEU A 23 5.932 -11.486 1.375 1.00 1.76 C ATOM 48 CD2 LEU A 23 6.284 -9.606 2.987 1.00 1.55 C ATOM 0 H LEU A 23 4.563 -10.589 -1.513 1.00 0.51 H new ATOM 0 HA LEU A 23 3.087 -9.235 0.671 1.00 0.43 H new ATOM 0 HB2 LEU A 23 6.057 -9.246 0.088 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.270 -8.145 1.202 1.00 0.58 H new ATOM 0 HG LEU A 23 4.402 -10.365 2.331 1.00 1.05 H new ATOM 0 HD11 LEU A 23 6.041 -12.190 2.200 1.00 1.76 H new ATOM 0 HD12 LEU A 23 5.244 -11.896 0.636 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.904 -11.317 0.911 1.00 1.76 H new ATOM 0 HD21 LEU A 23 6.396 -10.342 3.783 1.00 1.55 H new ATOM 0 HD22 LEU A 23 7.262 -9.376 2.565 1.00 1.55 H new ATOM 0 HD23 LEU A 23 5.841 -8.696 3.393 1.00 1.55 H new ATOM 60 N VAL A 24 2.715 -7.341 -0.884 1.00 0.35 N ATOM 61 CA VAL A 24 2.375 -6.328 -1.870 1.00 0.37 C ATOM 62 C VAL A 24 2.265 -4.944 -1.237 1.00 0.38 C ATOM 63 O VAL A 24 1.685 -4.781 -0.161 1.00 0.42 O ATOM 64 CB VAL A 24 1.046 -6.676 -2.574 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.747 -5.696 -3.699 1.00 0.46 C ATOM 66 CG2 VAL A 24 1.080 -8.104 -3.098 1.00 0.45 C ATOM 0 H VAL A 24 2.054 -7.415 -0.111 1.00 0.35 H new ATOM 0 HA VAL A 24 3.181 -6.311 -2.604 1.00 0.37 H new ATOM 0 HB VAL A 24 0.244 -6.595 -1.841 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.195 -5.966 -4.176 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.671 -4.687 -3.292 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.550 -5.731 -4.435 1.00 0.46 H new ATOM 0 HG21 VAL A 24 0.135 -8.333 -3.591 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.897 -8.210 -3.811 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.232 -8.793 -2.267 1.00 0.45 H new ATOM 76 N VAL A 25 2.830 -3.958 -1.913 1.00 0.39 N ATOM 77 CA VAL A 25 2.767 -2.577 -1.474 1.00 0.41 C ATOM 78 C VAL A 25 2.104 -1.721 -2.551 1.00 0.39 C ATOM 79 O VAL A 25 2.622 -1.595 -3.659 1.00 0.42 O ATOM 80 CB VAL A 25 4.175 -2.018 -1.180 1.00 0.46 C ATOM 81 CG1 VAL A 25 4.093 -0.573 -0.722 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.892 -2.870 -0.142 1.00 0.52 C ATOM 0 H VAL A 25 3.346 -4.094 -2.783 1.00 0.39 H new ATOM 0 HA VAL A 25 2.181 -2.544 -0.556 1.00 0.41 H new ATOM 0 HB VAL A 25 4.752 -2.053 -2.104 1.00 0.46 H new ATOM 0 HG11 VAL A 25 5.096 -0.198 -0.520 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.630 0.031 -1.503 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.493 -0.513 0.186 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.882 -2.456 0.048 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.317 -2.876 0.784 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.991 -3.890 -0.514 1.00 0.52 H new ATOM 92 N LEU A 26 0.955 -1.148 -2.233 1.00 0.40 N ATOM 93 CA LEU A 26 0.230 -0.315 -3.183 1.00 0.38 C ATOM 94 C LEU A 26 0.160 1.121 -2.692 1.00 0.37 C ATOM 95 O LEU A 26 -0.472 1.409 -1.679 1.00 0.48 O ATOM 96 CB LEU A 26 -1.172 -0.881 -3.410 1.00 0.46 C ATOM 97 CG LEU A 26 -1.222 -2.107 -4.323 1.00 0.56 C ATOM 98 CD1 LEU A 26 -2.487 -2.905 -4.086 1.00 1.15 C ATOM 99 CD2 LEU A 26 -1.149 -1.681 -5.778 1.00 1.33 C ATOM 0 H LEU A 26 0.502 -1.243 -1.324 1.00 0.40 H new ATOM 0 HA LEU A 26 0.765 -0.319 -4.133 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.604 -1.145 -2.445 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.800 -0.100 -3.837 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.364 -2.738 -4.090 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -2.500 -3.772 -4.747 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -2.518 -3.239 -3.049 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -3.356 -2.279 -4.291 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -1.185 -2.563 -6.418 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -1.992 -1.030 -6.009 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -0.217 -1.144 -5.954 1.00 1.33 H new ATOM 111 N ILE A 27 0.814 2.022 -3.411 1.00 0.33 N ATOM 112 CA ILE A 27 0.899 3.416 -2.986 1.00 0.36 C ATOM 113 C ILE A 27 -0.027 4.294 -3.821 1.00 0.39 C ATOM 114 O ILE A 27 -0.045 4.192 -5.049 1.00 0.40 O ATOM 115 CB ILE A 27 2.343 3.963 -3.097 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.336 3.008 -2.424 1.00 0.93 C ATOM 117 CG2 ILE A 27 2.434 5.350 -2.473 1.00 1.32 C ATOM 118 CD1 ILE A 27 4.761 3.522 -2.407 1.00 1.36 C ATOM 0 H ILE A 27 1.292 1.816 -4.288 1.00 0.33 H new ATOM 0 HA ILE A 27 0.592 3.446 -1.941 1.00 0.36 H new ATOM 0 HB ILE A 27 2.602 4.039 -4.153 1.00 0.44 H new ATOM 0 HG12 ILE A 27 3.013 2.826 -1.399 1.00 0.93 H new ATOM 0 HG13 ILE A 27 3.311 2.049 -2.941 1.00 0.93 H new ATOM 0 HG21 ILE A 27 3.455 5.721 -2.559 1.00 1.32 H new ATOM 0 HG22 ILE A 27 1.757 6.028 -2.992 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.155 5.295 -1.421 1.00 1.32 H new ATOM 0 HD11 ILE A 27 5.405 2.793 -1.915 1.00 1.36 H new ATOM 0 HD12 ILE A 27 5.104 3.677 -3.430 1.00 1.36 H new ATOM 0 HD13 ILE A 27 4.801 4.466 -1.864 1.00 1.36 H new ATOM 130 N VAL A 28 -0.792 5.152 -3.155 1.00 0.48 N ATOM 131 CA VAL A 28 -1.686 6.069 -3.846 1.00 0.56 C ATOM 132 C VAL A 28 -1.111 7.475 -3.818 1.00 0.86 C ATOM 133 O VAL A 28 -1.298 8.210 -2.847 1.00 1.37 O ATOM 134 CB VAL A 28 -3.073 6.104 -3.171 1.00 0.77 C ATOM 135 CG1 VAL A 28 -4.070 6.874 -4.021 1.00 1.12 C ATOM 136 CG2 VAL A 28 -3.568 4.700 -2.887 1.00 1.17 C ATOM 0 H VAL A 28 -0.810 5.230 -2.138 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.790 5.718 -4.873 1.00 0.56 H new ATOM 0 HB VAL A 28 -2.974 6.625 -2.218 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -5.040 6.885 -3.524 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -3.720 7.897 -4.155 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -4.166 6.393 -4.994 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -4.547 4.749 -2.411 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.646 4.146 -3.822 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.867 4.194 -2.223 1.00 1.17 H new ATOM 146 N SER A 29 -0.400 7.837 -4.875 1.00 0.85 N ATOM 147 CA SER A 29 0.179 9.166 -4.992 1.00 1.25 C ATOM 148 C SER A 29 0.851 9.329 -6.346 1.00 0.83 C ATOM 149 O SER A 29 0.842 8.409 -7.167 1.00 1.53 O ATOM 150 CB SER A 29 1.203 9.394 -3.875 1.00 2.38 C ATOM 151 OG SER A 29 2.140 8.332 -3.827 1.00 3.23 O ATOM 0 H SER A 29 -0.210 7.225 -5.668 1.00 0.85 H new ATOM 0 HA SER A 29 -0.619 9.903 -4.901 1.00 1.25 H new ATOM 0 HB2 SER A 29 1.724 10.337 -4.040 1.00 2.38 H new ATOM 0 HB3 SER A 29 0.690 9.476 -2.917 1.00 2.38 H new ATOM 0 HG SER A 29 2.336 8.110 -2.893 1.00 3.23 H new ATOM 157 N ASN A 30 1.434 10.495 -6.572 1.00 1.19 N ATOM 158 CA ASN A 30 2.397 10.654 -7.642 1.00 1.67 C ATOM 159 C ASN A 30 3.470 11.636 -7.196 1.00 1.19 C ATOM 160 O ASN A 30 3.422 12.825 -7.508 1.00 1.38 O ATOM 161 CB ASN A 30 1.715 11.148 -8.925 1.00 2.93 C ATOM 162 CG ASN A 30 2.651 11.137 -10.122 1.00 3.86 C ATOM 163 OD1 ASN A 30 3.347 12.116 -10.391 1.00 4.32 O ATOM 164 ND2 ASN A 30 2.665 10.032 -10.855 1.00 4.58 N ATOM 0 H ASN A 30 1.256 11.340 -6.030 1.00 1.19 H new ATOM 0 HA ASN A 30 2.852 9.688 -7.863 1.00 1.67 H new ATOM 0 HB2 ASN A 30 0.850 10.520 -9.138 1.00 2.93 H new ATOM 0 HB3 ASN A 30 1.343 12.160 -8.768 1.00 2.93 H new ATOM 0 HD21 ASN A 30 3.268 9.972 -11.676 1.00 4.58 H new ATOM 0 HD22 ASN A 30 2.073 9.242 -10.598 1.00 4.58 H new ATOM 171 N ASP A 31 4.425 11.120 -6.440 1.00 1.45 N ATOM 172 CA ASP A 31 5.605 11.874 -6.041 1.00 1.18 C ATOM 173 C ASP A 31 6.838 11.093 -6.449 1.00 0.94 C ATOM 174 O ASP A 31 7.013 9.947 -6.037 1.00 1.28 O ATOM 175 CB ASP A 31 5.607 12.132 -4.533 1.00 1.61 C ATOM 176 CG ASP A 31 6.767 13.003 -4.095 1.00 1.74 C ATOM 177 OD1 ASP A 31 6.607 14.245 -4.070 1.00 2.03 O ATOM 178 OD2 ASP A 31 7.842 12.456 -3.774 1.00 2.29 O ATOM 0 H ASP A 31 4.405 10.164 -6.084 1.00 1.45 H new ATOM 0 HA ASP A 31 5.600 12.844 -6.538 1.00 1.18 H new ATOM 0 HB2 ASP A 31 4.670 12.610 -4.248 1.00 1.61 H new ATOM 0 HB3 ASP A 31 5.652 11.180 -4.005 1.00 1.61 H new ATOM 183 N LYS A 32 7.686 11.705 -7.255 1.00 0.79 N ATOM 184 CA LYS A 32 8.799 10.990 -7.862 1.00 0.82 C ATOM 185 C LYS A 32 9.827 10.545 -6.829 1.00 0.66 C ATOM 186 O LYS A 32 10.458 9.507 -6.996 1.00 0.68 O ATOM 187 CB LYS A 32 9.463 11.839 -8.945 1.00 1.24 C ATOM 188 CG LYS A 32 8.519 12.217 -10.076 1.00 1.77 C ATOM 189 CD LYS A 32 7.784 10.999 -10.617 1.00 2.22 C ATOM 190 CE LYS A 32 6.964 11.335 -11.852 1.00 3.17 C ATOM 191 NZ LYS A 32 7.824 11.650 -13.023 1.00 3.77 N ATOM 0 H LYS A 32 7.628 12.692 -7.505 1.00 0.79 H new ATOM 0 HA LYS A 32 8.389 10.091 -8.322 1.00 0.82 H new ATOM 0 HB2 LYS A 32 9.859 12.748 -8.492 1.00 1.24 H new ATOM 0 HB3 LYS A 32 10.311 11.292 -9.357 1.00 1.24 H new ATOM 0 HG2 LYS A 32 7.796 12.951 -9.719 1.00 1.77 H new ATOM 0 HG3 LYS A 32 9.083 12.690 -10.880 1.00 1.77 H new ATOM 0 HD2 LYS A 32 8.505 10.219 -10.861 1.00 2.22 H new ATOM 0 HD3 LYS A 32 7.129 10.597 -9.844 1.00 2.22 H new ATOM 0 HE2 LYS A 32 6.314 10.494 -12.095 1.00 3.17 H new ATOM 0 HE3 LYS A 32 6.318 12.186 -11.637 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 7.239 11.690 -13.882 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 8.287 12.570 -12.876 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 8.548 10.911 -13.131 1.00 3.77 H new ATOM 205 N LYS A 33 9.999 11.313 -5.766 1.00 0.71 N ATOM 206 CA LYS A 33 10.957 10.945 -4.734 1.00 0.75 C ATOM 207 C LYS A 33 10.376 9.860 -3.835 1.00 0.68 C ATOM 208 O LYS A 33 11.041 8.865 -3.542 1.00 0.78 O ATOM 209 CB LYS A 33 11.361 12.162 -3.903 1.00 0.95 C ATOM 210 CG LYS A 33 12.464 11.863 -2.900 1.00 1.45 C ATOM 211 CD LYS A 33 12.824 13.092 -2.087 1.00 1.86 C ATOM 212 CE LYS A 33 13.961 12.808 -1.121 1.00 2.71 C ATOM 213 NZ LYS A 33 14.283 13.991 -0.284 1.00 3.23 N ATOM 0 H LYS A 33 9.496 12.184 -5.595 1.00 0.71 H new ATOM 0 HA LYS A 33 11.850 10.556 -5.223 1.00 0.75 H new ATOM 0 HB2 LYS A 33 11.692 12.957 -4.572 1.00 0.95 H new ATOM 0 HB3 LYS A 33 10.487 12.537 -3.371 1.00 0.95 H new ATOM 0 HG2 LYS A 33 12.143 11.064 -2.231 1.00 1.45 H new ATOM 0 HG3 LYS A 33 13.348 11.502 -3.426 1.00 1.45 H new ATOM 0 HD2 LYS A 33 13.109 13.902 -2.758 1.00 1.86 H new ATOM 0 HD3 LYS A 33 11.950 13.431 -1.532 1.00 1.86 H new ATOM 0 HE2 LYS A 33 13.691 11.971 -0.478 1.00 2.71 H new ATOM 0 HE3 LYS A 33 14.847 12.507 -1.681 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 15.064 13.757 0.362 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 14.566 14.783 -0.896 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 13.446 14.263 0.269 1.00 3.23 H new ATOM 227 N LEU A 34 9.129 10.056 -3.417 1.00 0.61 N ATOM 228 CA LEU A 34 8.435 9.097 -2.563 1.00 0.64 C ATOM 229 C LEU A 34 8.388 7.723 -3.222 1.00 0.53 C ATOM 230 O LEU A 34 8.814 6.729 -2.639 1.00 0.62 O ATOM 231 CB LEU A 34 7.004 9.570 -2.291 1.00 0.70 C ATOM 232 CG LEU A 34 6.202 8.709 -1.311 1.00 0.82 C ATOM 233 CD1 LEU A 34 6.424 9.167 0.121 1.00 1.39 C ATOM 234 CD2 LEU A 34 4.724 8.742 -1.661 1.00 1.38 C ATOM 0 H LEU A 34 8.574 10.877 -3.658 1.00 0.61 H new ATOM 0 HA LEU A 34 8.983 9.025 -1.624 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.043 10.589 -1.905 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.466 9.609 -3.238 1.00 0.70 H new ATOM 0 HG LEU A 34 6.554 7.681 -1.395 1.00 0.82 H new ATOM 0 HD11 LEU A 34 5.844 8.540 0.798 1.00 1.39 H new ATOM 0 HD12 LEU A 34 7.482 9.086 0.369 1.00 1.39 H new ATOM 0 HD13 LEU A 34 6.105 10.204 0.225 1.00 1.39 H new ATOM 0 HD21 LEU A 34 4.169 8.125 -0.955 1.00 1.38 H new ATOM 0 HD22 LEU A 34 4.361 9.768 -1.610 1.00 1.38 H new ATOM 0 HD23 LEU A 34 4.580 8.356 -2.670 1.00 1.38 H new ATOM 246 N ILE A 35 7.879 7.689 -4.449 1.00 0.43 N ATOM 247 CA ILE A 35 7.664 6.439 -5.165 1.00 0.43 C ATOM 248 C ILE A 35 8.967 5.677 -5.392 1.00 0.46 C ATOM 249 O ILE A 35 9.065 4.496 -5.054 1.00 0.52 O ATOM 250 CB ILE A 35 6.975 6.680 -6.525 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.555 7.215 -6.312 1.00 0.57 C ATOM 252 CG2 ILE A 35 6.950 5.395 -7.345 1.00 0.61 C ATOM 253 CD1 ILE A 35 4.840 7.577 -7.597 1.00 0.97 C ATOM 0 H ILE A 35 7.606 8.521 -4.971 1.00 0.43 H new ATOM 0 HA ILE A 35 7.013 5.835 -4.533 1.00 0.43 H new ATOM 0 HB ILE A 35 7.545 7.426 -7.079 1.00 0.47 H new ATOM 0 HG12 ILE A 35 4.970 6.465 -5.780 1.00 0.57 H new ATOM 0 HG13 ILE A 35 5.601 8.096 -5.672 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.461 5.583 -8.301 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.971 5.055 -7.520 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.401 4.627 -6.801 1.00 0.61 H new ATOM 0 HD11 ILE A 35 3.841 7.948 -7.366 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.402 8.350 -8.121 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.761 6.694 -8.231 1.00 0.97 H new ATOM 265 N GLU A 36 9.963 6.350 -5.956 1.00 0.51 N ATOM 266 CA GLU A 36 11.212 5.692 -6.310 1.00 0.62 C ATOM 267 C GLU A 36 11.909 5.123 -5.086 1.00 0.63 C ATOM 268 O GLU A 36 12.166 3.924 -5.023 1.00 0.64 O ATOM 269 CB GLU A 36 12.148 6.645 -7.045 1.00 0.79 C ATOM 270 CG GLU A 36 11.647 7.036 -8.425 1.00 0.87 C ATOM 271 CD GLU A 36 12.662 7.840 -9.207 1.00 1.64 C ATOM 272 OE1 GLU A 36 13.790 7.345 -9.403 1.00 2.22 O ATOM 273 OE2 GLU A 36 12.333 8.961 -9.649 1.00 2.42 O ATOM 0 H GLU A 36 9.930 7.345 -6.176 1.00 0.51 H new ATOM 0 HA GLU A 36 10.960 4.867 -6.976 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.281 7.546 -6.446 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.128 6.178 -7.141 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.394 6.135 -8.984 1.00 0.87 H new ATOM 0 HG3 GLU A 36 10.730 7.616 -8.323 1.00 0.87 H new ATOM 280 N GLU A 37 12.181 5.975 -4.104 1.00 0.68 N ATOM 281 CA GLU A 37 12.943 5.562 -2.930 1.00 0.77 C ATOM 282 C GLU A 37 12.224 4.443 -2.177 1.00 0.71 C ATOM 283 O GLU A 37 12.862 3.545 -1.620 1.00 0.79 O ATOM 284 CB GLU A 37 13.192 6.760 -2.005 1.00 0.91 C ATOM 285 CG GLU A 37 14.144 6.456 -0.858 1.00 1.41 C ATOM 286 CD GLU A 37 14.477 7.678 -0.027 1.00 1.84 C ATOM 287 OE1 GLU A 37 15.385 8.442 -0.420 1.00 2.30 O ATOM 288 OE2 GLU A 37 13.853 7.871 1.032 1.00 2.53 O ATOM 0 H GLU A 37 11.887 6.952 -4.096 1.00 0.68 H new ATOM 0 HA GLU A 37 13.905 5.177 -3.268 1.00 0.77 H new ATOM 0 HB2 GLU A 37 13.596 7.584 -2.593 1.00 0.91 H new ATOM 0 HB3 GLU A 37 12.239 7.097 -1.596 1.00 0.91 H new ATOM 0 HG2 GLU A 37 13.699 5.696 -0.215 1.00 1.41 H new ATOM 0 HG3 GLU A 37 15.065 6.034 -1.260 1.00 1.41 H new ATOM 295 N ALA A 38 10.897 4.486 -2.178 1.00 0.61 N ATOM 296 CA ALA A 38 10.106 3.440 -1.548 1.00 0.60 C ATOM 297 C ALA A 38 10.219 2.140 -2.335 1.00 0.54 C ATOM 298 O ALA A 38 10.450 1.075 -1.764 1.00 0.59 O ATOM 299 CB ALA A 38 8.649 3.864 -1.427 1.00 0.60 C ATOM 0 H ALA A 38 10.349 5.232 -2.607 1.00 0.61 H new ATOM 0 HA ALA A 38 10.497 3.273 -0.544 1.00 0.60 H new ATOM 0 HB1 ALA A 38 8.076 3.067 -0.953 1.00 0.60 H new ATOM 0 HB2 ALA A 38 8.582 4.768 -0.822 1.00 0.60 H new ATOM 0 HB3 ALA A 38 8.244 4.061 -2.419 1.00 0.60 H new ATOM 305 N ARG A 39 10.077 2.235 -3.651 1.00 0.49 N ATOM 306 CA ARG A 39 10.137 1.058 -4.508 1.00 0.53 C ATOM 307 C ARG A 39 11.530 0.435 -4.493 1.00 0.56 C ATOM 308 O ARG A 39 11.668 -0.788 -4.552 1.00 0.59 O ATOM 309 CB ARG A 39 9.728 1.406 -5.940 1.00 0.60 C ATOM 310 CG ARG A 39 9.724 0.200 -6.863 1.00 0.88 C ATOM 311 CD ARG A 39 9.257 0.546 -8.265 1.00 0.95 C ATOM 312 NE ARG A 39 9.463 -0.573 -9.184 1.00 1.37 N ATOM 313 CZ ARG A 39 8.672 -0.859 -10.216 1.00 1.97 C ATOM 314 NH1 ARG A 39 7.604 -0.111 -10.476 1.00 2.23 N ATOM 315 NH2 ARG A 39 8.954 -1.899 -10.991 1.00 2.73 N ATOM 0 H ARG A 39 9.920 3.112 -4.147 1.00 0.49 H new ATOM 0 HA ARG A 39 9.432 0.326 -4.113 1.00 0.53 H new ATOM 0 HB2 ARG A 39 8.734 1.853 -5.930 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.411 2.157 -6.335 1.00 0.60 H new ATOM 0 HG2 ARG A 39 10.728 -0.221 -6.911 1.00 0.88 H new ATOM 0 HG3 ARG A 39 9.075 -0.571 -6.447 1.00 0.88 H new ATOM 0 HD2 ARG A 39 8.200 0.812 -8.243 1.00 0.95 H new ATOM 0 HD3 ARG A 39 9.799 1.420 -8.626 1.00 0.95 H new ATOM 0 HE ARG A 39 10.269 -1.177 -9.023 1.00 1.37 H new ATOM 0 HH11 ARG A 39 7.385 0.689 -9.883 1.00 2.23 H new ATOM 0 HH12 ARG A 39 7.004 -0.337 -11.269 1.00 2.23 H new ATOM 0 HH21 ARG A 39 9.773 -2.474 -10.794 1.00 2.73 H new ATOM 0 HH22 ARG A 39 8.352 -2.123 -11.783 1.00 2.73 H new ATOM 329 N LYS A 40 12.556 1.275 -4.401 1.00 0.59 N ATOM 330 CA LYS A 40 13.934 0.798 -4.355 1.00 0.67 C ATOM 331 C LYS A 40 14.146 -0.113 -3.154 1.00 0.65 C ATOM 332 O LYS A 40 14.803 -1.146 -3.255 1.00 0.71 O ATOM 333 CB LYS A 40 14.918 1.971 -4.297 1.00 0.78 C ATOM 334 CG LYS A 40 14.879 2.880 -5.520 1.00 0.83 C ATOM 335 CD LYS A 40 15.079 2.107 -6.816 1.00 1.29 C ATOM 336 CE LYS A 40 16.462 1.480 -6.902 1.00 1.82 C ATOM 337 NZ LYS A 40 17.539 2.504 -6.915 1.00 2.52 N ATOM 0 H LYS A 40 12.459 2.289 -4.357 1.00 0.59 H new ATOM 0 HA LYS A 40 14.121 0.231 -5.267 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.705 2.566 -3.409 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.928 1.578 -4.182 1.00 0.78 H new ATOM 0 HG2 LYS A 40 13.922 3.401 -5.553 1.00 0.83 H new ATOM 0 HG3 LYS A 40 15.654 3.642 -5.430 1.00 0.83 H new ATOM 0 HD2 LYS A 40 14.322 1.326 -6.892 1.00 1.29 H new ATOM 0 HD3 LYS A 40 14.932 2.777 -7.663 1.00 1.29 H new ATOM 0 HE2 LYS A 40 16.609 0.810 -6.055 1.00 1.82 H new ATOM 0 HE3 LYS A 40 16.529 0.872 -7.804 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 18.441 2.056 -7.177 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 17.306 3.244 -7.608 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 17.625 2.929 -5.970 1.00 2.52 H new ATOM 351 N MET A 41 13.571 0.267 -2.021 1.00 0.64 N ATOM 352 CA MET A 41 13.696 -0.530 -0.809 1.00 0.68 C ATOM 353 C MET A 41 12.745 -1.721 -0.851 1.00 0.63 C ATOM 354 O MET A 41 13.032 -2.781 -0.291 1.00 0.67 O ATOM 355 CB MET A 41 13.416 0.323 0.431 1.00 0.82 C ATOM 356 CG MET A 41 14.374 1.494 0.596 1.00 0.99 C ATOM 357 SD MET A 41 16.098 0.975 0.701 1.00 1.64 S ATOM 358 CE MET A 41 16.914 2.561 0.864 1.00 2.61 C ATOM 0 H MET A 41 13.017 1.117 -1.916 1.00 0.64 H new ATOM 0 HA MET A 41 14.719 -0.901 -0.752 1.00 0.68 H new ATOM 0 HB2 MET A 41 12.396 0.704 0.377 1.00 0.82 H new ATOM 0 HB3 MET A 41 13.473 -0.309 1.317 1.00 0.82 H new ATOM 0 HG2 MET A 41 14.255 2.176 -0.246 1.00 0.99 H new ATOM 0 HG3 MET A 41 14.111 2.049 1.496 1.00 0.99 H new ATOM 0 HE1 MET A 41 17.991 2.410 0.940 1.00 2.61 H new ATOM 0 HE2 MET A 41 16.695 3.175 -0.010 1.00 2.61 H new ATOM 0 HE3 MET A 41 16.554 3.065 1.761 1.00 2.61 H new ATOM 368 N ALA A 42 11.620 -1.541 -1.534 1.00 0.60 N ATOM 369 CA ALA A 42 10.611 -2.584 -1.648 1.00 0.64 C ATOM 370 C ALA A 42 11.114 -3.758 -2.480 1.00 0.61 C ATOM 371 O ALA A 42 11.086 -4.901 -2.029 1.00 0.66 O ATOM 372 CB ALA A 42 9.332 -2.023 -2.246 1.00 0.75 C ATOM 0 H ALA A 42 11.384 -0.676 -2.020 1.00 0.60 H new ATOM 0 HA ALA A 42 10.400 -2.952 -0.644 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.588 -2.816 -2.324 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.949 -1.228 -1.606 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.540 -1.621 -3.238 1.00 0.75 H new ATOM 378 N GLU A 43 11.592 -3.477 -3.686 1.00 0.62 N ATOM 379 CA GLU A 43 12.077 -4.529 -4.574 1.00 0.75 C ATOM 380 C GLU A 43 13.378 -5.121 -4.046 1.00 0.71 C ATOM 381 O GLU A 43 13.759 -6.238 -4.401 1.00 0.79 O ATOM 382 CB GLU A 43 12.265 -3.994 -5.993 1.00 0.93 C ATOM 383 CG GLU A 43 10.979 -3.466 -6.605 1.00 1.33 C ATOM 384 CD GLU A 43 11.118 -3.141 -8.076 1.00 1.88 C ATOM 385 OE1 GLU A 43 11.619 -2.050 -8.407 1.00 2.39 O ATOM 386 OE2 GLU A 43 10.706 -3.973 -8.909 1.00 2.57 O ATOM 0 H GLU A 43 11.655 -2.535 -4.071 1.00 0.62 H new ATOM 0 HA GLU A 43 11.329 -5.321 -4.605 1.00 0.75 H new ATOM 0 HB2 GLU A 43 13.008 -3.197 -5.979 1.00 0.93 H new ATOM 0 HB3 GLU A 43 12.662 -4.788 -6.625 1.00 0.93 H new ATOM 0 HG2 GLU A 43 10.190 -4.206 -6.475 1.00 1.33 H new ATOM 0 HG3 GLU A 43 10.668 -2.570 -6.068 1.00 1.33 H new ATOM 393 N LYS A 44 14.048 -4.366 -3.187 1.00 0.68 N ATOM 394 CA LYS A 44 15.238 -4.849 -2.501 1.00 0.77 C ATOM 395 C LYS A 44 14.843 -5.870 -1.435 1.00 0.69 C ATOM 396 O LYS A 44 15.638 -6.722 -1.040 1.00 0.80 O ATOM 397 CB LYS A 44 15.982 -3.673 -1.859 1.00 0.92 C ATOM 398 CG LYS A 44 17.306 -4.045 -1.211 1.00 1.42 C ATOM 399 CD LYS A 44 17.910 -2.869 -0.458 1.00 1.99 C ATOM 400 CE LYS A 44 18.206 -1.695 -1.381 1.00 2.49 C ATOM 401 NZ LYS A 44 18.761 -0.533 -0.637 1.00 2.98 N ATOM 0 H LYS A 44 13.785 -3.410 -2.947 1.00 0.68 H new ATOM 0 HA LYS A 44 15.898 -5.331 -3.222 1.00 0.77 H new ATOM 0 HB2 LYS A 44 16.165 -2.915 -2.621 1.00 0.92 H new ATOM 0 HB3 LYS A 44 15.338 -3.219 -1.106 1.00 0.92 H new ATOM 0 HG2 LYS A 44 17.155 -4.878 -0.525 1.00 1.42 H new ATOM 0 HG3 LYS A 44 18.004 -4.385 -1.976 1.00 1.42 H new ATOM 0 HD2 LYS A 44 17.224 -2.550 0.327 1.00 1.99 H new ATOM 0 HD3 LYS A 44 18.830 -3.186 0.032 1.00 1.99 H new ATOM 0 HE2 LYS A 44 18.914 -2.006 -2.149 1.00 2.49 H new ATOM 0 HE3 LYS A 44 17.291 -1.396 -1.893 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 19.256 0.098 -1.299 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 17.987 -0.013 -0.177 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 19.429 -0.870 0.085 1.00 2.98 H new ATOM 415 N ALA A 45 13.597 -5.781 -0.986 1.00 0.61 N ATOM 416 CA ALA A 45 13.077 -6.674 0.040 1.00 0.64 C ATOM 417 C ALA A 45 12.145 -7.720 -0.562 1.00 0.60 C ATOM 418 O ALA A 45 11.412 -8.395 0.160 1.00 0.71 O ATOM 419 CB ALA A 45 12.346 -5.873 1.107 1.00 0.76 C ATOM 0 H ALA A 45 12.923 -5.092 -1.321 1.00 0.61 H new ATOM 0 HA ALA A 45 13.919 -7.194 0.496 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.961 -6.550 1.870 1.00 0.76 H new ATOM 0 HB2 ALA A 45 13.035 -5.164 1.566 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.518 -5.331 0.651 1.00 0.76 H new ATOM 425 N ASN A 46 12.178 -7.839 -1.889 1.00 0.56 N ATOM 426 CA ASN A 46 11.337 -8.797 -2.615 1.00 0.65 C ATOM 427 C ASN A 46 9.854 -8.493 -2.424 1.00 0.62 C ATOM 428 O ASN A 46 9.022 -9.401 -2.378 1.00 0.80 O ATOM 429 CB ASN A 46 11.632 -10.240 -2.182 1.00 0.83 C ATOM 430 CG ASN A 46 12.941 -10.773 -2.734 1.00 1.46 C ATOM 431 OD1 ASN A 46 13.888 -10.024 -2.967 1.00 2.11 O ATOM 432 ND2 ASN A 46 13.003 -12.080 -2.936 1.00 2.22 N ATOM 0 H ASN A 46 12.783 -7.279 -2.490 1.00 0.56 H new ATOM 0 HA ASN A 46 11.579 -8.694 -3.673 1.00 0.65 H new ATOM 0 HB2 ASN A 46 11.658 -10.288 -1.093 1.00 0.83 H new ATOM 0 HB3 ASN A 46 10.817 -10.885 -2.510 1.00 0.83 H new ATOM 0 HD21 ASN A 46 13.859 -12.500 -3.298 1.00 2.22 H new ATOM 0 HD22 ASN A 46 12.195 -12.667 -2.730 1.00 2.22 H new ATOM 439 N LEU A 47 9.524 -7.216 -2.310 1.00 0.48 N ATOM 440 CA LEU A 47 8.138 -6.803 -2.168 1.00 0.48 C ATOM 441 C LEU A 47 7.567 -6.420 -3.525 1.00 0.45 C ATOM 442 O LEU A 47 8.272 -5.867 -4.375 1.00 0.53 O ATOM 443 CB LEU A 47 8.020 -5.616 -1.205 1.00 0.51 C ATOM 444 CG LEU A 47 8.623 -5.827 0.186 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.432 -4.584 1.040 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.003 -7.034 0.867 1.00 1.11 C ATOM 0 H LEU A 47 10.197 -6.449 -2.313 1.00 0.48 H new ATOM 0 HA LEU A 47 7.572 -7.640 -1.760 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.502 -4.752 -1.662 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.965 -5.369 -1.090 1.00 0.51 H new ATOM 0 HG LEU A 47 9.691 -6.012 0.069 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.866 -4.750 2.026 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.925 -3.736 0.564 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.368 -4.373 1.143 1.00 1.10 H new ATOM 0 HD21 LEU A 47 8.448 -7.163 1.854 1.00 1.11 H new ATOM 0 HD22 LEU A 47 6.929 -6.882 0.970 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.187 -7.925 0.267 1.00 1.11 H new ATOM 458 N GLU A 48 6.303 -6.734 -3.735 1.00 0.43 N ATOM 459 CA GLU A 48 5.617 -6.363 -4.960 1.00 0.47 C ATOM 460 C GLU A 48 4.981 -4.993 -4.783 1.00 0.45 C ATOM 461 O GLU A 48 3.908 -4.870 -4.199 1.00 0.49 O ATOM 462 CB GLU A 48 4.561 -7.422 -5.296 1.00 0.58 C ATOM 463 CG GLU A 48 3.722 -7.110 -6.526 1.00 0.80 C ATOM 464 CD GLU A 48 2.942 -8.317 -7.002 1.00 1.27 C ATOM 465 OE1 GLU A 48 3.530 -9.164 -7.709 1.00 2.13 O ATOM 466 OE2 GLU A 48 1.747 -8.436 -6.675 1.00 1.74 O ATOM 0 H GLU A 48 5.726 -7.248 -3.069 1.00 0.43 H new ATOM 0 HA GLU A 48 6.325 -6.312 -5.787 1.00 0.47 H new ATOM 0 HB2 GLU A 48 5.060 -8.379 -5.446 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.897 -7.539 -4.439 1.00 0.58 H new ATOM 0 HG2 GLU A 48 3.031 -6.299 -6.297 1.00 0.80 H new ATOM 0 HG3 GLU A 48 4.371 -6.759 -7.328 1.00 0.80 H new ATOM 473 N LEU A 49 5.648 -3.960 -5.272 1.00 0.46 N ATOM 474 CA LEU A 49 5.161 -2.603 -5.092 1.00 0.50 C ATOM 475 C LEU A 49 4.586 -2.059 -6.389 1.00 0.45 C ATOM 476 O LEU A 49 5.241 -2.072 -7.430 1.00 0.54 O ATOM 477 CB LEU A 49 6.272 -1.687 -4.561 1.00 0.67 C ATOM 478 CG LEU A 49 5.818 -0.284 -4.133 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.687 0.227 -2.999 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.865 0.690 -5.304 1.00 0.99 C ATOM 0 H LEU A 49 6.522 -4.034 -5.793 1.00 0.46 H new ATOM 0 HA LEU A 49 4.362 -2.628 -4.351 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.745 -2.174 -3.708 1.00 0.67 H new ATOM 0 HB3 LEU A 49 7.035 -1.584 -5.333 1.00 0.67 H new ATOM 0 HG LEU A 49 4.786 -0.355 -3.789 1.00 0.75 H new ATOM 0 HD11 LEU A 49 6.354 1.223 -2.706 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.607 -0.448 -2.147 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.725 0.274 -3.329 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.538 1.675 -4.971 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.885 0.755 -5.683 1.00 0.99 H new ATOM 0 HD23 LEU A 49 5.205 0.338 -6.097 1.00 0.99 H new ATOM 492 N ILE A 50 3.359 -1.586 -6.307 1.00 0.39 N ATOM 493 CA ILE A 50 2.671 -1.015 -7.448 1.00 0.43 C ATOM 494 C ILE A 50 2.104 0.350 -7.080 1.00 0.40 C ATOM 495 O ILE A 50 1.479 0.510 -6.029 1.00 0.37 O ATOM 496 CB ILE A 50 1.533 -1.939 -7.938 1.00 0.50 C ATOM 497 CG1 ILE A 50 2.110 -3.229 -8.530 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.656 -1.221 -8.954 1.00 0.62 C ATOM 499 CD1 ILE A 50 1.058 -4.241 -8.934 1.00 1.31 C ATOM 0 H ILE A 50 2.810 -1.586 -5.447 1.00 0.39 H new ATOM 0 HA ILE A 50 3.392 -0.906 -8.258 1.00 0.43 H new ATOM 0 HB ILE A 50 0.910 -2.203 -7.083 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.714 -2.979 -9.402 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.778 -3.685 -7.800 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.138 -1.889 -9.286 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.217 -0.336 -8.494 1.00 0.62 H new ATOM 0 HG23 ILE A 50 1.261 -0.923 -9.811 1.00 0.62 H new ATOM 0 HD11 ILE A 50 1.544 -5.127 -9.344 1.00 1.31 H new ATOM 0 HD12 ILE A 50 0.469 -4.522 -8.061 1.00 1.31 H new ATOM 0 HD13 ILE A 50 0.404 -3.804 -9.688 1.00 1.31 H new ATOM 511 N THR A 51 2.342 1.337 -7.924 1.00 0.48 N ATOM 512 CA THR A 51 1.821 2.668 -7.686 1.00 0.52 C ATOM 513 C THR A 51 0.501 2.883 -8.410 1.00 0.56 C ATOM 514 O THR A 51 0.383 2.640 -9.613 1.00 0.66 O ATOM 515 CB THR A 51 2.830 3.747 -8.103 1.00 0.63 C ATOM 516 OG1 THR A 51 3.465 3.379 -9.335 1.00 1.19 O ATOM 517 CG2 THR A 51 3.873 3.943 -7.018 1.00 1.20 C ATOM 0 H THR A 51 2.891 1.241 -8.778 1.00 0.48 H new ATOM 0 HA THR A 51 1.646 2.755 -6.614 1.00 0.52 H new ATOM 0 HB THR A 51 2.296 4.686 -8.247 1.00 0.63 H new ATOM 0 HG1 THR A 51 4.105 4.074 -9.593 1.00 1.19 H new ATOM 0 HG21 THR A 51 4.581 4.711 -7.329 1.00 1.20 H new ATOM 0 HG22 THR A 51 3.384 4.253 -6.095 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.404 3.006 -6.851 1.00 1.20 H new ATOM 525 N VAL A 52 -0.485 3.330 -7.658 1.00 0.68 N ATOM 526 CA VAL A 52 -1.816 3.567 -8.179 1.00 0.78 C ATOM 527 C VAL A 52 -2.030 5.058 -8.411 1.00 0.85 C ATOM 528 O VAL A 52 -1.424 5.883 -7.724 1.00 1.66 O ATOM 529 CB VAL A 52 -2.882 3.038 -7.184 1.00 1.35 C ATOM 530 CG1 VAL A 52 -4.293 3.439 -7.597 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.776 1.526 -7.053 1.00 1.95 C ATOM 0 H VAL A 52 -0.385 3.540 -6.665 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.918 3.038 -9.127 1.00 0.78 H new ATOM 0 HB VAL A 52 -2.684 3.495 -6.215 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -5.009 3.049 -6.874 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -4.367 4.526 -7.631 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -4.514 3.030 -8.583 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -3.530 1.168 -6.352 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -2.938 1.064 -8.027 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.784 1.261 -6.686 1.00 1.95 H new ATOM 541 N PRO A 53 -2.853 5.423 -9.415 1.00 0.73 N ATOM 542 CA PRO A 53 -3.376 6.779 -9.554 1.00 0.90 C ATOM 543 C PRO A 53 -3.944 7.294 -8.232 1.00 0.88 C ATOM 544 O PRO A 53 -4.261 6.517 -7.332 1.00 1.64 O ATOM 545 CB PRO A 53 -4.490 6.645 -10.607 1.00 1.83 C ATOM 546 CG PRO A 53 -4.654 5.179 -10.830 1.00 2.29 C ATOM 547 CD PRO A 53 -3.323 4.566 -10.509 1.00 1.49 C ATOM 0 HA PRO A 53 -2.603 7.491 -9.843 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -5.419 7.095 -10.255 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -4.219 7.155 -11.532 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -5.437 4.771 -10.190 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -4.943 4.970 -11.860 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -3.416 3.525 -10.201 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -2.647 4.586 -11.364 1.00 1.49 H new ATOM 555 N GLY A 54 -4.090 8.601 -8.144 1.00 1.49 N ATOM 556 CA GLY A 54 -4.390 9.273 -6.887 1.00 2.14 C ATOM 557 C GLY A 54 -5.757 8.957 -6.291 1.00 1.80 C ATOM 558 O GLY A 54 -6.208 9.657 -5.385 1.00 2.08 O ATOM 0 H GLY A 54 -4.005 9.232 -8.941 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -3.624 9.006 -6.159 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -4.320 10.349 -7.043 1.00 2.14 H new ATOM 562 N SER A 55 -6.423 7.929 -6.789 1.00 1.36 N ATOM 563 CA SER A 55 -7.687 7.498 -6.222 1.00 0.97 C ATOM 564 C SER A 55 -7.464 6.463 -5.125 1.00 0.64 C ATOM 565 O SER A 55 -6.841 5.423 -5.349 1.00 0.50 O ATOM 566 CB SER A 55 -8.569 6.896 -7.290 1.00 1.19 C ATOM 567 OG SER A 55 -7.834 5.980 -8.087 1.00 1.75 O ATOM 0 H SER A 55 -6.108 7.377 -7.587 1.00 1.36 H new ATOM 0 HA SER A 55 -8.174 8.375 -5.797 1.00 0.97 H new ATOM 0 HB2 SER A 55 -9.414 6.387 -6.827 1.00 1.19 H new ATOM 0 HB3 SER A 55 -8.979 7.686 -7.919 1.00 1.19 H new ATOM 0 HG SER A 55 -8.421 5.598 -8.772 1.00 1.75 H new ATOM 573 N PRO A 56 -8.002 6.734 -3.934 1.00 0.66 N ATOM 574 CA PRO A 56 -7.783 5.903 -2.746 1.00 0.58 C ATOM 575 C PRO A 56 -8.503 4.557 -2.791 1.00 0.53 C ATOM 576 O PRO A 56 -7.918 3.522 -2.473 1.00 0.62 O ATOM 577 CB PRO A 56 -8.334 6.783 -1.631 1.00 0.70 C ATOM 578 CG PRO A 56 -9.416 7.564 -2.279 1.00 1.09 C ATOM 579 CD PRO A 56 -8.891 7.879 -3.647 1.00 0.87 C ATOM 0 HA PRO A 56 -6.736 5.623 -2.631 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.716 6.184 -0.804 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -7.563 7.436 -1.222 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -10.341 6.990 -2.332 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -9.637 8.474 -1.720 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -9.695 7.959 -4.379 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -8.349 8.825 -3.663 1.00 0.87 H new ATOM 587 N GLU A 57 -9.765 4.568 -3.193 1.00 0.62 N ATOM 588 CA GLU A 57 -10.572 3.357 -3.182 1.00 0.80 C ATOM 589 C GLU A 57 -10.164 2.408 -4.298 1.00 0.67 C ATOM 590 O GLU A 57 -10.190 1.192 -4.125 1.00 0.67 O ATOM 591 CB GLU A 57 -12.072 3.684 -3.256 1.00 1.14 C ATOM 592 CG GLU A 57 -12.419 4.978 -3.987 1.00 1.80 C ATOM 593 CD GLU A 57 -12.072 4.959 -5.457 1.00 1.95 C ATOM 594 OE1 GLU A 57 -12.839 4.370 -6.246 1.00 2.06 O ATOM 595 OE2 GLU A 57 -11.039 5.549 -5.833 1.00 2.70 O ATOM 0 H GLU A 57 -10.251 5.399 -3.530 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.388 2.852 -2.234 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -12.584 2.858 -3.750 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -12.466 3.742 -2.241 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -13.486 5.171 -3.878 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -11.894 5.806 -3.510 1.00 1.80 H new ATOM 602 N GLU A 58 -9.759 2.967 -5.431 1.00 0.61 N ATOM 603 CA GLU A 58 -9.338 2.167 -6.572 1.00 0.56 C ATOM 604 C GLU A 58 -8.130 1.311 -6.205 1.00 0.50 C ATOM 605 O GLU A 58 -7.999 0.169 -6.650 1.00 0.54 O ATOM 606 CB GLU A 58 -8.997 3.068 -7.759 1.00 0.62 C ATOM 607 CG GLU A 58 -8.798 2.308 -9.059 1.00 1.18 C ATOM 608 CD GLU A 58 -10.070 1.637 -9.529 1.00 1.57 C ATOM 609 OE1 GLU A 58 -10.504 0.660 -8.887 1.00 2.30 O ATOM 610 OE2 GLU A 58 -10.643 2.084 -10.542 1.00 2.01 O ATOM 0 H GLU A 58 -9.713 3.974 -5.584 1.00 0.61 H new ATOM 0 HA GLU A 58 -10.162 1.511 -6.853 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -9.796 3.798 -7.892 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -8.089 3.627 -7.532 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -8.445 2.994 -9.829 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -8.021 1.556 -8.923 1.00 1.18 H new ATOM 617 N ALA A 59 -7.257 1.869 -5.376 1.00 0.52 N ATOM 618 CA ALA A 59 -6.068 1.163 -4.929 1.00 0.59 C ATOM 619 C ALA A 59 -6.434 0.004 -4.019 1.00 0.50 C ATOM 620 O ALA A 59 -5.832 -1.064 -4.085 1.00 0.50 O ATOM 621 CB ALA A 59 -5.130 2.111 -4.211 1.00 0.78 C ATOM 0 H ALA A 59 -7.353 2.812 -5.000 1.00 0.52 H new ATOM 0 HA ALA A 59 -5.563 0.763 -5.808 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -4.244 1.567 -3.882 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.833 2.912 -4.888 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.636 2.537 -3.345 1.00 0.78 H new ATOM 627 N ILE A 60 -7.432 0.216 -3.174 1.00 0.51 N ATOM 628 CA ILE A 60 -7.885 -0.822 -2.263 1.00 0.52 C ATOM 629 C ILE A 60 -8.621 -1.914 -3.032 1.00 0.50 C ATOM 630 O ILE A 60 -8.550 -3.090 -2.682 1.00 0.52 O ATOM 631 CB ILE A 60 -8.790 -0.247 -1.155 1.00 0.63 C ATOM 632 CG1 ILE A 60 -8.067 0.894 -0.435 1.00 0.79 C ATOM 633 CG2 ILE A 60 -9.179 -1.339 -0.165 1.00 0.74 C ATOM 634 CD1 ILE A 60 -8.883 1.539 0.660 1.00 1.03 C ATOM 0 H ILE A 60 -7.942 1.096 -3.101 1.00 0.51 H new ATOM 0 HA ILE A 60 -7.005 -1.253 -1.784 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.701 0.143 -1.609 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -7.140 0.512 -0.007 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -7.791 1.655 -1.165 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -9.818 -0.916 0.611 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.718 -2.129 -0.688 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -8.280 -1.753 0.291 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -8.304 2.338 1.123 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -9.798 1.953 0.236 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -9.137 0.792 1.412 1.00 1.03 H new ATOM 646 N ARG A 61 -9.311 -1.520 -4.098 1.00 0.51 N ATOM 647 CA ARG A 61 -9.943 -2.485 -4.990 1.00 0.57 C ATOM 648 C ARG A 61 -8.875 -3.301 -5.705 1.00 0.55 C ATOM 649 O ARG A 61 -9.035 -4.503 -5.923 1.00 0.67 O ATOM 650 CB ARG A 61 -10.826 -1.778 -6.018 1.00 0.63 C ATOM 651 CG ARG A 61 -11.941 -0.954 -5.404 1.00 0.68 C ATOM 652 CD ARG A 61 -12.791 -0.293 -6.476 1.00 0.85 C ATOM 653 NE ARG A 61 -13.593 -1.268 -7.213 1.00 1.75 N ATOM 654 CZ ARG A 61 -13.583 -1.405 -8.539 1.00 2.33 C ATOM 655 NH1 ARG A 61 -12.738 -0.705 -9.287 1.00 2.28 N ATOM 656 NH2 ARG A 61 -14.402 -2.272 -9.118 1.00 3.35 N ATOM 0 H ARG A 61 -9.446 -0.545 -4.364 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.570 -3.147 -4.393 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -10.203 -1.128 -6.633 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -11.262 -2.524 -6.683 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.568 -1.592 -4.782 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.516 -0.191 -4.752 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.449 0.444 -6.015 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -12.146 0.246 -7.170 1.00 0.85 H new ATOM 0 HE ARG A 61 -14.202 -1.886 -6.676 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -12.087 -0.054 -8.848 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -12.740 -0.818 -10.301 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -15.037 -2.832 -8.549 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -14.397 -2.379 -10.132 1.00 3.35 H new ATOM 670 N LEU A 62 -7.783 -2.631 -6.059 1.00 0.47 N ATOM 671 CA LEU A 62 -6.639 -3.283 -6.679 1.00 0.50 C ATOM 672 C LEU A 62 -6.018 -4.251 -5.676 1.00 0.43 C ATOM 673 O LEU A 62 -5.681 -5.387 -6.011 1.00 0.45 O ATOM 674 CB LEU A 62 -5.615 -2.220 -7.112 1.00 0.59 C ATOM 675 CG LEU A 62 -4.798 -2.524 -8.378 1.00 0.69 C ATOM 676 CD1 LEU A 62 -3.982 -3.794 -8.225 1.00 1.22 C ATOM 677 CD2 LEU A 62 -5.707 -2.616 -9.595 1.00 1.03 C ATOM 0 H LEU A 62 -7.668 -1.626 -5.924 1.00 0.47 H new ATOM 0 HA LEU A 62 -6.955 -3.839 -7.562 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -6.145 -1.280 -7.267 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.919 -2.062 -6.288 1.00 0.59 H new ATOM 0 HG LEU A 62 -4.101 -1.699 -8.525 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -3.418 -3.976 -9.140 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -3.292 -3.684 -7.389 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -4.649 -4.635 -8.037 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -5.109 -2.832 -10.480 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -6.435 -3.413 -9.446 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -6.229 -1.669 -9.732 1.00 1.03 H new ATOM 689 N ALA A 63 -5.888 -3.787 -4.437 1.00 0.41 N ATOM 690 CA ALA A 63 -5.383 -4.609 -3.347 1.00 0.42 C ATOM 691 C ALA A 63 -6.264 -5.831 -3.139 1.00 0.46 C ATOM 692 O ALA A 63 -5.767 -6.941 -2.973 1.00 0.49 O ATOM 693 CB ALA A 63 -5.306 -3.791 -2.067 1.00 0.49 C ATOM 0 H ALA A 63 -6.129 -2.835 -4.163 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.382 -4.951 -3.609 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.927 -4.416 -1.258 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.636 -2.944 -2.216 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.300 -3.426 -1.808 1.00 0.49 H new ATOM 699 N GLN A 64 -7.575 -5.611 -3.160 1.00 0.52 N ATOM 700 CA GLN A 64 -8.545 -6.689 -3.026 1.00 0.64 C ATOM 701 C GLN A 64 -8.335 -7.738 -4.115 1.00 0.62 C ATOM 702 O GLN A 64 -8.394 -8.939 -3.849 1.00 0.69 O ATOM 703 CB GLN A 64 -9.970 -6.127 -3.091 1.00 0.77 C ATOM 704 CG GLN A 64 -11.058 -7.176 -2.913 1.00 1.11 C ATOM 705 CD GLN A 64 -10.980 -7.877 -1.571 1.00 1.39 C ATOM 706 OE1 GLN A 64 -11.572 -7.431 -0.590 1.00 1.95 O ATOM 707 NE2 GLN A 64 -10.256 -8.985 -1.523 1.00 2.12 N ATOM 0 H GLN A 64 -7.991 -4.686 -3.270 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.401 -7.168 -2.058 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -10.085 -5.365 -2.320 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.111 -5.632 -4.052 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -12.034 -6.702 -3.015 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -10.978 -7.915 -3.710 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -9.781 -9.320 -2.361 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -10.174 -9.503 -0.648 1.00 2.12 H new ATOM 716 N GLU A 65 -8.076 -7.271 -5.334 1.00 0.58 N ATOM 717 CA GLU A 65 -7.794 -8.160 -6.454 1.00 0.63 C ATOM 718 C GLU A 65 -6.533 -8.971 -6.209 1.00 0.55 C ATOM 719 O GLU A 65 -6.565 -10.198 -6.237 1.00 0.62 O ATOM 720 CB GLU A 65 -7.648 -7.370 -7.752 1.00 0.69 C ATOM 721 CG GLU A 65 -8.961 -7.130 -8.468 1.00 1.24 C ATOM 722 CD GLU A 65 -9.664 -8.424 -8.817 1.00 1.50 C ATOM 723 OE1 GLU A 65 -10.850 -8.570 -8.459 1.00 2.21 O ATOM 724 OE2 GLU A 65 -9.029 -9.309 -9.437 1.00 1.95 O ATOM 0 H GLU A 65 -8.056 -6.279 -5.570 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.638 -8.844 -6.546 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -7.183 -6.409 -7.532 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -6.973 -7.906 -8.419 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -9.611 -6.523 -7.838 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -8.778 -6.560 -9.379 1.00 1.24 H new ATOM 731 N ILE A 66 -5.427 -8.282 -5.957 1.00 0.46 N ATOM 732 CA ILE A 66 -4.148 -8.947 -5.747 1.00 0.46 C ATOM 733 C ILE A 66 -4.231 -9.917 -4.575 1.00 0.43 C ATOM 734 O ILE A 66 -3.661 -11.001 -4.618 1.00 0.48 O ATOM 735 CB ILE A 66 -3.007 -7.939 -5.499 1.00 0.54 C ATOM 736 CG1 ILE A 66 -2.871 -6.982 -6.687 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.695 -8.671 -5.254 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.732 -5.995 -6.546 1.00 0.53 C ATOM 0 H ILE A 66 -5.390 -7.265 -5.893 1.00 0.46 H new ATOM 0 HA ILE A 66 -3.924 -9.497 -6.661 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.249 -7.355 -4.611 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.725 -7.565 -7.597 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -3.804 -6.432 -6.808 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -0.900 -7.945 -5.081 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.795 -9.315 -4.380 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.449 -9.278 -6.125 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.698 -5.351 -7.425 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -1.886 -5.386 -5.655 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -0.790 -6.537 -6.457 1.00 0.53 H new ATOM 750 N ALA A 67 -4.966 -9.528 -3.543 1.00 0.44 N ATOM 751 CA ALA A 67 -5.115 -10.354 -2.355 1.00 0.51 C ATOM 752 C ALA A 67 -5.782 -11.688 -2.681 1.00 0.55 C ATOM 753 O ALA A 67 -5.242 -12.754 -2.373 1.00 0.63 O ATOM 754 CB ALA A 67 -5.906 -9.611 -1.288 1.00 0.60 C ATOM 0 H ALA A 67 -5.470 -8.642 -3.505 1.00 0.44 H new ATOM 0 HA ALA A 67 -4.117 -10.567 -1.971 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -6.009 -10.242 -0.406 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.382 -8.694 -1.019 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.895 -9.364 -1.674 1.00 0.60 H new ATOM 760 N GLU A 68 -6.947 -11.632 -3.320 1.00 0.60 N ATOM 761 CA GLU A 68 -7.709 -12.843 -3.618 1.00 0.73 C ATOM 762 C GLU A 68 -7.040 -13.670 -4.716 1.00 0.73 C ATOM 763 O GLU A 68 -7.193 -14.891 -4.763 1.00 0.87 O ATOM 764 CB GLU A 68 -9.145 -12.497 -4.023 1.00 0.83 C ATOM 765 CG GLU A 68 -9.240 -11.614 -5.255 1.00 1.10 C ATOM 766 CD GLU A 68 -10.664 -11.405 -5.718 1.00 1.71 C ATOM 767 OE1 GLU A 68 -11.335 -10.485 -5.211 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.117 -12.159 -6.609 1.00 2.22 O ATOM 0 H GLU A 68 -7.383 -10.767 -3.640 1.00 0.60 H new ATOM 0 HA GLU A 68 -7.734 -13.443 -2.708 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.693 -13.421 -4.207 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.637 -11.995 -3.189 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -8.788 -10.646 -5.038 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -8.662 -12.062 -6.063 1.00 1.10 H new ATOM 775 N LYS A 69 -6.296 -13.005 -5.593 1.00 0.65 N ATOM 776 CA LYS A 69 -5.629 -13.682 -6.699 1.00 0.71 C ATOM 777 C LYS A 69 -4.219 -14.118 -6.307 1.00 0.73 C ATOM 778 O LYS A 69 -3.469 -14.634 -7.138 1.00 0.92 O ATOM 779 CB LYS A 69 -5.549 -12.769 -7.929 1.00 0.73 C ATOM 780 CG LYS A 69 -6.895 -12.292 -8.461 1.00 0.77 C ATOM 781 CD LYS A 69 -7.814 -13.447 -8.817 1.00 1.29 C ATOM 782 CE LYS A 69 -9.004 -12.980 -9.647 1.00 1.73 C ATOM 783 NZ LYS A 69 -9.763 -11.879 -8.992 1.00 2.41 N ATOM 0 H LYS A 69 -6.140 -11.998 -5.559 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.220 -14.565 -6.942 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -4.944 -11.898 -7.678 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.028 -13.301 -8.725 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.377 -11.664 -7.712 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -6.736 -11.672 -9.343 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -7.255 -14.200 -9.373 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -8.171 -13.924 -7.904 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -8.652 -12.644 -10.622 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -9.673 -13.823 -9.823 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -10.617 -11.668 -9.547 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -10.037 -12.169 -8.032 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -9.166 -11.029 -8.940 1.00 2.41 H new ATOM 797 N ALA A 70 -3.857 -13.906 -5.049 1.00 0.67 N ATOM 798 CA ALA A 70 -2.511 -14.213 -4.581 1.00 0.71 C ATOM 799 C ALA A 70 -2.377 -15.672 -4.180 1.00 0.69 C ATOM 800 O ALA A 70 -3.233 -16.212 -3.478 1.00 0.68 O ATOM 801 CB ALA A 70 -2.139 -13.338 -3.399 1.00 0.78 C ATOM 0 H ALA A 70 -4.476 -13.523 -4.334 1.00 0.67 H new ATOM 0 HA ALA A 70 -1.833 -14.014 -5.411 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.131 -13.585 -3.067 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.177 -12.290 -3.696 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -2.842 -13.510 -2.584 1.00 0.78 H new ATOM 807 N PRO A 71 -1.304 -16.333 -4.632 1.00 0.84 N ATOM 808 CA PRO A 71 -0.993 -17.693 -4.208 1.00 0.90 C ATOM 809 C PRO A 71 -0.483 -17.740 -2.766 1.00 0.81 C ATOM 810 O PRO A 71 0.626 -17.289 -2.460 1.00 0.93 O ATOM 811 CB PRO A 71 0.097 -18.135 -5.189 1.00 1.19 C ATOM 812 CG PRO A 71 0.736 -16.871 -5.652 1.00 1.34 C ATOM 813 CD PRO A 71 -0.333 -15.815 -5.613 1.00 1.08 C ATOM 0 HA PRO A 71 -1.870 -18.340 -4.220 1.00 0.90 H new ATOM 0 HB2 PRO A 71 0.822 -18.789 -4.705 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -0.327 -18.692 -6.025 1.00 1.19 H new ATOM 0 HG2 PRO A 71 1.573 -16.600 -5.008 1.00 1.34 H new ATOM 0 HG3 PRO A 71 1.134 -16.984 -6.661 1.00 1.34 H new ATOM 0 HD2 PRO A 71 0.069 -14.850 -5.306 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -0.791 -15.673 -6.592 1.00 1.08 H new ATOM 821 N GLY A 72 -1.314 -18.263 -1.879 1.00 0.75 N ATOM 822 CA GLY A 72 -0.919 -18.433 -0.497 1.00 0.77 C ATOM 823 C GLY A 72 -1.223 -17.208 0.337 1.00 0.63 C ATOM 824 O GLY A 72 -1.912 -16.298 -0.132 1.00 0.62 O ATOM 0 H GLY A 72 -2.261 -18.575 -2.093 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -1.436 -19.295 -0.076 1.00 0.77 H new ATOM 0 HA3 GLY A 72 0.149 -18.648 -0.449 1.00 0.77 H new ATOM 828 N PRO A 73 -0.723 -17.155 1.583 1.00 0.61 N ATOM 829 CA PRO A 73 -0.928 -16.009 2.470 1.00 0.58 C ATOM 830 C PRO A 73 -0.378 -14.729 1.859 1.00 0.48 C ATOM 831 O PRO A 73 0.796 -14.654 1.492 1.00 0.54 O ATOM 832 CB PRO A 73 -0.148 -16.378 3.737 1.00 0.71 C ATOM 833 CG PRO A 73 -0.010 -17.861 3.683 1.00 0.90 C ATOM 834 CD PRO A 73 0.080 -18.208 2.225 1.00 0.73 C ATOM 0 HA PRO A 73 -1.984 -15.818 2.659 1.00 0.58 H new ATOM 0 HB2 PRO A 73 0.827 -15.891 3.757 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -0.680 -16.063 4.635 1.00 0.71 H new ATOM 0 HG2 PRO A 73 0.879 -18.191 4.220 1.00 0.90 H new ATOM 0 HG3 PRO A 73 -0.864 -18.351 4.150 1.00 0.90 H new ATOM 0 HD2 PRO A 73 1.111 -18.201 1.872 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -0.320 -19.201 2.021 1.00 0.73 H new ATOM 842 N VAL A 74 -1.230 -13.730 1.728 1.00 0.48 N ATOM 843 CA VAL A 74 -0.829 -12.480 1.119 1.00 0.46 C ATOM 844 C VAL A 74 -0.798 -11.365 2.156 1.00 0.44 C ATOM 845 O VAL A 74 -1.661 -11.282 3.032 1.00 0.56 O ATOM 846 CB VAL A 74 -1.761 -12.102 -0.055 1.00 0.62 C ATOM 847 CG1 VAL A 74 -3.175 -11.820 0.431 1.00 1.50 C ATOM 848 CG2 VAL A 74 -1.202 -10.917 -0.834 1.00 1.31 C ATOM 0 H VAL A 74 -2.202 -13.761 2.035 1.00 0.48 H new ATOM 0 HA VAL A 74 0.176 -12.612 0.719 1.00 0.46 H new ATOM 0 HB VAL A 74 -1.809 -12.956 -0.730 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -3.806 -11.557 -0.418 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -3.576 -12.708 0.920 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -3.158 -10.992 1.140 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -1.876 -10.671 -1.655 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.108 -10.057 -0.171 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -0.222 -11.175 -1.235 1.00 1.31 H new ATOM 858 N LYS A 75 0.231 -10.546 2.075 1.00 0.44 N ATOM 859 CA LYS A 75 0.387 -9.398 2.945 1.00 0.52 C ATOM 860 C LYS A 75 0.431 -8.140 2.092 1.00 0.42 C ATOM 861 O LYS A 75 1.451 -7.845 1.471 1.00 0.45 O ATOM 862 CB LYS A 75 1.678 -9.524 3.761 1.00 0.76 C ATOM 863 CG LYS A 75 1.754 -10.790 4.601 1.00 1.20 C ATOM 864 CD LYS A 75 3.135 -10.973 5.210 1.00 1.52 C ATOM 865 CE LYS A 75 3.207 -12.231 6.059 1.00 1.90 C ATOM 866 NZ LYS A 75 4.593 -12.524 6.504 1.00 2.58 N ATOM 0 H LYS A 75 0.987 -10.659 1.400 1.00 0.44 H new ATOM 0 HA LYS A 75 -0.453 -9.346 3.637 1.00 0.52 H new ATOM 0 HB2 LYS A 75 2.530 -9.499 3.081 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.768 -8.658 4.417 1.00 0.76 H new ATOM 0 HG2 LYS A 75 1.008 -10.747 5.395 1.00 1.20 H new ATOM 0 HG3 LYS A 75 1.511 -11.654 3.982 1.00 1.20 H new ATOM 0 HD2 LYS A 75 3.880 -11.026 4.416 1.00 1.52 H new ATOM 0 HD3 LYS A 75 3.382 -10.105 5.822 1.00 1.52 H new ATOM 0 HE2 LYS A 75 2.563 -12.117 6.931 1.00 1.90 H new ATOM 0 HE3 LYS A 75 2.823 -13.076 5.488 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 4.594 -13.380 7.094 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 5.200 -12.675 5.673 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 4.957 -11.722 7.057 1.00 2.58 H new ATOM 880 N VAL A 76 -0.675 -7.424 2.029 1.00 0.42 N ATOM 881 CA VAL A 76 -0.753 -6.231 1.203 1.00 0.39 C ATOM 882 C VAL A 76 -1.272 -5.044 2.007 1.00 0.38 C ATOM 883 O VAL A 76 -2.198 -5.174 2.811 1.00 0.50 O ATOM 884 CB VAL A 76 -1.645 -6.467 -0.043 1.00 0.53 C ATOM 885 CG1 VAL A 76 -3.022 -6.959 0.359 1.00 0.88 C ATOM 886 CG2 VAL A 76 -1.755 -5.203 -0.888 1.00 1.16 C ATOM 0 H VAL A 76 -1.531 -7.645 2.538 1.00 0.42 H new ATOM 0 HA VAL A 76 0.257 -6.003 0.861 1.00 0.39 H new ATOM 0 HB VAL A 76 -1.169 -7.239 -0.648 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -3.627 -7.116 -0.534 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -2.928 -7.898 0.904 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -3.502 -6.216 0.996 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -2.386 -5.399 -1.755 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -2.195 -4.404 -0.292 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -0.762 -4.902 -1.223 1.00 1.16 H new ATOM 896 N LEU A 77 -0.654 -3.892 1.806 1.00 0.35 N ATOM 897 CA LEU A 77 -1.101 -2.676 2.456 1.00 0.41 C ATOM 898 C LEU A 77 -1.178 -1.537 1.448 1.00 0.39 C ATOM 899 O LEU A 77 -0.377 -1.461 0.513 1.00 0.43 O ATOM 900 CB LEU A 77 -0.189 -2.297 3.640 1.00 0.54 C ATOM 901 CG LEU A 77 1.137 -1.606 3.298 1.00 0.62 C ATOM 902 CD1 LEU A 77 1.821 -1.126 4.567 1.00 0.90 C ATOM 903 CD2 LEU A 77 2.063 -2.532 2.526 1.00 1.35 C ATOM 0 H LEU A 77 0.157 -3.775 1.199 1.00 0.35 H new ATOM 0 HA LEU A 77 -2.098 -2.858 2.858 1.00 0.41 H new ATOM 0 HB2 LEU A 77 -0.751 -1.642 4.306 1.00 0.54 H new ATOM 0 HB3 LEU A 77 0.036 -3.205 4.200 1.00 0.54 H new ATOM 0 HG LEU A 77 0.912 -0.749 2.664 1.00 0.62 H new ATOM 0 HD11 LEU A 77 2.761 -0.637 4.311 1.00 0.90 H new ATOM 0 HD12 LEU A 77 1.173 -0.418 5.084 1.00 0.90 H new ATOM 0 HD13 LEU A 77 2.020 -1.978 5.217 1.00 0.90 H new ATOM 0 HD21 LEU A 77 2.993 -2.011 2.300 1.00 1.35 H new ATOM 0 HD22 LEU A 77 2.279 -3.415 3.128 1.00 1.35 H new ATOM 0 HD23 LEU A 77 1.582 -2.835 1.596 1.00 1.35 H new ATOM 915 N VAL A 78 -2.161 -0.674 1.631 1.00 0.37 N ATOM 916 CA VAL A 78 -2.348 0.474 0.761 1.00 0.36 C ATOM 917 C VAL A 78 -1.815 1.728 1.441 1.00 0.36 C ATOM 918 O VAL A 78 -2.110 1.982 2.609 1.00 0.38 O ATOM 919 CB VAL A 78 -3.837 0.668 0.401 1.00 0.40 C ATOM 920 CG1 VAL A 78 -4.022 1.840 -0.550 1.00 1.00 C ATOM 921 CG2 VAL A 78 -4.407 -0.607 -0.202 1.00 1.01 C ATOM 0 H VAL A 78 -2.848 -0.748 2.381 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.796 0.294 -0.162 1.00 0.36 H new ATOM 0 HB VAL A 78 -4.381 0.893 1.318 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -5.080 1.953 -0.786 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.656 2.752 -0.079 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -3.463 1.656 -1.467 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -5.457 -0.454 -0.450 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.854 -0.861 -1.106 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -4.319 -1.421 0.518 1.00 1.01 H new ATOM 931 N LEU A 79 -1.013 2.489 0.717 1.00 0.38 N ATOM 932 CA LEU A 79 -0.375 3.671 1.271 1.00 0.40 C ATOM 933 C LEU A 79 -0.945 4.941 0.658 1.00 0.37 C ATOM 934 O LEU A 79 -0.577 5.325 -0.452 1.00 0.41 O ATOM 935 CB LEU A 79 1.143 3.637 1.040 1.00 0.46 C ATOM 936 CG LEU A 79 1.923 2.541 1.780 1.00 0.58 C ATOM 937 CD1 LEU A 79 1.579 2.524 3.261 1.00 1.23 C ATOM 938 CD2 LEU A 79 1.683 1.176 1.156 1.00 1.37 C ATOM 0 H LEU A 79 -0.787 2.308 -0.261 1.00 0.38 H new ATOM 0 HA LEU A 79 -0.575 3.672 2.342 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.323 3.522 -0.029 1.00 0.46 H new ATOM 0 HB3 LEU A 79 1.554 4.604 1.330 1.00 0.46 H new ATOM 0 HG LEU A 79 2.984 2.773 1.683 1.00 0.58 H new ATOM 0 HD11 LEU A 79 2.147 1.737 3.757 1.00 1.23 H new ATOM 0 HD12 LEU A 79 1.830 3.488 3.704 1.00 1.23 H new ATOM 0 HD13 LEU A 79 0.513 2.335 3.385 1.00 1.23 H new ATOM 0 HD21 LEU A 79 2.249 0.422 1.702 1.00 1.37 H new ATOM 0 HD22 LEU A 79 0.621 0.937 1.202 1.00 1.37 H new ATOM 0 HD23 LEU A 79 2.007 1.190 0.115 1.00 1.37 H new ATOM 950 N ILE A 80 -1.846 5.581 1.378 1.00 0.41 N ATOM 951 CA ILE A 80 -2.366 6.876 0.973 1.00 0.43 C ATOM 952 C ILE A 80 -1.565 7.969 1.668 1.00 0.41 C ATOM 953 O ILE A 80 -0.981 7.731 2.725 1.00 0.42 O ATOM 954 CB ILE A 80 -3.868 7.028 1.309 1.00 0.54 C ATOM 955 CG1 ILE A 80 -4.117 6.782 2.801 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.699 6.075 0.463 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.553 7.011 3.227 1.00 1.40 C ATOM 0 H ILE A 80 -2.236 5.225 2.251 1.00 0.41 H new ATOM 0 HA ILE A 80 -2.267 6.961 -0.109 1.00 0.43 H new ATOM 0 HB ILE A 80 -4.171 8.049 1.078 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -3.835 5.757 3.043 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.467 7.437 3.381 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.754 6.194 0.711 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -4.547 6.299 -0.593 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -4.392 5.048 0.664 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -5.651 6.817 4.295 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.834 8.043 3.018 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -6.208 6.338 2.675 1.00 1.40 H new ATOM 969 N THR A 81 -1.497 9.149 1.072 1.00 0.60 N ATOM 970 CA THR A 81 -0.733 10.233 1.666 1.00 0.69 C ATOM 971 C THR A 81 -1.407 10.724 2.946 1.00 0.79 C ATOM 972 O THR A 81 -2.623 10.590 3.099 1.00 1.20 O ATOM 973 CB THR A 81 -0.536 11.401 0.679 1.00 1.13 C ATOM 974 OG1 THR A 81 -1.804 11.959 0.302 1.00 2.07 O ATOM 975 CG2 THR A 81 0.198 10.928 -0.567 1.00 1.92 C ATOM 0 H THR A 81 -1.955 9.378 0.190 1.00 0.60 H new ATOM 0 HA THR A 81 0.254 9.842 1.914 1.00 0.69 H new ATOM 0 HB THR A 81 0.059 12.167 1.176 1.00 1.13 H new ATOM 0 HG1 THR A 81 -1.662 12.700 -0.323 1.00 2.07 H new ATOM 0 HG21 THR A 81 0.328 11.765 -1.252 1.00 1.92 H new ATOM 0 HG22 THR A 81 1.175 10.534 -0.286 1.00 1.92 H new ATOM 0 HG23 THR A 81 -0.382 10.146 -1.056 1.00 1.92 H new ATOM 983 N GLY A 82 -0.601 11.281 3.849 1.00 0.73 N ATOM 984 CA GLY A 82 -1.066 11.670 5.174 1.00 1.09 C ATOM 985 C GLY A 82 -2.373 12.434 5.176 1.00 0.92 C ATOM 986 O GLY A 82 -3.369 11.968 5.734 1.00 1.03 O ATOM 0 H GLY A 82 0.387 11.473 3.682 1.00 0.73 H new ATOM 0 HA2 GLY A 82 -1.182 10.774 5.783 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -0.300 12.282 5.650 1.00 1.09 H new ATOM 990 N SER A 83 -2.378 13.607 4.571 1.00 1.03 N ATOM 991 CA SER A 83 -3.580 14.415 4.515 1.00 1.19 C ATOM 992 C SER A 83 -4.519 13.898 3.432 1.00 1.10 C ATOM 993 O SER A 83 -4.345 14.185 2.245 1.00 1.22 O ATOM 994 CB SER A 83 -3.217 15.879 4.266 1.00 1.61 C ATOM 995 OG SER A 83 -2.317 16.349 5.257 1.00 2.22 O ATOM 0 H SER A 83 -1.566 14.020 4.113 1.00 1.03 H new ATOM 0 HA SER A 83 -4.097 14.345 5.472 1.00 1.19 H new ATOM 0 HB2 SER A 83 -2.766 15.984 3.279 1.00 1.61 H new ATOM 0 HB3 SER A 83 -4.121 16.489 4.270 1.00 1.61 H new ATOM 0 HG SER A 83 -2.095 17.287 5.079 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.501 13.118 3.854 1.00 1.02 N ATOM 1002 CA ALA A 84 -6.508 12.596 2.950 1.00 0.95 C ATOM 1003 C ALA A 84 -7.754 13.461 3.013 1.00 0.97 C ATOM 1004 O ALA A 84 -8.284 13.723 4.096 1.00 1.13 O ATOM 1005 CB ALA A 84 -6.839 11.152 3.298 1.00 0.97 C ATOM 0 H ALA A 84 -5.621 12.832 4.826 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.116 12.618 1.933 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -7.596 10.776 2.610 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -5.939 10.542 3.216 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.219 11.102 4.318 1.00 0.97 H new ATOM 1011 N ASP A 85 -8.206 13.913 1.855 1.00 0.89 N ATOM 1012 CA ASP A 85 -9.382 14.766 1.768 1.00 0.93 C ATOM 1013 C ASP A 85 -10.619 13.995 2.213 1.00 0.81 C ATOM 1014 O ASP A 85 -10.672 12.782 2.024 1.00 0.71 O ATOM 1015 CB ASP A 85 -9.551 15.273 0.327 1.00 1.02 C ATOM 1016 CG ASP A 85 -10.814 16.085 0.118 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -10.774 17.319 0.311 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -11.849 15.496 -0.259 1.00 1.92 O ATOM 0 H ASP A 85 -7.773 13.702 0.956 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.254 15.624 2.428 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -8.688 15.883 0.061 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -9.560 14.420 -0.352 1.00 1.02 H new ATOM 1023 N PRO A 86 -11.591 14.664 2.861 1.00 0.92 N ATOM 1024 CA PRO A 86 -12.840 14.042 3.308 1.00 0.95 C ATOM 1025 C PRO A 86 -13.380 12.974 2.350 1.00 0.85 C ATOM 1026 O PRO A 86 -13.711 11.865 2.780 1.00 0.88 O ATOM 1027 CB PRO A 86 -13.787 15.232 3.371 1.00 1.11 C ATOM 1028 CG PRO A 86 -12.922 16.375 3.779 1.00 1.30 C ATOM 1029 CD PRO A 86 -11.537 16.088 3.251 1.00 1.11 C ATOM 0 HA PRO A 86 -12.711 13.504 4.247 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -14.259 15.416 2.406 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.588 15.064 4.090 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -13.303 17.312 3.373 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -12.907 16.480 4.864 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -11.294 16.726 2.401 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -10.776 16.265 4.011 1.00 1.11 H new ATOM 1037 N ASP A 87 -13.429 13.297 1.055 1.00 0.82 N ATOM 1038 CA ASP A 87 -13.990 12.389 0.051 1.00 0.86 C ATOM 1039 C ASP A 87 -13.086 11.176 -0.167 1.00 0.74 C ATOM 1040 O ASP A 87 -13.554 10.087 -0.499 1.00 0.79 O ATOM 1041 CB ASP A 87 -14.209 13.123 -1.275 1.00 1.02 C ATOM 1042 CG ASP A 87 -14.822 12.235 -2.343 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -14.130 11.925 -3.340 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -16.003 11.847 -2.193 1.00 2.21 O ATOM 0 H ASP A 87 -13.087 14.181 0.677 1.00 0.82 H new ATOM 0 HA ASP A 87 -14.951 12.036 0.425 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -14.858 13.982 -1.107 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -13.255 13.509 -1.633 1.00 1.02 H new ATOM 1049 N GLU A 88 -11.790 11.368 0.027 1.00 0.68 N ATOM 1050 CA GLU A 88 -10.834 10.277 -0.093 1.00 0.67 C ATOM 1051 C GLU A 88 -10.970 9.335 1.094 1.00 0.55 C ATOM 1052 O GLU A 88 -10.981 8.114 0.940 1.00 0.54 O ATOM 1053 CB GLU A 88 -9.397 10.805 -0.149 1.00 0.80 C ATOM 1054 CG GLU A 88 -9.131 11.777 -1.283 1.00 1.02 C ATOM 1055 CD GLU A 88 -7.675 12.201 -1.351 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -7.248 13.044 -0.532 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -6.949 11.694 -2.233 1.00 2.32 O ATOM 0 H GLU A 88 -11.376 12.268 0.268 1.00 0.68 H new ATOM 0 HA GLU A 88 -11.049 9.744 -1.019 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -9.166 11.296 0.796 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -8.715 9.960 -0.244 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -9.417 11.316 -2.228 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -9.758 12.659 -1.156 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.096 9.923 2.277 1.00 0.57 N ATOM 1065 CA LYS A 89 -11.137 9.160 3.516 1.00 0.62 C ATOM 1066 C LYS A 89 -12.414 8.331 3.616 1.00 0.59 C ATOM 1067 O LYS A 89 -12.383 7.190 4.079 1.00 0.64 O ATOM 1068 CB LYS A 89 -11.015 10.099 4.719 1.00 0.77 C ATOM 1069 CG LYS A 89 -10.861 9.372 6.047 1.00 1.34 C ATOM 1070 CD LYS A 89 -10.627 10.343 7.195 1.00 1.77 C ATOM 1071 CE LYS A 89 -11.822 11.256 7.414 1.00 2.39 C ATOM 1072 NZ LYS A 89 -11.593 12.209 8.531 1.00 2.81 N ATOM 0 H LYS A 89 -11.172 10.932 2.404 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.292 8.471 3.516 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -10.157 10.755 4.572 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -11.899 10.736 4.763 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -11.756 8.783 6.245 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -10.027 8.673 5.985 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -10.424 9.784 8.108 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -9.743 10.945 6.987 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -12.027 11.812 6.499 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -12.705 10.654 7.626 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -12.431 12.814 8.648 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -11.422 11.679 9.410 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -10.765 12.802 8.318 1.00 2.81 H new ATOM 1086 N THR A 90 -13.531 8.897 3.170 1.00 0.62 N ATOM 1087 CA THR A 90 -14.799 8.180 3.183 1.00 0.69 C ATOM 1088 C THR A 90 -14.721 6.934 2.317 1.00 0.62 C ATOM 1089 O THR A 90 -15.104 5.839 2.738 1.00 0.69 O ATOM 1090 CB THR A 90 -15.954 9.064 2.680 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.518 9.852 1.568 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.466 9.964 3.784 1.00 1.17 C ATOM 0 H THR A 90 -13.583 9.845 2.797 1.00 0.62 H new ATOM 0 HA THR A 90 -14.995 7.898 4.218 1.00 0.69 H new ATOM 0 HB THR A 90 -16.770 8.414 2.362 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.028 10.635 1.894 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.282 10.579 3.403 1.00 1.17 H new ATOM 0 HG22 THR A 90 -16.827 9.354 4.612 1.00 1.17 H new ATOM 0 HG23 THR A 90 -15.659 10.608 4.132 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.207 7.109 1.112 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.087 6.016 0.170 1.00 0.64 C ATOM 1102 C LYS A 91 -13.093 4.973 0.668 1.00 0.63 C ATOM 1103 O LYS A 91 -13.283 3.771 0.471 1.00 0.73 O ATOM 1104 CB LYS A 91 -13.652 6.550 -1.193 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.706 7.397 -1.878 1.00 1.06 C ATOM 1106 CD LYS A 91 -14.139 8.116 -3.091 1.00 1.51 C ATOM 1107 CE LYS A 91 -15.225 8.857 -3.848 1.00 1.83 C ATOM 1108 NZ LYS A 91 -14.667 9.777 -4.867 1.00 2.41 N ATOM 0 H LYS A 91 -13.865 8.005 0.764 1.00 0.57 H new ATOM 0 HA LYS A 91 -15.061 5.537 0.073 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -12.746 7.143 -1.069 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -13.397 5.710 -1.839 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -15.540 6.765 -2.185 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -15.102 8.128 -1.173 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -13.369 8.819 -2.773 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -13.658 7.395 -3.752 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -15.884 8.137 -4.333 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -15.835 9.423 -3.144 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -15.388 9.973 -5.590 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -14.383 10.668 -4.412 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -13.838 9.337 -5.315 1.00 2.41 H new ATOM 1122 N ALA A 92 -12.045 5.439 1.334 1.00 0.58 N ATOM 1123 CA ALA A 92 -11.011 4.554 1.837 1.00 0.67 C ATOM 1124 C ALA A 92 -11.531 3.735 3.005 1.00 0.68 C ATOM 1125 O ALA A 92 -11.285 2.537 3.082 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.779 5.345 2.254 1.00 0.74 C ATOM 0 H ALA A 92 -11.891 6.427 1.537 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.728 3.874 1.034 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -9.017 4.661 2.628 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.388 5.889 1.394 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -10.049 6.052 3.039 1.00 0.74 H new ATOM 1132 N LYS A 93 -12.274 4.381 3.898 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.752 3.719 5.101 1.00 0.71 C ATOM 1134 C LYS A 93 -13.724 2.590 4.757 1.00 0.70 C ATOM 1135 O LYS A 93 -13.738 1.549 5.415 1.00 0.79 O ATOM 1136 CB LYS A 93 -13.412 4.722 6.057 1.00 0.80 C ATOM 1137 CG LYS A 93 -13.643 4.155 7.450 1.00 1.09 C ATOM 1138 CD LYS A 93 -14.093 5.211 8.455 1.00 1.56 C ATOM 1139 CE LYS A 93 -15.604 5.400 8.475 1.00 2.00 C ATOM 1140 NZ LYS A 93 -16.106 6.125 7.282 1.00 2.44 N ATOM 0 H LYS A 93 -12.556 5.357 3.810 1.00 0.64 H new ATOM 0 HA LYS A 93 -11.888 3.285 5.604 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -12.785 5.610 6.132 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -14.366 5.040 5.638 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -14.396 3.368 7.396 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -12.722 3.692 7.805 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -13.754 4.926 9.451 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -13.616 6.161 8.215 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -16.087 4.425 8.532 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -15.886 5.949 9.374 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -16.979 6.635 7.527 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -15.387 6.804 6.961 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -16.304 5.445 6.521 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.515 2.790 3.710 1.00 0.66 N ATOM 1155 CA LYS A 94 -15.475 1.780 3.279 1.00 0.71 C ATOM 1156 C LYS A 94 -14.760 0.581 2.658 1.00 0.67 C ATOM 1157 O LYS A 94 -15.039 -0.571 3.000 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.461 2.372 2.266 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.374 3.449 2.838 1.00 1.36 C ATOM 1160 CD LYS A 94 -18.370 2.875 3.834 1.00 1.79 C ATOM 1161 CE LYS A 94 -19.317 3.946 4.356 1.00 2.57 C ATOM 1162 NZ LYS A 94 -20.353 3.382 5.262 1.00 2.85 N ATOM 0 H LYS A 94 -14.511 3.639 3.145 1.00 0.66 H new ATOM 0 HA LYS A 94 -16.025 1.445 4.158 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -15.899 2.793 1.433 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -17.076 1.568 1.862 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -16.771 4.214 3.327 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -17.913 3.938 2.026 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -18.945 2.080 3.358 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -17.833 2.425 4.669 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -18.746 4.707 4.888 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -19.802 4.442 3.515 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -20.976 4.145 5.594 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -20.916 2.674 4.748 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -19.892 2.931 6.078 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.829 0.863 1.755 1.00 0.60 N ATOM 1177 CA ALA A 95 -13.135 -0.182 1.014 1.00 0.60 C ATOM 1178 C ALA A 95 -12.128 -0.921 1.888 1.00 0.57 C ATOM 1179 O ALA A 95 -12.009 -2.144 1.804 1.00 0.57 O ATOM 1180 CB ALA A 95 -12.448 0.409 -0.207 1.00 0.63 C ATOM 0 H ALA A 95 -13.536 1.811 1.518 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.879 -0.909 0.688 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.933 -0.381 -0.753 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -13.192 0.872 -0.855 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.726 1.161 0.110 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.416 -0.181 2.734 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.395 -0.768 3.596 1.00 0.58 C ATOM 1188 C ALA A 96 -10.972 -1.885 4.451 1.00 0.56 C ATOM 1189 O ALA A 96 -10.480 -3.009 4.427 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.772 0.295 4.488 1.00 0.64 C ATOM 0 H ALA A 96 -11.528 0.827 2.841 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.623 -1.190 2.953 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -9.013 -0.162 5.123 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -9.311 1.065 3.869 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.544 0.745 5.112 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.041 -1.575 5.175 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.655 -2.528 6.093 1.00 0.63 C ATOM 1198 C GLU A 97 -13.149 -3.766 5.347 1.00 0.55 C ATOM 1199 O GLU A 97 -13.176 -4.867 5.900 1.00 0.58 O ATOM 1200 CB GLU A 97 -13.806 -1.861 6.844 1.00 0.80 C ATOM 1201 CG GLU A 97 -14.409 -2.724 7.938 1.00 1.46 C ATOM 1202 CD GLU A 97 -15.455 -1.983 8.737 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -16.627 -1.970 8.315 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -15.105 -1.399 9.786 1.00 2.39 O ATOM 0 H GLU A 97 -12.503 -0.666 5.144 1.00 0.57 H new ATOM 0 HA GLU A 97 -11.901 -2.849 6.812 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -13.448 -0.930 7.285 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.587 -1.597 6.131 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -14.856 -3.613 7.493 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -13.619 -3.066 8.606 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.526 -3.584 4.091 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.975 -4.692 3.263 1.00 0.57 C ATOM 1213 C GLU A 98 -12.796 -5.580 2.879 1.00 0.52 C ATOM 1214 O GLU A 98 -12.864 -6.805 2.983 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.670 -4.161 2.008 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.182 -5.251 1.080 1.00 1.40 C ATOM 1217 CD GLU A 98 -15.932 -4.690 -0.106 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.167 -4.513 -0.004 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -15.293 -4.409 -1.140 1.00 2.66 O ATOM 0 H GLU A 98 -13.530 -2.678 3.622 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.686 -5.289 3.833 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -15.507 -3.530 2.307 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -13.973 -3.528 1.459 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -14.341 -5.848 0.726 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -15.837 -5.921 1.637 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.708 -4.950 2.465 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.533 -5.670 1.995 1.00 0.49 C ATOM 1228 C ALA A 99 -9.757 -6.311 3.145 1.00 0.46 C ATOM 1229 O ALA A 99 -9.017 -7.273 2.937 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.636 -4.736 1.199 1.00 0.58 C ATOM 0 H ALA A 99 -11.613 -3.935 2.445 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.874 -6.478 1.348 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.759 -5.282 0.851 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -10.185 -4.347 0.342 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.319 -3.908 1.833 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.944 -5.796 4.362 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.239 -6.320 5.538 1.00 0.53 C ATOM 1238 C ARG A 100 -9.547 -7.799 5.769 1.00 0.51 C ATOM 1239 O ARG A 100 -8.814 -8.489 6.478 1.00 0.56 O ATOM 1240 CB ARG A 100 -9.584 -5.516 6.798 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.055 -4.090 6.777 1.00 1.22 C ATOM 1242 CD ARG A 100 -9.245 -3.394 8.115 1.00 1.52 C ATOM 1243 NE ARG A 100 -8.404 -3.975 9.160 1.00 2.17 N ATOM 1244 CZ ARG A 100 -8.146 -3.390 10.329 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -8.681 -2.211 10.623 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -7.351 -3.991 11.205 1.00 3.77 N ATOM 0 H ARG A 100 -10.575 -5.019 4.561 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.173 -6.218 5.336 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -10.667 -5.491 6.917 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -9.180 -6.031 7.669 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -7.996 -4.100 6.520 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -9.567 -3.525 5.998 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -9.011 -2.335 8.009 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -10.291 -3.461 8.413 1.00 1.52 H new ATOM 0 HE ARG A 100 -7.987 -4.889 8.983 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -9.294 -1.747 9.952 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -8.479 -1.769 11.520 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -6.940 -4.898 10.982 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -7.151 -3.546 12.101 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.620 -8.284 5.151 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.999 -9.690 5.254 1.00 0.58 C ATOM 1262 C LYS A 101 -9.962 -10.596 4.595 1.00 0.63 C ATOM 1263 O LYS A 101 -9.921 -11.795 4.863 1.00 0.81 O ATOM 1264 CB LYS A 101 -12.376 -9.938 4.623 1.00 0.74 C ATOM 1265 CG LYS A 101 -13.544 -9.673 5.562 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.635 -8.212 5.963 1.00 1.81 C ATOM 1267 CE LYS A 101 -14.714 -7.992 7.008 1.00 2.63 C ATOM 1268 NZ LYS A 101 -14.856 -6.558 7.358 1.00 3.24 N ATOM 0 H LYS A 101 -11.244 -7.722 4.572 1.00 0.51 H new ATOM 0 HA LYS A 101 -11.048 -9.932 6.316 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -12.480 -9.304 3.742 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.426 -10.971 4.280 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -14.473 -9.974 5.078 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -13.437 -10.288 6.456 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -12.674 -7.880 6.355 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -13.848 -7.604 5.084 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -15.665 -8.371 6.634 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -14.474 -8.563 7.905 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -14.668 -6.428 8.373 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -14.177 -5.997 6.806 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -15.823 -6.242 7.142 1.00 3.24 H new ATOM 1282 N TRP A 102 -9.122 -10.024 3.743 1.00 0.57 N ATOM 1283 CA TRP A 102 -8.087 -10.798 3.074 1.00 0.71 C ATOM 1284 C TRP A 102 -6.705 -10.251 3.426 1.00 0.64 C ATOM 1285 O TRP A 102 -5.756 -10.384 2.653 1.00 0.73 O ATOM 1286 CB TRP A 102 -8.307 -10.783 1.561 1.00 0.84 C ATOM 1287 CG TRP A 102 -8.019 -12.102 0.912 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -6.798 -12.591 0.548 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -8.976 -13.105 0.550 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -6.937 -13.833 -0.019 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -8.264 -14.170 -0.029 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -10.366 -13.205 0.662 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -8.894 -15.320 -0.497 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -10.991 -14.347 0.197 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -10.255 -15.392 -0.376 1.00 2.21 C ATOM 0 H TRP A 102 -9.137 -9.033 3.500 1.00 0.57 H new ATOM 0 HA TRP A 102 -8.144 -11.831 3.418 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -9.339 -10.500 1.353 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -7.671 -10.019 1.115 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -5.859 -12.076 0.686 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -6.176 -14.411 -0.375 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -10.941 -12.405 1.104 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -8.329 -16.127 -0.940 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -12.064 -14.435 0.277 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -10.772 -16.272 -0.729 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.619 -9.638 4.608 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.368 -9.075 5.130 1.00 0.64 C ATOM 1308 C ASN A 103 -4.900 -7.887 4.289 1.00 0.56 C ATOM 1309 O ASN A 103 -3.792 -7.881 3.748 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.266 -10.143 5.204 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.048 -9.679 5.986 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -3.162 -8.918 6.948 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -1.873 -10.124 5.573 1.00 2.00 N ATOM 0 H ASN A 103 -7.416 -9.517 5.233 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.570 -8.719 6.140 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.669 -11.043 5.668 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -3.961 -10.415 4.193 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -1.021 -9.838 6.055 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -1.819 -10.753 4.772 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.761 -6.886 4.175 1.00 0.46 N ATOM 1321 CA VAL A 104 -5.414 -5.649 3.489 1.00 0.45 C ATOM 1322 C VAL A 104 -5.550 -4.472 4.449 1.00 0.48 C ATOM 1323 O VAL A 104 -6.650 -4.147 4.891 1.00 0.63 O ATOM 1324 CB VAL A 104 -6.310 -5.399 2.257 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.858 -4.153 1.507 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -6.321 -6.609 1.331 1.00 0.99 C ATOM 0 H VAL A 104 -6.709 -6.906 4.550 1.00 0.46 H new ATOM 0 HA VAL A 104 -4.384 -5.745 3.146 1.00 0.45 H new ATOM 0 HB VAL A 104 -7.328 -5.238 2.611 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -6.503 -3.995 0.642 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.919 -3.288 2.168 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.829 -4.283 1.173 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.960 -6.404 0.472 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -5.307 -6.814 0.988 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.704 -7.476 1.870 1.00 0.99 H new ATOM 1336 N ARG A 105 -4.434 -3.843 4.779 1.00 0.45 N ATOM 1337 CA ARG A 105 -4.438 -2.729 5.722 1.00 0.48 C ATOM 1338 C ARG A 105 -4.022 -1.436 5.024 1.00 0.44 C ATOM 1339 O ARG A 105 -3.321 -1.468 4.017 1.00 0.51 O ATOM 1340 CB ARG A 105 -3.513 -3.027 6.905 1.00 0.59 C ATOM 1341 CG ARG A 105 -2.054 -3.216 6.519 1.00 1.28 C ATOM 1342 CD ARG A 105 -1.215 -3.656 7.707 1.00 1.72 C ATOM 1343 NE ARG A 105 -1.327 -2.733 8.834 1.00 2.38 N ATOM 1344 CZ ARG A 105 -0.843 -2.983 10.050 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -0.164 -4.098 10.286 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -1.024 -2.105 11.025 1.00 4.06 N ATOM 0 H ARG A 105 -3.513 -4.082 4.410 1.00 0.45 H new ATOM 0 HA ARG A 105 -5.451 -2.601 6.103 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -3.585 -2.211 7.624 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -3.864 -3.927 7.409 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -1.980 -3.959 5.725 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -1.659 -2.282 6.119 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -1.528 -4.651 8.022 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -0.171 -3.732 7.404 1.00 1.72 H new ATOM 0 HE ARG A 105 -1.804 -1.845 8.681 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -0.010 -4.770 9.534 1.00 3.33 H new ATOM 0 HH12 ARG A 105 0.204 -4.283 11.219 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -1.533 -1.240 10.844 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -0.654 -2.294 11.957 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.472 -0.303 5.544 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.175 0.984 4.927 1.00 0.48 C ATOM 1362 C VAL A 106 -3.355 1.865 5.865 1.00 0.50 C ATOM 1363 O VAL A 106 -3.741 2.092 7.013 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.467 1.730 4.517 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.141 3.052 3.835 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.323 0.859 3.610 1.00 1.58 C ATOM 0 H VAL A 106 -5.042 -0.247 6.388 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.592 0.779 4.029 1.00 0.48 H new ATOM 0 HB VAL A 106 -6.033 1.947 5.423 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.067 3.556 3.557 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -4.575 3.684 4.519 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -4.548 2.863 2.940 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -7.227 1.401 3.332 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -5.761 0.607 2.711 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -6.596 -0.056 4.136 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.220 2.346 5.373 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.371 3.252 6.134 1.00 0.58 C ATOM 1378 C ARG A 107 -1.204 4.576 5.400 1.00 0.49 C ATOM 1379 O ARG A 107 -1.389 4.650 4.185 1.00 0.48 O ATOM 1380 CB ARG A 107 0.004 2.629 6.387 1.00 0.74 C ATOM 1381 CG ARG A 107 0.001 1.543 7.445 1.00 1.02 C ATOM 1382 CD ARG A 107 1.404 1.044 7.738 1.00 0.90 C ATOM 1383 NE ARG A 107 1.446 0.233 8.954 1.00 1.58 N ATOM 1384 CZ ARG A 107 2.258 -0.805 9.138 1.00 2.15 C ATOM 1385 NH1 ARG A 107 3.086 -1.191 8.175 1.00 2.26 N ATOM 1386 NH2 ARG A 107 2.243 -1.456 10.293 1.00 3.00 N ATOM 0 H ARG A 107 -1.865 2.121 4.444 1.00 0.46 H new ATOM 0 HA ARG A 107 -1.856 3.435 7.093 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.380 2.212 5.453 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.698 3.414 6.688 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -0.447 1.928 8.361 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -0.619 0.711 7.111 1.00 1.02 H new ATOM 0 HD2 ARG A 107 1.764 0.455 6.895 1.00 0.90 H new ATOM 0 HD3 ARG A 107 2.078 1.894 7.844 1.00 0.90 H new ATOM 0 HE ARG A 107 0.810 0.480 9.712 1.00 1.58 H new ATOM 0 HH11 ARG A 107 3.103 -0.691 7.286 1.00 2.26 H new ATOM 0 HH12 ARG A 107 3.705 -1.988 8.324 1.00 2.26 H new ATOM 0 HH21 ARG A 107 1.610 -1.161 11.037 1.00 3.00 H new ATOM 0 HH22 ARG A 107 2.864 -2.252 10.438 1.00 3.00 H new ATOM 1400 N THR A 108 -0.861 5.616 6.145 1.00 0.56 N ATOM 1401 CA THR A 108 -0.644 6.930 5.570 1.00 0.51 C ATOM 1402 C THR A 108 0.844 7.260 5.496 1.00 0.52 C ATOM 1403 O THR A 108 1.604 6.949 6.416 1.00 0.66 O ATOM 1404 CB THR A 108 -1.370 8.018 6.379 1.00 0.59 C ATOM 1405 OG1 THR A 108 -1.271 7.739 7.784 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.831 8.116 5.970 1.00 0.68 C ATOM 0 H THR A 108 -0.727 5.572 7.155 1.00 0.56 H new ATOM 0 HA THR A 108 -1.053 6.909 4.560 1.00 0.51 H new ATOM 0 HB THR A 108 -0.890 8.974 6.169 1.00 0.59 H new ATOM 0 HG1 THR A 108 -1.735 8.438 8.290 1.00 0.86 H new ATOM 0 HG21 THR A 108 -3.322 8.892 6.557 1.00 0.68 H new ATOM 0 HG22 THR A 108 -2.896 8.366 4.911 1.00 0.68 H new ATOM 0 HG23 THR A 108 -3.324 7.160 6.149 1.00 0.68 H new ATOM 1414 N VAL A 109 1.255 7.874 4.394 1.00 0.47 N ATOM 1415 CA VAL A 109 2.645 8.260 4.205 1.00 0.55 C ATOM 1416 C VAL A 109 2.782 9.779 4.106 1.00 0.57 C ATOM 1417 O VAL A 109 2.018 10.441 3.401 1.00 0.62 O ATOM 1418 CB VAL A 109 3.263 7.594 2.952 1.00 0.67 C ATOM 1419 CG1 VAL A 109 3.203 6.082 3.074 1.00 1.51 C ATOM 1420 CG2 VAL A 109 2.565 8.046 1.677 1.00 1.05 C ATOM 0 H VAL A 109 0.642 8.116 3.615 1.00 0.47 H new ATOM 0 HA VAL A 109 3.193 7.910 5.080 1.00 0.55 H new ATOM 0 HB VAL A 109 4.306 7.906 2.891 1.00 0.67 H new ATOM 0 HG11 VAL A 109 3.641 5.628 2.185 1.00 1.51 H new ATOM 0 HG12 VAL A 109 3.760 5.766 3.956 1.00 1.51 H new ATOM 0 HG13 VAL A 109 2.164 5.766 3.169 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.025 7.558 0.818 1.00 1.05 H new ATOM 0 HG22 VAL A 109 1.510 7.777 1.725 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.659 9.127 1.574 1.00 1.05 H new ATOM 1430 N THR A 110 3.740 10.329 4.832 1.00 0.70 N ATOM 1431 CA THR A 110 3.960 11.769 4.829 1.00 0.84 C ATOM 1432 C THR A 110 5.341 12.118 4.266 1.00 0.84 C ATOM 1433 O THR A 110 5.586 13.249 3.846 1.00 0.97 O ATOM 1434 CB THR A 110 3.811 12.353 6.253 1.00 1.02 C ATOM 1435 OG1 THR A 110 3.853 13.784 6.218 1.00 1.55 O ATOM 1436 CG2 THR A 110 4.905 11.837 7.177 1.00 1.45 C ATOM 0 H THR A 110 4.378 9.804 5.430 1.00 0.70 H new ATOM 0 HA THR A 110 3.201 12.213 4.185 1.00 0.84 H new ATOM 0 HB THR A 110 2.845 12.030 6.640 1.00 1.02 H new ATOM 0 HG1 THR A 110 3.756 14.136 7.127 1.00 1.55 H new ATOM 0 HG21 THR A 110 4.774 12.265 8.171 1.00 1.45 H new ATOM 0 HG22 THR A 110 4.846 10.750 7.239 1.00 1.45 H new ATOM 0 HG23 THR A 110 5.880 12.126 6.783 1.00 1.45 H new ATOM 1444 N SER A 111 6.236 11.140 4.246 1.00 0.79 N ATOM 1445 CA SER A 111 7.603 11.370 3.814 1.00 0.85 C ATOM 1446 C SER A 111 8.237 10.067 3.345 1.00 0.76 C ATOM 1447 O SER A 111 7.789 8.982 3.729 1.00 0.69 O ATOM 1448 CB SER A 111 8.412 11.958 4.977 1.00 0.96 C ATOM 1449 OG SER A 111 8.368 11.102 6.110 1.00 1.52 O ATOM 0 H SER A 111 6.037 10.179 4.525 1.00 0.79 H new ATOM 0 HA SER A 111 7.601 12.073 2.981 1.00 0.85 H new ATOM 0 HB2 SER A 111 9.447 12.105 4.668 1.00 0.96 H new ATOM 0 HB3 SER A 111 8.016 12.938 5.242 1.00 0.96 H new ATOM 0 HG SER A 111 8.892 11.496 6.838 1.00 1.52 H new ATOM 1455 N PRO A 112 9.279 10.151 2.497 1.00 0.82 N ATOM 1456 CA PRO A 112 10.062 8.980 2.090 1.00 0.80 C ATOM 1457 C PRO A 112 10.779 8.353 3.285 1.00 0.70 C ATOM 1458 O PRO A 112 11.192 7.190 3.244 1.00 0.74 O ATOM 1459 CB PRO A 112 11.068 9.542 1.079 1.00 0.95 C ATOM 1460 CG PRO A 112 11.125 11.004 1.359 1.00 1.05 C ATOM 1461 CD PRO A 112 9.759 11.384 1.849 1.00 0.97 C ATOM 0 HA PRO A 112 9.442 8.188 1.670 1.00 0.80 H new ATOM 0 HB2 PRO A 112 12.048 9.079 1.199 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.748 9.349 0.055 1.00 0.95 H new ATOM 0 HG2 PRO A 112 11.885 11.229 2.108 1.00 1.05 H new ATOM 0 HG3 PRO A 112 11.387 11.563 0.461 1.00 1.05 H new ATOM 0 HD2 PRO A 112 9.800 12.218 2.550 1.00 0.97 H new ATOM 0 HD3 PRO A 112 9.108 11.688 1.030 1.00 0.97 H new ATOM 1469 N ASP A 113 10.924 9.139 4.348 1.00 0.67 N ATOM 1470 CA ASP A 113 11.459 8.644 5.607 1.00 0.66 C ATOM 1471 C ASP A 113 10.510 7.619 6.202 1.00 0.59 C ATOM 1472 O ASP A 113 10.897 6.485 6.475 1.00 0.63 O ATOM 1473 CB ASP A 113 11.666 9.791 6.602 1.00 0.74 C ATOM 1474 CG ASP A 113 12.789 10.724 6.205 1.00 1.73 C ATOM 1475 OD1 ASP A 113 13.934 10.502 6.646 1.00 2.48 O ATOM 1476 OD2 ASP A 113 12.535 11.694 5.460 1.00 2.44 O ATOM 0 H ASP A 113 10.676 10.128 4.359 1.00 0.67 H new ATOM 0 HA ASP A 113 12.424 8.178 5.409 1.00 0.66 H new ATOM 0 HB2 ASP A 113 10.741 10.361 6.688 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.877 9.376 7.587 1.00 0.74 H new ATOM 1481 N GLU A 114 9.256 8.018 6.376 1.00 0.57 N ATOM 1482 CA GLU A 114 8.237 7.112 6.880 1.00 0.60 C ATOM 1483 C GLU A 114 7.974 5.989 5.885 1.00 0.52 C ATOM 1484 O GLU A 114 7.687 4.866 6.281 1.00 0.52 O ATOM 1485 CB GLU A 114 6.941 7.863 7.182 1.00 0.73 C ATOM 1486 CG GLU A 114 7.020 8.733 8.426 1.00 1.18 C ATOM 1487 CD GLU A 114 7.281 7.926 9.684 1.00 1.99 C ATOM 1488 OE1 GLU A 114 6.321 7.336 10.226 1.00 2.63 O ATOM 1489 OE2 GLU A 114 8.446 7.883 10.140 1.00 2.70 O ATOM 0 H GLU A 114 8.923 8.961 6.175 1.00 0.57 H new ATOM 0 HA GLU A 114 8.607 6.675 7.808 1.00 0.60 H new ATOM 0 HB2 GLU A 114 6.685 8.488 6.327 1.00 0.73 H new ATOM 0 HB3 GLU A 114 6.132 7.142 7.303 1.00 0.73 H new ATOM 0 HG2 GLU A 114 7.813 9.470 8.300 1.00 1.18 H new ATOM 0 HG3 GLU A 114 6.087 9.285 8.539 1.00 1.18 H new ATOM 1496 N ALA A 115 8.079 6.297 4.596 1.00 0.55 N ATOM 1497 CA ALA A 115 7.897 5.298 3.550 1.00 0.58 C ATOM 1498 C ALA A 115 8.811 4.092 3.763 1.00 0.51 C ATOM 1499 O ALA A 115 8.356 2.953 3.754 1.00 0.51 O ATOM 1500 CB ALA A 115 8.141 5.911 2.179 1.00 0.70 C ATOM 0 H ALA A 115 8.290 7.233 4.251 1.00 0.55 H new ATOM 0 HA ALA A 115 6.866 4.949 3.602 1.00 0.58 H new ATOM 0 HB1 ALA A 115 8.001 5.151 1.410 1.00 0.70 H new ATOM 0 HB2 ALA A 115 7.437 6.727 2.015 1.00 0.70 H new ATOM 0 HB3 ALA A 115 9.160 6.295 2.128 1.00 0.70 H new ATOM 1506 N LYS A 116 10.096 4.342 3.988 1.00 0.51 N ATOM 1507 CA LYS A 116 11.051 3.251 4.160 1.00 0.51 C ATOM 1508 C LYS A 116 10.896 2.597 5.534 1.00 0.44 C ATOM 1509 O LYS A 116 11.429 1.513 5.779 1.00 0.49 O ATOM 1510 CB LYS A 116 12.491 3.740 3.963 1.00 0.64 C ATOM 1511 CG LYS A 116 12.989 4.680 5.051 1.00 1.38 C ATOM 1512 CD LYS A 116 14.465 5.007 4.873 1.00 1.43 C ATOM 1513 CE LYS A 116 14.733 5.727 3.559 1.00 1.80 C ATOM 1514 NZ LYS A 116 14.027 7.033 3.487 1.00 2.33 N ATOM 0 H LYS A 116 10.498 5.277 4.055 1.00 0.51 H new ATOM 0 HA LYS A 116 10.836 2.503 3.397 1.00 0.51 H new ATOM 0 HB2 LYS A 116 13.153 2.875 3.916 1.00 0.64 H new ATOM 0 HB3 LYS A 116 12.561 4.248 3.001 1.00 0.64 H new ATOM 0 HG2 LYS A 116 12.406 5.601 5.032 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.832 4.223 6.028 1.00 1.38 H new ATOM 0 HD2 LYS A 116 14.802 5.629 5.703 1.00 1.43 H new ATOM 0 HD3 LYS A 116 15.047 4.086 4.908 1.00 1.43 H new ATOM 0 HE2 LYS A 116 15.805 5.887 3.445 1.00 1.80 H new ATOM 0 HE3 LYS A 116 14.415 5.097 2.729 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 14.315 7.536 2.624 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 13.000 6.872 3.467 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 14.271 7.606 4.320 1.00 2.33 H new ATOM 1528 N ARG A 117 10.161 3.261 6.420 1.00 0.42 N ATOM 1529 CA ARG A 117 9.916 2.747 7.760 1.00 0.44 C ATOM 1530 C ARG A 117 9.098 1.463 7.711 1.00 0.43 C ATOM 1531 O ARG A 117 9.581 0.396 8.098 1.00 0.50 O ATOM 1532 CB ARG A 117 9.180 3.785 8.608 1.00 0.57 C ATOM 1533 CG ARG A 117 8.701 3.247 9.946 1.00 0.90 C ATOM 1534 CD ARG A 117 7.651 4.154 10.554 1.00 1.39 C ATOM 1535 NE ARG A 117 7.178 3.659 11.844 1.00 1.99 N ATOM 1536 CZ ARG A 117 6.480 4.390 12.712 1.00 2.83 C ATOM 1537 NH1 ARG A 117 6.172 5.655 12.436 1.00 3.30 N ATOM 1538 NH2 ARG A 117 6.082 3.849 13.857 1.00 3.61 N ATOM 0 H ARG A 117 9.723 4.162 6.231 1.00 0.42 H new ATOM 0 HA ARG A 117 10.884 2.532 8.213 1.00 0.44 H new ATOM 0 HB2 ARG A 117 9.841 4.634 8.783 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.323 4.158 8.048 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.289 2.247 9.813 1.00 0.90 H new ATOM 0 HG3 ARG A 117 9.546 3.155 10.628 1.00 0.90 H new ATOM 0 HD2 ARG A 117 8.065 5.154 10.680 1.00 1.39 H new ATOM 0 HD3 ARG A 117 6.808 4.242 9.869 1.00 1.39 H new ATOM 0 HE ARG A 117 7.395 2.695 12.096 1.00 1.99 H new ATOM 0 HH11 ARG A 117 6.471 6.072 11.554 1.00 3.30 H new ATOM 0 HH12 ARG A 117 5.637 6.208 13.106 1.00 3.30 H new ATOM 0 HH21 ARG A 117 6.311 2.878 14.069 1.00 3.61 H new ATOM 0 HH22 ARG A 117 5.547 4.404 14.525 1.00 3.61 H new ATOM 1552 N TRP A 118 7.864 1.563 7.223 1.00 0.43 N ATOM 1553 CA TRP A 118 6.969 0.419 7.220 1.00 0.51 C ATOM 1554 C TRP A 118 7.460 -0.659 6.258 1.00 0.51 C ATOM 1555 O TRP A 118 7.176 -1.832 6.452 1.00 0.60 O ATOM 1556 CB TRP A 118 5.522 0.825 6.902 1.00 0.59 C ATOM 1557 CG TRP A 118 5.402 1.855 5.826 1.00 0.89 C ATOM 1558 CD1 TRP A 118 5.324 3.201 6.004 1.00 0.98 C ATOM 1559 CD2 TRP A 118 5.338 1.629 4.415 1.00 1.69 C ATOM 1560 NE1 TRP A 118 5.244 3.831 4.792 1.00 1.51 N ATOM 1561 CE2 TRP A 118 5.246 2.889 3.798 1.00 2.00 C ATOM 1562 CE3 TRP A 118 5.358 0.487 3.614 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 5.177 3.040 2.418 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 5.287 0.636 2.245 1.00 3.18 C ATOM 1565 CH2 TRP A 118 5.199 1.905 1.657 1.00 3.39 C ATOM 0 H TRP A 118 7.468 2.417 6.829 1.00 0.43 H new ATOM 0 HA TRP A 118 6.974 0.002 8.227 1.00 0.51 H new ATOM 0 HB2 TRP A 118 4.963 -0.063 6.605 1.00 0.59 H new ATOM 0 HB3 TRP A 118 5.055 1.207 7.810 1.00 0.59 H new ATOM 0 HD1 TRP A 118 5.325 3.700 6.962 1.00 0.98 H new ATOM 0 HE1 TRP A 118 5.191 4.840 4.651 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.428 -0.495 4.058 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 5.109 4.018 1.964 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 5.299 -0.241 1.615 1.00 3.18 H new ATOM 0 HH2 TRP A 118 5.148 1.988 0.581 1.00 3.39 H new ATOM 1576 N ILE A 119 8.198 -0.258 5.223 1.00 0.48 N ATOM 1577 CA ILE A 119 8.792 -1.215 4.288 1.00 0.54 C ATOM 1578 C ILE A 119 9.760 -2.142 5.016 1.00 0.53 C ATOM 1579 O ILE A 119 9.683 -3.367 4.892 1.00 0.58 O ATOM 1580 CB ILE A 119 9.547 -0.504 3.139 1.00 0.60 C ATOM 1581 CG1 ILE A 119 8.573 0.289 2.273 1.00 0.67 C ATOM 1582 CG2 ILE A 119 10.312 -1.511 2.287 1.00 0.69 C ATOM 1583 CD1 ILE A 119 9.238 1.053 1.153 1.00 0.81 C ATOM 0 H ILE A 119 8.399 0.719 5.011 1.00 0.48 H new ATOM 0 HA ILE A 119 7.972 -1.793 3.861 1.00 0.54 H new ATOM 0 HB ILE A 119 10.266 0.186 3.581 1.00 0.60 H new ATOM 0 HG12 ILE A 119 7.839 -0.395 1.848 1.00 0.67 H new ATOM 0 HG13 ILE A 119 8.027 0.990 2.905 1.00 0.67 H new ATOM 0 HG21 ILE A 119 10.834 -0.988 1.486 1.00 0.69 H new ATOM 0 HG22 ILE A 119 11.036 -2.038 2.909 1.00 0.69 H new ATOM 0 HG23 ILE A 119 9.613 -2.228 1.856 1.00 0.69 H new ATOM 0 HD11 ILE A 119 8.482 1.592 0.581 1.00 0.81 H new ATOM 0 HD12 ILE A 119 9.952 1.763 1.571 1.00 0.81 H new ATOM 0 HD13 ILE A 119 9.761 0.356 0.497 1.00 0.81 H new ATOM 1595 N LYS A 120 10.659 -1.545 5.789 1.00 0.52 N ATOM 1596 CA LYS A 120 11.674 -2.296 6.517 1.00 0.57 C ATOM 1597 C LYS A 120 11.019 -3.205 7.558 1.00 0.56 C ATOM 1598 O LYS A 120 11.496 -4.309 7.829 1.00 0.61 O ATOM 1599 CB LYS A 120 12.651 -1.320 7.179 1.00 0.66 C ATOM 1600 CG LYS A 120 13.905 -1.974 7.731 1.00 1.08 C ATOM 1601 CD LYS A 120 14.872 -0.940 8.282 1.00 1.68 C ATOM 1602 CE LYS A 120 16.136 -1.586 8.820 1.00 2.25 C ATOM 1603 NZ LYS A 120 17.045 -0.590 9.444 1.00 2.76 N ATOM 0 H LYS A 120 10.705 -0.536 5.928 1.00 0.52 H new ATOM 0 HA LYS A 120 12.226 -2.929 5.822 1.00 0.57 H new ATOM 0 HB2 LYS A 120 12.940 -0.563 6.450 1.00 0.66 H new ATOM 0 HB3 LYS A 120 12.137 -0.803 7.990 1.00 0.66 H new ATOM 0 HG2 LYS A 120 13.634 -2.677 8.519 1.00 1.08 H new ATOM 0 HG3 LYS A 120 14.394 -2.549 6.945 1.00 1.08 H new ATOM 0 HD2 LYS A 120 15.132 -0.230 7.497 1.00 1.68 H new ATOM 0 HD3 LYS A 120 14.386 -0.374 9.076 1.00 1.68 H new ATOM 0 HE2 LYS A 120 15.871 -2.346 9.555 1.00 2.25 H new ATOM 0 HE3 LYS A 120 16.657 -2.095 8.009 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 17.896 -1.071 9.799 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 17.319 0.121 8.736 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 16.557 -0.122 10.234 1.00 2.76 H new ATOM 1617 N GLU A 121 9.914 -2.729 8.123 1.00 0.56 N ATOM 1618 CA GLU A 121 9.117 -3.518 9.058 1.00 0.63 C ATOM 1619 C GLU A 121 8.412 -4.661 8.332 1.00 0.67 C ATOM 1620 O GLU A 121 8.472 -5.817 8.754 1.00 0.79 O ATOM 1621 CB GLU A 121 8.073 -2.627 9.736 1.00 0.71 C ATOM 1622 CG GLU A 121 8.648 -1.662 10.757 1.00 1.18 C ATOM 1623 CD GLU A 121 9.064 -2.360 12.032 1.00 1.87 C ATOM 1624 OE1 GLU A 121 8.186 -2.648 12.870 1.00 2.50 O ATOM 1625 OE2 GLU A 121 10.269 -2.632 12.205 1.00 2.57 O ATOM 0 H GLU A 121 9.547 -1.793 7.948 1.00 0.56 H new ATOM 0 HA GLU A 121 9.786 -3.936 9.811 1.00 0.63 H new ATOM 0 HB2 GLU A 121 7.546 -2.057 8.971 1.00 0.71 H new ATOM 0 HB3 GLU A 121 7.335 -3.261 10.227 1.00 0.71 H new ATOM 0 HG2 GLU A 121 9.510 -1.151 10.327 1.00 1.18 H new ATOM 0 HG3 GLU A 121 7.907 -0.897 10.989 1.00 1.18 H new ATOM 1632 N PHE A 122 7.764 -4.316 7.226 1.00 0.65 N ATOM 1633 CA PHE A 122 6.971 -5.254 6.435 1.00 0.76 C ATOM 1634 C PHE A 122 7.833 -6.403 5.922 1.00 0.78 C ATOM 1635 O PHE A 122 7.346 -7.509 5.694 1.00 0.89 O ATOM 1636 CB PHE A 122 6.346 -4.502 5.255 1.00 0.86 C ATOM 1637 CG PHE A 122 5.070 -5.099 4.742 1.00 1.36 C ATOM 1638 CD1 PHE A 122 5.067 -5.913 3.622 1.00 2.24 C ATOM 1639 CD2 PHE A 122 3.869 -4.830 5.377 1.00 1.98 C ATOM 1640 CE1 PHE A 122 3.887 -6.447 3.145 1.00 2.95 C ATOM 1641 CE2 PHE A 122 2.688 -5.364 4.907 1.00 2.74 C ATOM 1642 CZ PHE A 122 2.697 -6.174 3.790 1.00 3.02 C ATOM 0 H PHE A 122 7.773 -3.369 6.848 1.00 0.65 H new ATOM 0 HA PHE A 122 6.189 -5.678 7.066 1.00 0.76 H new ATOM 0 HB2 PHE A 122 6.155 -3.472 5.557 1.00 0.86 H new ATOM 0 HB3 PHE A 122 7.069 -4.466 4.440 1.00 0.86 H new ATOM 0 HD1 PHE A 122 5.996 -6.132 3.117 1.00 2.24 H new ATOM 0 HD2 PHE A 122 3.857 -4.195 6.250 1.00 1.98 H new ATOM 0 HE1 PHE A 122 3.894 -7.078 2.268 1.00 2.95 H new ATOM 0 HE2 PHE A 122 1.758 -5.149 5.412 1.00 2.74 H new ATOM 0 HZ PHE A 122 1.773 -6.594 3.420 1.00 3.02 H new ATOM 1652 N SER A 123 9.119 -6.131 5.754 1.00 0.72 N ATOM 1653 CA SER A 123 10.062 -7.119 5.253 1.00 0.79 C ATOM 1654 C SER A 123 10.367 -8.181 6.315 1.00 0.81 C ATOM 1655 O SER A 123 10.910 -9.244 6.007 1.00 1.02 O ATOM 1656 CB SER A 123 11.352 -6.417 4.811 1.00 0.82 C ATOM 1657 OG SER A 123 12.272 -7.326 4.226 1.00 1.40 O ATOM 0 H SER A 123 9.536 -5.223 5.960 1.00 0.72 H new ATOM 0 HA SER A 123 9.615 -7.626 4.398 1.00 0.79 H new ATOM 0 HB2 SER A 123 11.111 -5.632 4.095 1.00 0.82 H new ATOM 0 HB3 SER A 123 11.816 -5.933 5.671 1.00 0.82 H new ATOM 0 HG SER A 123 13.081 -6.844 3.955 1.00 1.40 H new ATOM 1663 N GLU A 124 10.010 -7.895 7.562 1.00 0.80 N ATOM 1664 CA GLU A 124 10.286 -8.811 8.658 1.00 1.00 C ATOM 1665 C GLU A 124 9.022 -9.536 9.107 1.00 1.48 C ATOM 1666 O GLU A 124 9.055 -10.734 9.386 1.00 2.09 O ATOM 1667 CB GLU A 124 10.897 -8.059 9.836 1.00 1.88 C ATOM 1668 CG GLU A 124 12.131 -7.261 9.461 1.00 2.61 C ATOM 1669 CD GLU A 124 12.766 -6.579 10.649 1.00 3.54 C ATOM 1670 OE1 GLU A 124 12.086 -5.767 11.306 1.00 4.12 O ATOM 1671 OE2 GLU A 124 13.954 -6.840 10.921 1.00 4.14 O ATOM 0 H GLU A 124 9.530 -7.038 7.837 1.00 0.80 H new ATOM 0 HA GLU A 124 10.997 -9.555 8.298 1.00 1.00 H new ATOM 0 HB2 GLU A 124 10.150 -7.385 10.255 1.00 1.88 H new ATOM 0 HB3 GLU A 124 11.157 -8.772 10.618 1.00 1.88 H new ATOM 0 HG2 GLU A 124 12.860 -7.924 8.995 1.00 2.61 H new ATOM 0 HG3 GLU A 124 11.862 -6.511 8.717 1.00 2.61 H new ATOM 1678 N GLU A 125 7.915 -8.814 9.175 1.00 2.33 N ATOM 1679 CA GLU A 125 6.653 -9.407 9.596 1.00 3.47 C ATOM 1680 C GLU A 125 5.829 -9.851 8.388 1.00 4.34 C ATOM 1681 O GLU A 125 6.228 -10.836 7.732 1.00 4.92 O ATOM 1682 CB GLU A 125 5.860 -8.427 10.470 1.00 4.25 C ATOM 1683 CG GLU A 125 5.797 -7.014 9.916 1.00 4.82 C ATOM 1684 CD GLU A 125 4.852 -6.129 10.696 1.00 5.68 C ATOM 1685 OE1 GLU A 125 3.757 -5.818 10.175 1.00 6.29 O ATOM 1686 OE2 GLU A 125 5.191 -5.737 11.832 1.00 6.07 O ATOM 1687 OXT GLU A 125 4.782 -9.237 8.109 1.00 4.84 O ATOM 0 H GLU A 125 7.863 -7.821 8.946 1.00 2.33 H new ATOM 0 HA GLU A 125 6.875 -10.292 10.193 1.00 3.47 H new ATOM 0 HB2 GLU A 125 4.844 -8.804 10.591 1.00 4.25 H new ATOM 0 HB3 GLU A 125 6.309 -8.397 11.463 1.00 4.25 H new ATOM 0 HG2 GLU A 125 6.795 -6.576 9.931 1.00 4.82 H new ATOM 0 HG3 GLU A 125 5.480 -7.049 8.874 1.00 4.82 H new TER 1694 GLU A 125