USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 800 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= 0.611 K(o=1.1,f=-0.3) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.507 K(o=1.1,f=-1.2) USER MOD Set 2.1: A 19 GLN : amide:sc= 0.0326 K(o=0.55,f=-0.7) USER MOD Set 2.2: A 23 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00576) USER MOD Set 2.3: A 33 THR OG1 : rot 170:sc= 0.514 USER MOD Single : A 3 LYS NZ :NH3+ -140:sc= -0.217 (180deg=-2.05) USER MOD Single : A 9 SER OG : rot -72:sc= 0.96 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0425 K(o=-0.043,f=-0.61) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 78:sc= 0.316 USER MOD Single : A 24 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=-0.037) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 26 TYR OH : rot 100:sc= -1.36 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -37:sc= 0.353 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0.042) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -164:sc= -1.82 (180deg=-2.7) USER MOD Single : A 48 LYS NZ :NH3+ -109:sc= 0.736 (180deg=-1.16) USER MOD Single : A 50 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 52 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.21) USER MOD Single : A 59 ASN : amide:sc= -1.39 K(o=-1.4,f=-4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.6!) USER MOD Single : A 70 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.025) USER MOD Single : A 71 ASN : amide:sc=-0.00725 K(o=-0.0072,f=-0.68) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= 1 (180deg=0.598) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00777) USER MOD Single : A 85 SER OG : rot 134:sc= 0.513 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 88:sc= 0.955 USER MOD Single : A 93 GLN : amide:sc= -0.933 K(o=-0.93,f=-3.4) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -23:sc= 0.042 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 1.763 10.832 1.647 1.00 13.42 N ATOM 28 CA LYS A 3 1.196 9.747 2.488 1.00 53.04 C ATOM 29 C LYS A 3 0.916 8.503 1.625 1.00 41.12 C ATOM 30 O LYS A 3 0.404 8.619 0.508 1.00 71.54 O ATOM 31 CB LYS A 3 -0.100 10.228 3.212 1.00 62.43 C ATOM 32 CG LYS A 3 -0.793 9.150 4.089 1.00 74.22 C ATOM 33 CD LYS A 3 -2.018 9.645 4.907 1.00 60.05 C ATOM 34 CE LYS A 3 -3.154 10.278 4.062 1.00 70.14 C ATOM 35 NZ LYS A 3 -2.869 11.693 3.688 1.00 12.23 N ATOM 0 HA LYS A 3 1.925 9.480 3.254 1.00 53.04 H new ATOM 0 HB2 LYS A 3 0.148 11.083 3.840 1.00 62.43 H new ATOM 0 HB3 LYS A 3 -0.810 10.578 2.462 1.00 62.43 H new ATOM 0 HG2 LYS A 3 -1.114 8.332 3.444 1.00 74.22 H new ATOM 0 HG3 LYS A 3 -0.057 8.740 4.781 1.00 74.22 H new ATOM 0 HD2 LYS A 3 -2.427 8.804 5.467 1.00 60.05 H new ATOM 0 HD3 LYS A 3 -1.676 10.378 5.638 1.00 60.05 H new ATOM 0 HE2 LYS A 3 -3.300 9.689 3.157 1.00 70.14 H new ATOM 0 HE3 LYS A 3 -4.087 10.235 4.624 1.00 70.14 H new ATOM 0 HZ1 LYS A 3 -3.741 12.255 3.764 1.00 12.23 H new ATOM 0 HZ2 LYS A 3 -2.149 12.083 4.329 1.00 12.23 H new ATOM 0 HZ3 LYS A 3 -2.518 11.730 2.710 1.00 12.23 H new ATOM 49 N VAL A 4 1.255 7.316 2.144 1.00 23.30 N ATOM 50 CA VAL A 4 1.097 6.043 1.411 1.00 22.40 C ATOM 51 C VAL A 4 0.282 5.039 2.254 1.00 41.44 C ATOM 52 O VAL A 4 0.435 4.991 3.470 1.00 11.04 O ATOM 53 CB VAL A 4 2.495 5.445 1.008 1.00 12.02 C ATOM 54 CG1 VAL A 4 3.328 5.045 2.235 1.00 13.31 C ATOM 55 CG2 VAL A 4 2.346 4.274 0.013 1.00 3.31 C ATOM 0 H VAL A 4 1.645 7.206 3.080 1.00 23.30 H new ATOM 0 HA VAL A 4 0.549 6.241 0.490 1.00 22.40 H new ATOM 0 HB VAL A 4 3.044 6.237 0.499 1.00 12.02 H new ATOM 0 HG11 VAL A 4 4.285 4.637 1.908 1.00 13.31 H new ATOM 0 HG12 VAL A 4 3.501 5.922 2.859 1.00 13.31 H new ATOM 0 HG13 VAL A 4 2.790 4.291 2.810 1.00 13.31 H new ATOM 0 HG21 VAL A 4 3.332 3.886 -0.243 1.00 3.31 H new ATOM 0 HG22 VAL A 4 1.752 3.482 0.469 1.00 3.31 H new ATOM 0 HG23 VAL A 4 1.849 4.626 -0.891 1.00 3.31 H new ATOM 65 N LEU A 5 -0.601 4.256 1.609 1.00 40.01 N ATOM 66 CA LEU A 5 -1.443 3.266 2.304 1.00 74.25 C ATOM 67 C LEU A 5 -0.811 1.873 2.182 1.00 23.34 C ATOM 68 O LEU A 5 -0.943 1.210 1.146 1.00 54.42 O ATOM 69 CB LEU A 5 -2.890 3.266 1.732 1.00 30.13 C ATOM 70 CG LEU A 5 -3.937 2.384 2.497 1.00 12.51 C ATOM 71 CD1 LEU A 5 -4.084 2.826 3.968 1.00 41.13 C ATOM 72 CD2 LEU A 5 -5.302 2.383 1.773 1.00 43.11 C ATOM 0 H LEU A 5 -0.750 4.291 0.601 1.00 40.01 H new ATOM 0 HA LEU A 5 -1.504 3.537 3.358 1.00 74.25 H new ATOM 0 HB2 LEU A 5 -3.253 4.294 1.718 1.00 30.13 H new ATOM 0 HB3 LEU A 5 -2.849 2.928 0.696 1.00 30.13 H new ATOM 0 HG LEU A 5 -3.562 1.361 2.501 1.00 12.51 H new ATOM 0 HD11 LEU A 5 -4.818 2.193 4.467 1.00 41.13 H new ATOM 0 HD12 LEU A 5 -3.122 2.735 4.473 1.00 41.13 H new ATOM 0 HD13 LEU A 5 -4.416 3.864 4.005 1.00 41.13 H new ATOM 0 HD21 LEU A 5 -6.007 1.763 2.327 1.00 43.11 H new ATOM 0 HD22 LEU A 5 -5.683 3.402 1.714 1.00 43.11 H new ATOM 0 HD23 LEU A 5 -5.180 1.983 0.767 1.00 43.11 H new ATOM 84 N LEU A 6 -0.085 1.466 3.226 1.00 15.12 N ATOM 85 CA LEU A 6 0.505 0.129 3.327 1.00 34.13 C ATOM 86 C LEU A 6 -0.603 -0.886 3.695 1.00 41.41 C ATOM 87 O LEU A 6 -0.920 -1.085 4.874 1.00 44.34 O ATOM 88 CB LEU A 6 1.646 0.150 4.385 1.00 20.34 C ATOM 89 CG LEU A 6 2.402 -1.194 4.647 1.00 32.23 C ATOM 90 CD1 LEU A 6 3.050 -1.742 3.362 1.00 62.22 C ATOM 91 CD2 LEU A 6 3.442 -1.032 5.778 1.00 53.32 C ATOM 0 H LEU A 6 0.111 2.060 4.032 1.00 15.12 H new ATOM 0 HA LEU A 6 0.938 -0.174 2.374 1.00 34.13 H new ATOM 0 HB2 LEU A 6 2.379 0.895 4.077 1.00 20.34 H new ATOM 0 HB3 LEU A 6 1.224 0.490 5.331 1.00 20.34 H new ATOM 0 HG LEU A 6 1.665 -1.928 4.973 1.00 32.23 H new ATOM 0 HD11 LEU A 6 3.566 -2.676 3.584 1.00 62.22 H new ATOM 0 HD12 LEU A 6 2.278 -1.923 2.614 1.00 62.22 H new ATOM 0 HD13 LEU A 6 3.765 -1.015 2.977 1.00 62.22 H new ATOM 0 HD21 LEU A 6 3.954 -1.981 5.940 1.00 53.32 H new ATOM 0 HD22 LEU A 6 4.170 -0.271 5.497 1.00 53.32 H new ATOM 0 HD23 LEU A 6 2.937 -0.730 6.696 1.00 53.32 H new ATOM 103 N VAL A 7 -1.216 -1.482 2.658 1.00 42.23 N ATOM 104 CA VAL A 7 -2.259 -2.508 2.808 1.00 21.43 C ATOM 105 C VAL A 7 -1.604 -3.880 3.057 1.00 0.15 C ATOM 106 O VAL A 7 -1.112 -4.531 2.121 1.00 34.40 O ATOM 107 CB VAL A 7 -3.196 -2.578 1.543 1.00 53.43 C ATOM 108 CG1 VAL A 7 -4.349 -3.600 1.737 1.00 74.43 C ATOM 109 CG2 VAL A 7 -3.745 -1.178 1.183 1.00 61.24 C ATOM 0 H VAL A 7 -0.999 -1.263 1.686 1.00 42.23 H new ATOM 0 HA VAL A 7 -2.879 -2.235 3.662 1.00 21.43 H new ATOM 0 HB VAL A 7 -2.591 -2.929 0.707 1.00 53.43 H new ATOM 0 HG11 VAL A 7 -4.973 -3.619 0.843 1.00 74.43 H new ATOM 0 HG12 VAL A 7 -3.931 -4.592 1.909 1.00 74.43 H new ATOM 0 HG13 VAL A 7 -4.954 -3.308 2.595 1.00 74.43 H new ATOM 0 HG21 VAL A 7 -4.389 -1.254 0.307 1.00 61.24 H new ATOM 0 HG22 VAL A 7 -4.319 -0.786 2.022 1.00 61.24 H new ATOM 0 HG23 VAL A 7 -2.914 -0.506 0.966 1.00 61.24 H new ATOM 119 N ILE A 8 -1.545 -4.267 4.333 1.00 71.10 N ATOM 120 CA ILE A 8 -1.048 -5.577 4.767 1.00 15.12 C ATOM 121 C ILE A 8 -2.232 -6.538 4.963 1.00 40.34 C ATOM 122 O ILE A 8 -3.084 -6.334 5.847 1.00 12.12 O ATOM 123 CB ILE A 8 -0.207 -5.459 6.090 1.00 22.11 C ATOM 124 CG1 ILE A 8 0.951 -4.431 5.890 1.00 3.23 C ATOM 125 CG2 ILE A 8 0.338 -6.842 6.547 1.00 22.42 C ATOM 126 CD1 ILE A 8 1.839 -4.219 7.096 1.00 32.31 C ATOM 0 H ILE A 8 -1.845 -3.672 5.105 1.00 71.10 H new ATOM 0 HA ILE A 8 -0.389 -5.971 3.994 1.00 15.12 H new ATOM 0 HB ILE A 8 -0.862 -5.100 6.884 1.00 22.11 H new ATOM 0 HG12 ILE A 8 1.570 -4.763 5.057 1.00 3.23 H new ATOM 0 HG13 ILE A 8 0.519 -3.472 5.604 1.00 3.23 H new ATOM 0 HG21 ILE A 8 0.914 -6.721 7.464 1.00 22.42 H new ATOM 0 HG22 ILE A 8 -0.496 -7.520 6.729 1.00 22.42 H new ATOM 0 HG23 ILE A 8 0.978 -7.256 5.768 1.00 22.42 H new ATOM 0 HD11 ILE A 8 2.611 -3.488 6.855 1.00 32.31 H new ATOM 0 HD12 ILE A 8 1.240 -3.853 7.929 1.00 32.31 H new ATOM 0 HD13 ILE A 8 2.307 -5.163 7.374 1.00 32.31 H new ATOM 138 N SER A 9 -2.300 -7.558 4.099 1.00 45.33 N ATOM 139 CA SER A 9 -3.289 -8.636 4.191 1.00 72.53 C ATOM 140 C SER A 9 -2.580 -9.972 3.919 1.00 51.24 C ATOM 141 O SER A 9 -1.781 -10.068 2.980 1.00 53.04 O ATOM 142 CB SER A 9 -4.424 -8.407 3.168 1.00 42.01 C ATOM 143 OG SER A 9 -4.862 -7.056 3.145 1.00 71.55 O ATOM 0 H SER A 9 -1.663 -7.658 3.309 1.00 45.33 H new ATOM 0 HA SER A 9 -3.732 -8.652 5.187 1.00 72.53 H new ATOM 0 HB2 SER A 9 -4.078 -8.692 2.174 1.00 42.01 H new ATOM 0 HB3 SER A 9 -5.266 -9.056 3.411 1.00 42.01 H new ATOM 0 HG SER A 9 -5.373 -6.864 3.959 1.00 71.55 H new ATOM 149 N THR A 10 -2.853 -10.991 4.749 1.00 52.34 N ATOM 150 CA THR A 10 -2.255 -12.328 4.595 1.00 54.40 C ATOM 151 C THR A 10 -2.913 -13.087 3.422 1.00 12.23 C ATOM 152 O THR A 10 -2.233 -13.772 2.644 1.00 14.22 O ATOM 153 CB THR A 10 -2.392 -13.132 5.924 1.00 35.14 C ATOM 154 OG1 THR A 10 -1.878 -12.334 6.999 1.00 42.41 O ATOM 155 CG2 THR A 10 -1.651 -14.486 5.887 1.00 63.22 C ATOM 0 H THR A 10 -3.490 -10.913 5.541 1.00 52.34 H new ATOM 0 HA THR A 10 -1.195 -12.214 4.368 1.00 54.40 H new ATOM 0 HB THR A 10 -3.449 -13.355 6.069 1.00 35.14 H new ATOM 0 HG1 THR A 10 -1.960 -12.828 7.841 1.00 42.41 H new ATOM 0 HG21 THR A 10 -1.783 -14.999 6.840 1.00 63.22 H new ATOM 0 HG22 THR A 10 -2.057 -15.101 5.084 1.00 63.22 H new ATOM 0 HG23 THR A 10 -0.589 -14.315 5.711 1.00 63.22 H new ATOM 163 N ASP A 11 -4.245 -12.934 3.306 1.00 0.11 N ATOM 164 CA ASP A 11 -5.036 -13.529 2.216 1.00 24.24 C ATOM 165 C ASP A 11 -4.859 -12.719 0.920 1.00 43.34 C ATOM 166 O ASP A 11 -5.495 -11.670 0.737 1.00 41.31 O ATOM 167 CB ASP A 11 -6.533 -13.608 2.611 1.00 22.22 C ATOM 168 CG ASP A 11 -6.780 -14.514 3.825 1.00 3.15 C ATOM 169 OD1 ASP A 11 -7.007 -15.727 3.642 1.00 21.24 O ATOM 170 OD2 ASP A 11 -6.729 -14.020 4.974 1.00 61.44 O ATOM 0 H ASP A 11 -4.803 -12.393 3.967 1.00 0.11 H new ATOM 0 HA ASP A 11 -4.675 -14.542 2.040 1.00 24.24 H new ATOM 0 HB2 ASP A 11 -6.900 -12.605 2.831 1.00 22.22 H new ATOM 0 HB3 ASP A 11 -7.109 -13.979 1.763 1.00 22.22 H new ATOM 175 N THR A 12 -3.968 -13.216 0.036 1.00 30.44 N ATOM 176 CA THR A 12 -3.714 -12.638 -1.309 1.00 64.14 C ATOM 177 C THR A 12 -4.968 -12.709 -2.205 1.00 3.23 C ATOM 178 O THR A 12 -5.084 -11.972 -3.186 1.00 4.35 O ATOM 179 CB THR A 12 -2.527 -13.378 -2.011 1.00 53.34 C ATOM 180 OG1 THR A 12 -2.829 -14.782 -2.140 1.00 4.41 O ATOM 181 CG2 THR A 12 -1.221 -13.215 -1.221 1.00 20.30 C ATOM 0 H THR A 12 -3.397 -14.038 0.234 1.00 30.44 H new ATOM 0 HA THR A 12 -3.454 -11.589 -1.166 1.00 64.14 H new ATOM 0 HB THR A 12 -2.395 -12.933 -2.997 1.00 53.34 H new ATOM 0 HG1 THR A 12 -2.082 -15.238 -2.582 1.00 4.41 H new ATOM 0 HG21 THR A 12 -0.417 -13.741 -1.735 1.00 20.30 H new ATOM 0 HG22 THR A 12 -0.972 -12.157 -1.144 1.00 20.30 H new ATOM 0 HG23 THR A 12 -1.346 -13.632 -0.222 1.00 20.30 H new ATOM 189 N ASN A 13 -5.888 -13.614 -1.832 1.00 73.52 N ATOM 190 CA ASN A 13 -7.190 -13.806 -2.493 1.00 44.42 C ATOM 191 C ASN A 13 -8.064 -12.549 -2.335 1.00 20.32 C ATOM 192 O ASN A 13 -8.678 -12.085 -3.297 1.00 55.22 O ATOM 193 CB ASN A 13 -7.919 -15.027 -1.868 1.00 42.25 C ATOM 194 CG ASN A 13 -7.030 -16.268 -1.782 1.00 31.00 C ATOM 195 OD1 ASN A 13 -6.296 -16.441 -0.803 1.00 65.14 O ATOM 196 ND2 ASN A 13 -7.066 -17.136 -2.786 1.00 42.12 N ATOM 0 H ASN A 13 -5.744 -14.247 -1.045 1.00 73.52 H new ATOM 0 HA ASN A 13 -7.020 -13.985 -3.555 1.00 44.42 H new ATOM 0 HB2 ASN A 13 -8.266 -14.765 -0.869 1.00 42.25 H new ATOM 0 HB3 ASN A 13 -8.803 -15.259 -2.462 1.00 42.25 H new ATOM 0 HD21 ASN A 13 -6.479 -17.970 -2.761 1.00 42.12 H new ATOM 0 HD22 ASN A 13 -7.681 -16.969 -3.582 1.00 42.12 H new ATOM 203 N ILE A 14 -8.096 -12.014 -1.092 1.00 40.01 N ATOM 204 CA ILE A 14 -8.848 -10.796 -0.753 1.00 44.20 C ATOM 205 C ILE A 14 -8.191 -9.571 -1.424 1.00 70.54 C ATOM 206 O ILE A 14 -8.887 -8.727 -1.990 1.00 72.31 O ATOM 207 CB ILE A 14 -8.930 -10.567 0.806 1.00 32.24 C ATOM 208 CG1 ILE A 14 -9.531 -11.811 1.547 1.00 23.24 C ATOM 209 CG2 ILE A 14 -9.738 -9.290 1.138 1.00 50.32 C ATOM 210 CD1 ILE A 14 -10.979 -12.154 1.213 1.00 31.54 C ATOM 0 H ILE A 14 -7.599 -12.420 -0.299 1.00 40.01 H new ATOM 0 HA ILE A 14 -9.865 -10.923 -1.124 1.00 44.20 H new ATOM 0 HB ILE A 14 -7.910 -10.432 1.165 1.00 32.24 H new ATOM 0 HG12 ILE A 14 -8.911 -12.678 1.320 1.00 23.24 H new ATOM 0 HG13 ILE A 14 -9.458 -11.640 2.621 1.00 23.24 H new ATOM 0 HG21 ILE A 14 -9.779 -9.156 2.219 1.00 50.32 H new ATOM 0 HG22 ILE A 14 -9.255 -8.425 0.683 1.00 50.32 H new ATOM 0 HG23 ILE A 14 -10.750 -9.388 0.746 1.00 50.32 H new ATOM 0 HD11 ILE A 14 -11.286 -13.030 1.784 1.00 31.54 H new ATOM 0 HD12 ILE A 14 -11.621 -11.311 1.469 1.00 31.54 H new ATOM 0 HD13 ILE A 14 -11.066 -12.366 0.147 1.00 31.54 H new ATOM 222 N ILE A 15 -6.837 -9.515 -1.356 1.00 30.03 N ATOM 223 CA ILE A 15 -6.028 -8.449 -1.987 1.00 33.30 C ATOM 224 C ILE A 15 -6.325 -8.361 -3.482 1.00 52.43 C ATOM 225 O ILE A 15 -6.549 -7.281 -3.992 1.00 42.04 O ATOM 226 CB ILE A 15 -4.484 -8.674 -1.802 1.00 3.35 C ATOM 227 CG1 ILE A 15 -4.130 -8.758 -0.299 1.00 21.11 C ATOM 228 CG2 ILE A 15 -3.663 -7.559 -2.499 1.00 53.24 C ATOM 229 CD1 ILE A 15 -2.669 -9.026 -0.003 1.00 75.31 C ATOM 0 H ILE A 15 -6.278 -10.210 -0.861 1.00 30.03 H new ATOM 0 HA ILE A 15 -6.306 -7.521 -1.486 1.00 33.30 H new ATOM 0 HB ILE A 15 -4.222 -9.620 -2.276 1.00 3.35 H new ATOM 0 HG12 ILE A 15 -4.417 -7.822 0.180 1.00 21.11 H new ATOM 0 HG13 ILE A 15 -4.729 -9.546 0.157 1.00 21.11 H new ATOM 0 HG21 ILE A 15 -2.599 -7.745 -2.352 1.00 53.24 H new ATOM 0 HG22 ILE A 15 -3.887 -7.555 -3.566 1.00 53.24 H new ATOM 0 HG23 ILE A 15 -3.925 -6.592 -2.070 1.00 53.24 H new ATOM 0 HD11 ILE A 15 -2.518 -9.068 1.076 1.00 75.31 H new ATOM 0 HD12 ILE A 15 -2.376 -9.977 -0.447 1.00 75.31 H new ATOM 0 HD13 ILE A 15 -2.060 -8.226 -0.424 1.00 75.31 H new ATOM 241 N SER A 16 -6.361 -9.533 -4.140 1.00 32.21 N ATOM 242 CA SER A 16 -6.617 -9.655 -5.579 1.00 72.42 C ATOM 243 C SER A 16 -7.937 -8.959 -5.952 1.00 24.51 C ATOM 244 O SER A 16 -7.964 -8.150 -6.875 1.00 11.10 O ATOM 245 CB SER A 16 -6.651 -11.148 -5.975 1.00 64.54 C ATOM 246 OG SER A 16 -6.874 -11.324 -7.365 1.00 62.23 O ATOM 0 H SER A 16 -6.211 -10.430 -3.679 1.00 32.21 H new ATOM 0 HA SER A 16 -5.813 -9.165 -6.128 1.00 72.42 H new ATOM 0 HB2 SER A 16 -5.708 -11.619 -5.697 1.00 64.54 H new ATOM 0 HB3 SER A 16 -7.437 -11.654 -5.415 1.00 64.54 H new ATOM 0 HG SER A 16 -6.887 -12.281 -7.576 1.00 62.23 H new ATOM 252 N SER A 17 -8.994 -9.247 -5.166 1.00 51.32 N ATOM 253 CA SER A 17 -10.345 -8.708 -5.387 1.00 52.03 C ATOM 254 C SER A 17 -10.385 -7.176 -5.187 1.00 15.21 C ATOM 255 O SER A 17 -10.756 -6.443 -6.093 1.00 11.14 O ATOM 256 CB SER A 17 -11.330 -9.404 -4.422 1.00 54.31 C ATOM 257 OG SER A 17 -11.117 -10.809 -4.406 1.00 2.03 O ATOM 0 H SER A 17 -8.931 -9.864 -4.356 1.00 51.32 H new ATOM 0 HA SER A 17 -10.636 -8.907 -6.419 1.00 52.03 H new ATOM 0 HB2 SER A 17 -11.206 -9.002 -3.417 1.00 54.31 H new ATOM 0 HB3 SER A 17 -12.355 -9.191 -4.726 1.00 54.31 H new ATOM 0 HG SER A 17 -10.330 -11.014 -3.859 1.00 2.03 H new ATOM 263 N VAL A 18 -9.953 -6.727 -3.997 1.00 14.12 N ATOM 264 CA VAL A 18 -9.995 -5.305 -3.583 1.00 21.01 C ATOM 265 C VAL A 18 -9.136 -4.422 -4.500 1.00 60.11 C ATOM 266 O VAL A 18 -9.558 -3.332 -4.896 1.00 53.51 O ATOM 267 CB VAL A 18 -9.508 -5.145 -2.095 1.00 2.25 C ATOM 268 CG1 VAL A 18 -9.403 -3.652 -1.678 1.00 5.24 C ATOM 269 CG2 VAL A 18 -10.434 -5.932 -1.139 1.00 10.15 C ATOM 0 H VAL A 18 -9.560 -7.343 -3.285 1.00 14.12 H new ATOM 0 HA VAL A 18 -11.032 -4.978 -3.663 1.00 21.01 H new ATOM 0 HB VAL A 18 -8.504 -5.563 -2.025 1.00 2.25 H new ATOM 0 HG11 VAL A 18 -9.064 -3.586 -0.644 1.00 5.24 H new ATOM 0 HG12 VAL A 18 -8.691 -3.142 -2.327 1.00 5.24 H new ATOM 0 HG13 VAL A 18 -10.381 -3.179 -1.770 1.00 5.24 H new ATOM 0 HG21 VAL A 18 -10.085 -5.812 -0.113 1.00 10.15 H new ATOM 0 HG22 VAL A 18 -11.452 -5.551 -1.223 1.00 10.15 H new ATOM 0 HG23 VAL A 18 -10.419 -6.989 -1.406 1.00 10.15 H new ATOM 279 N GLN A 19 -7.941 -4.924 -4.824 1.00 60.44 N ATOM 280 CA GLN A 19 -6.955 -4.205 -5.636 1.00 54.43 C ATOM 281 C GLN A 19 -7.485 -3.985 -7.055 1.00 42.10 C ATOM 282 O GLN A 19 -7.478 -2.853 -7.542 1.00 12.23 O ATOM 283 CB GLN A 19 -5.612 -4.975 -5.659 1.00 32.10 C ATOM 284 CG GLN A 19 -4.469 -4.264 -6.399 1.00 61.02 C ATOM 285 CD GLN A 19 -3.194 -5.094 -6.542 1.00 60.43 C ATOM 286 OE1 GLN A 19 -2.490 -4.981 -7.546 1.00 53.04 O ATOM 287 NE2 GLN A 19 -2.852 -5.894 -5.535 1.00 62.50 N ATOM 0 H GLN A 19 -7.628 -5.848 -4.528 1.00 60.44 H new ATOM 0 HA GLN A 19 -6.780 -3.228 -5.187 1.00 54.43 H new ATOM 0 HB2 GLN A 19 -5.299 -5.161 -4.631 1.00 32.10 H new ATOM 0 HB3 GLN A 19 -5.776 -5.947 -6.123 1.00 32.10 H new ATOM 0 HG2 GLN A 19 -4.817 -3.981 -7.393 1.00 61.02 H new ATOM 0 HG3 GLN A 19 -4.229 -3.341 -5.871 1.00 61.02 H new ATOM 0 HE21 GLN A 19 -3.454 -5.968 -4.715 1.00 62.50 H new ATOM 0 HE22 GLN A 19 -1.987 -6.433 -5.583 1.00 62.50 H new ATOM 296 N GLU A 20 -7.992 -5.061 -7.697 1.00 40.31 N ATOM 297 CA GLU A 20 -8.512 -4.972 -9.071 1.00 22.30 C ATOM 298 C GLU A 20 -9.759 -4.064 -9.105 1.00 63.22 C ATOM 299 O GLU A 20 -9.895 -3.251 -10.020 1.00 14.03 O ATOM 300 CB GLU A 20 -8.740 -6.390 -9.685 1.00 74.53 C ATOM 301 CG GLU A 20 -9.910 -7.250 -9.128 1.00 12.33 C ATOM 302 CD GLU A 20 -11.247 -7.067 -9.864 1.00 4.41 C ATOM 303 OE1 GLU A 20 -11.442 -7.683 -10.928 1.00 3.22 O ATOM 304 OE2 GLU A 20 -12.086 -6.278 -9.405 1.00 23.12 O ATOM 0 H GLU A 20 -8.050 -5.993 -7.286 1.00 40.31 H new ATOM 0 HA GLU A 20 -7.768 -4.501 -9.713 1.00 22.30 H new ATOM 0 HB2 GLU A 20 -8.897 -6.268 -10.757 1.00 74.53 H new ATOM 0 HB3 GLU A 20 -7.819 -6.959 -9.560 1.00 74.53 H new ATOM 0 HG2 GLU A 20 -9.625 -8.301 -9.176 1.00 12.33 H new ATOM 0 HG3 GLU A 20 -10.054 -7.006 -8.075 1.00 12.33 H new ATOM 311 N ARG A 21 -10.615 -4.171 -8.050 1.00 44.41 N ATOM 312 CA ARG A 21 -11.767 -3.262 -7.828 1.00 14.13 C ATOM 313 C ARG A 21 -11.292 -1.800 -7.778 1.00 61.33 C ATOM 314 O ARG A 21 -11.946 -0.920 -8.320 1.00 35.10 O ATOM 315 CB ARG A 21 -12.527 -3.591 -6.497 1.00 21.42 C ATOM 316 CG ARG A 21 -13.397 -4.874 -6.490 1.00 3.34 C ATOM 317 CD ARG A 21 -14.552 -4.844 -7.514 1.00 25.04 C ATOM 318 NE ARG A 21 -15.534 -5.931 -7.300 1.00 54.12 N ATOM 319 CZ ARG A 21 -15.371 -7.224 -7.648 1.00 2.20 C ATOM 320 NH1 ARG A 21 -14.260 -7.650 -8.228 1.00 62.34 N ATOM 321 NH2 ARG A 21 -16.348 -8.081 -7.432 1.00 51.35 N ATOM 0 H ARG A 21 -10.522 -4.890 -7.333 1.00 44.41 H new ATOM 0 HA ARG A 21 -12.452 -3.408 -8.663 1.00 14.13 H new ATOM 0 HB2 ARG A 21 -11.791 -3.675 -5.697 1.00 21.42 H new ATOM 0 HB3 ARG A 21 -13.168 -2.744 -6.253 1.00 21.42 H new ATOM 0 HG2 ARG A 21 -12.761 -5.735 -6.697 1.00 3.34 H new ATOM 0 HG3 ARG A 21 -13.811 -5.016 -5.492 1.00 3.34 H new ATOM 0 HD2 ARG A 21 -15.062 -3.882 -7.453 1.00 25.04 H new ATOM 0 HD3 ARG A 21 -14.142 -4.924 -8.521 1.00 25.04 H new ATOM 0 HE ARG A 21 -16.413 -5.679 -6.849 1.00 54.12 H new ATOM 0 HH11 ARG A 21 -13.502 -6.995 -8.422 1.00 62.34 H new ATOM 0 HH12 ARG A 21 -14.162 -8.633 -8.481 1.00 62.34 H new ATOM 0 HH21 ARG A 21 -17.219 -7.765 -7.005 1.00 51.35 H new ATOM 0 HH22 ARG A 21 -16.234 -9.061 -7.692 1.00 51.35 H new ATOM 335 N ALA A 22 -10.132 -1.587 -7.133 1.00 43.11 N ATOM 336 CA ALA A 22 -9.567 -0.255 -6.900 1.00 13.42 C ATOM 337 C ALA A 22 -9.071 0.395 -8.207 1.00 20.41 C ATOM 338 O ALA A 22 -9.248 1.586 -8.379 1.00 10.24 O ATOM 339 CB ALA A 22 -8.458 -0.336 -5.841 1.00 33.12 C ATOM 0 H ALA A 22 -9.559 -2.343 -6.758 1.00 43.11 H new ATOM 0 HA ALA A 22 -10.357 0.393 -6.520 1.00 13.42 H new ATOM 0 HB1 ALA A 22 -8.042 0.657 -5.673 1.00 33.12 H new ATOM 0 HB2 ALA A 22 -8.873 -0.719 -4.908 1.00 33.12 H new ATOM 0 HB3 ALA A 22 -7.671 -1.004 -6.189 1.00 33.12 H new ATOM 345 N LYS A 23 -8.463 -0.380 -9.136 1.00 14.41 N ATOM 346 CA LYS A 23 -8.061 0.186 -10.461 1.00 63.55 C ATOM 347 C LYS A 23 -9.270 0.313 -11.422 1.00 70.31 C ATOM 348 O LYS A 23 -9.271 1.190 -12.292 1.00 32.24 O ATOM 349 CB LYS A 23 -6.917 -0.609 -11.158 1.00 61.12 C ATOM 350 CG LYS A 23 -5.497 -0.462 -10.523 1.00 5.52 C ATOM 351 CD LYS A 23 -5.235 -1.404 -9.332 1.00 42.32 C ATOM 352 CE LYS A 23 -5.246 -2.894 -9.736 1.00 1.34 C ATOM 353 NZ LYS A 23 -4.127 -3.267 -10.635 1.00 21.32 N ATOM 0 H LYS A 23 -8.242 -1.368 -9.008 1.00 14.41 H new ATOM 0 HA LYS A 23 -7.674 1.180 -10.237 1.00 63.55 H new ATOM 0 HB2 LYS A 23 -7.185 -1.666 -11.161 1.00 61.12 H new ATOM 0 HB3 LYS A 23 -6.863 -0.291 -12.199 1.00 61.12 H new ATOM 0 HG2 LYS A 23 -4.747 -0.649 -11.291 1.00 5.52 H new ATOM 0 HG3 LYS A 23 -5.364 0.568 -10.193 1.00 5.52 H new ATOM 0 HD2 LYS A 23 -4.271 -1.160 -8.887 1.00 42.32 H new ATOM 0 HD3 LYS A 23 -5.992 -1.234 -8.566 1.00 42.32 H new ATOM 0 HE2 LYS A 23 -5.200 -3.507 -8.836 1.00 1.34 H new ATOM 0 HE3 LYS A 23 -6.191 -3.122 -10.229 1.00 1.34 H new ATOM 0 HZ1 LYS A 23 -4.172 -4.285 -10.841 1.00 21.32 H new ATOM 0 HZ2 LYS A 23 -4.201 -2.730 -11.523 1.00 21.32 H new ATOM 0 HZ3 LYS A 23 -3.222 -3.047 -10.172 1.00 21.32 H new ATOM 367 N HIS A 24 -10.285 -0.574 -11.279 1.00 32.13 N ATOM 368 CA HIS A 24 -11.519 -0.511 -12.110 1.00 13.21 C ATOM 369 C HIS A 24 -12.363 0.725 -11.729 1.00 74.40 C ATOM 370 O HIS A 24 -12.897 1.417 -12.597 1.00 23.34 O ATOM 371 CB HIS A 24 -12.391 -1.794 -11.963 1.00 12.03 C ATOM 372 CG HIS A 24 -11.783 -3.069 -12.499 1.00 44.03 C ATOM 373 ND1 HIS A 24 -11.001 -3.134 -13.635 1.00 14.25 N ATOM 374 CD2 HIS A 24 -11.871 -4.339 -12.048 1.00 15.11 C ATOM 375 CE1 HIS A 24 -10.636 -4.381 -13.848 1.00 73.31 C ATOM 376 NE2 HIS A 24 -11.146 -5.128 -12.894 1.00 3.33 N ATOM 0 H HIS A 24 -10.277 -1.337 -10.602 1.00 32.13 H new ATOM 0 HA HIS A 24 -11.198 -0.435 -13.149 1.00 13.21 H new ATOM 0 HB2 HIS A 24 -12.616 -1.938 -10.906 1.00 12.03 H new ATOM 0 HB3 HIS A 24 -13.340 -1.625 -12.471 1.00 12.03 H new ATOM 0 HD2 HIS A 24 -12.416 -4.670 -11.176 1.00 15.11 H new ATOM 0 HE1 HIS A 24 -10.023 -4.730 -14.666 1.00 73.31 H new ATOM 0 HE2 HIS A 24 -11.020 -6.136 -12.801 1.00 3.33 H new ATOM 385 N ASN A 25 -12.442 0.991 -10.415 1.00 22.50 N ATOM 386 CA ASN A 25 -13.273 2.071 -9.840 1.00 15.31 C ATOM 387 C ASN A 25 -12.514 3.408 -9.857 1.00 72.21 C ATOM 388 O ASN A 25 -13.121 4.479 -9.975 1.00 23.54 O ATOM 389 CB ASN A 25 -13.685 1.694 -8.388 1.00 43.31 C ATOM 390 CG ASN A 25 -14.650 2.683 -7.727 1.00 73.24 C ATOM 391 OD1 ASN A 25 -15.489 3.301 -8.385 1.00 41.12 O ATOM 392 ND2 ASN A 25 -14.547 2.831 -6.420 1.00 41.35 N ATOM 0 H ASN A 25 -11.928 0.460 -9.712 1.00 22.50 H new ATOM 0 HA ASN A 25 -14.171 2.188 -10.446 1.00 15.31 H new ATOM 0 HB2 ASN A 25 -14.147 0.707 -8.399 1.00 43.31 H new ATOM 0 HB3 ASN A 25 -12.786 1.618 -7.776 1.00 43.31 H new ATOM 0 HD21 ASN A 25 -15.172 3.470 -5.928 1.00 41.35 H new ATOM 0 HD22 ASN A 25 -13.843 2.306 -5.901 1.00 41.35 H new ATOM 399 N TYR A 26 -11.172 3.335 -9.734 1.00 60.33 N ATOM 400 CA TYR A 26 -10.290 4.518 -9.754 1.00 65.41 C ATOM 401 C TYR A 26 -9.281 4.404 -10.919 1.00 44.05 C ATOM 402 O TYR A 26 -8.165 3.896 -10.732 1.00 44.25 O ATOM 403 CB TYR A 26 -9.540 4.669 -8.408 1.00 2.40 C ATOM 404 CG TYR A 26 -10.439 4.715 -7.170 1.00 52.54 C ATOM 405 CD1 TYR A 26 -11.061 5.900 -6.777 1.00 74.33 C ATOM 406 CD2 TYR A 26 -10.676 3.571 -6.406 1.00 72.32 C ATOM 407 CE1 TYR A 26 -11.871 5.943 -5.666 1.00 45.34 C ATOM 408 CE2 TYR A 26 -11.483 3.611 -5.296 1.00 63.53 C ATOM 409 CZ TYR A 26 -12.084 4.797 -4.936 1.00 70.11 C ATOM 410 OH TYR A 26 -12.906 4.831 -3.844 1.00 14.25 O ATOM 0 H TYR A 26 -10.671 2.454 -9.618 1.00 60.33 H new ATOM 0 HA TYR A 26 -10.906 5.405 -9.901 1.00 65.41 H new ATOM 0 HB2 TYR A 26 -8.843 3.838 -8.302 1.00 2.40 H new ATOM 0 HB3 TYR A 26 -8.945 5.582 -8.441 1.00 2.40 H new ATOM 0 HD1 TYR A 26 -10.904 6.799 -7.355 1.00 74.33 H new ATOM 0 HD2 TYR A 26 -10.216 2.637 -6.693 1.00 72.32 H new ATOM 0 HE1 TYR A 26 -12.337 6.871 -5.369 1.00 45.34 H new ATOM 0 HE2 TYR A 26 -11.645 2.719 -4.709 1.00 63.53 H new ATOM 0 HH TYR A 26 -13.788 4.479 -4.087 1.00 14.25 H new ATOM 420 N PRO A 27 -9.672 4.838 -12.155 1.00 32.24 N ATOM 421 CA PRO A 27 -8.764 4.821 -13.321 1.00 10.43 C ATOM 422 C PRO A 27 -7.710 5.950 -13.275 1.00 61.21 C ATOM 423 O PRO A 27 -6.667 5.850 -13.925 1.00 31.22 O ATOM 424 CB PRO A 27 -9.734 4.987 -14.516 1.00 12.31 C ATOM 425 CG PRO A 27 -10.903 5.756 -13.967 1.00 75.20 C ATOM 426 CD PRO A 27 -11.034 5.341 -12.514 1.00 51.51 C ATOM 0 HA PRO A 27 -8.166 3.911 -13.371 1.00 10.43 H new ATOM 0 HB2 PRO A 27 -9.260 5.524 -15.337 1.00 12.31 H new ATOM 0 HB3 PRO A 27 -10.047 4.019 -14.907 1.00 12.31 H new ATOM 0 HG2 PRO A 27 -10.738 6.830 -14.052 1.00 75.20 H new ATOM 0 HG3 PRO A 27 -11.814 5.529 -14.521 1.00 75.20 H new ATOM 0 HD2 PRO A 27 -11.328 6.181 -11.884 1.00 51.51 H new ATOM 0 HD3 PRO A 27 -11.791 4.567 -12.387 1.00 51.51 H new ATOM 434 N GLY A 28 -7.997 7.008 -12.489 1.00 23.53 N ATOM 435 CA GLY A 28 -7.113 8.175 -12.379 1.00 2.42 C ATOM 436 C GLY A 28 -6.228 8.146 -11.140 1.00 3.30 C ATOM 437 O GLY A 28 -5.610 9.164 -10.806 1.00 75.22 O ATOM 0 H GLY A 28 -8.841 7.073 -11.920 1.00 23.53 H new ATOM 0 HA2 GLY A 28 -6.482 8.229 -13.266 1.00 2.42 H new ATOM 0 HA3 GLY A 28 -7.719 9.081 -12.363 1.00 2.42 H new ATOM 441 N ARG A 29 -6.171 6.989 -10.448 1.00 31.23 N ATOM 442 CA ARG A 29 -5.334 6.810 -9.248 1.00 60.31 C ATOM 443 C ARG A 29 -4.197 5.830 -9.535 1.00 41.15 C ATOM 444 O ARG A 29 -4.384 4.809 -10.209 1.00 20.52 O ATOM 445 CB ARG A 29 -6.177 6.304 -8.056 1.00 35.34 C ATOM 446 CG ARG A 29 -7.288 7.272 -7.610 1.00 33.10 C ATOM 447 CD ARG A 29 -6.770 8.605 -7.049 1.00 10.44 C ATOM 448 NE ARG A 29 -7.876 9.426 -6.536 1.00 54.30 N ATOM 449 CZ ARG A 29 -7.753 10.630 -5.959 1.00 11.11 C ATOM 450 NH1 ARG A 29 -6.556 11.204 -5.795 1.00 60.53 N ATOM 451 NH2 ARG A 29 -8.847 11.254 -5.549 1.00 41.44 N ATOM 0 H ARG A 29 -6.702 6.157 -10.706 1.00 31.23 H new ATOM 0 HA ARG A 29 -4.911 7.779 -8.984 1.00 60.31 H new ATOM 0 HB2 ARG A 29 -6.629 5.349 -8.325 1.00 35.34 H new ATOM 0 HB3 ARG A 29 -5.514 6.116 -7.211 1.00 35.34 H new ATOM 0 HG2 ARG A 29 -7.940 7.476 -8.459 1.00 33.10 H new ATOM 0 HG3 ARG A 29 -7.898 6.783 -6.851 1.00 33.10 H new ATOM 0 HD2 ARG A 29 -6.054 8.414 -6.250 1.00 10.44 H new ATOM 0 HD3 ARG A 29 -6.239 9.150 -7.829 1.00 10.44 H new ATOM 0 HE ARG A 29 -8.819 9.047 -6.627 1.00 54.30 H new ATOM 0 HH11 ARG A 29 -5.713 10.725 -6.112 1.00 60.53 H new ATOM 0 HH12 ARG A 29 -6.486 12.121 -5.353 1.00 60.53 H new ATOM 0 HH21 ARG A 29 -9.760 10.818 -5.675 1.00 41.44 H new ATOM 0 HH22 ARG A 29 -8.776 12.171 -5.107 1.00 41.44 H new ATOM 465 N GLU A 30 -3.022 6.161 -8.989 1.00 0.21 N ATOM 466 CA GLU A 30 -1.783 5.414 -9.181 1.00 30.03 C ATOM 467 C GLU A 30 -1.634 4.451 -7.996 1.00 45.51 C ATOM 468 O GLU A 30 -1.481 4.894 -6.849 1.00 23.20 O ATOM 469 CB GLU A 30 -0.567 6.391 -9.264 1.00 13.43 C ATOM 470 CG GLU A 30 -0.657 7.501 -10.356 1.00 20.30 C ATOM 471 CD GLU A 30 -1.789 8.547 -10.152 1.00 24.41 C ATOM 472 OE1 GLU A 30 -2.013 8.992 -8.994 1.00 14.21 O ATOM 473 OE2 GLU A 30 -2.465 8.914 -11.137 1.00 53.11 O ATOM 0 H GLU A 30 -2.908 6.977 -8.387 1.00 0.21 H new ATOM 0 HA GLU A 30 -1.812 4.854 -10.116 1.00 30.03 H new ATOM 0 HB2 GLU A 30 -0.446 6.872 -8.294 1.00 13.43 H new ATOM 0 HB3 GLU A 30 0.334 5.804 -9.444 1.00 13.43 H new ATOM 0 HG2 GLU A 30 0.297 8.026 -10.395 1.00 20.30 H new ATOM 0 HG3 GLU A 30 -0.798 7.023 -11.325 1.00 20.30 H new ATOM 480 N ILE A 31 -1.735 3.144 -8.258 1.00 72.34 N ATOM 481 CA ILE A 31 -1.669 2.109 -7.212 1.00 31.11 C ATOM 482 C ILE A 31 -0.484 1.168 -7.486 1.00 20.10 C ATOM 483 O ILE A 31 -0.205 0.825 -8.638 1.00 32.20 O ATOM 484 CB ILE A 31 -3.014 1.296 -7.124 1.00 64.24 C ATOM 485 CG1 ILE A 31 -4.215 2.264 -6.869 1.00 0.13 C ATOM 486 CG2 ILE A 31 -2.924 0.218 -6.020 1.00 21.32 C ATOM 487 CD1 ILE A 31 -5.577 1.602 -6.828 1.00 24.30 C ATOM 0 H ILE A 31 -1.865 2.770 -9.198 1.00 72.34 H new ATOM 0 HA ILE A 31 -1.520 2.601 -6.251 1.00 31.11 H new ATOM 0 HB ILE A 31 -3.181 0.789 -8.074 1.00 64.24 H new ATOM 0 HG12 ILE A 31 -4.051 2.780 -5.923 1.00 0.13 H new ATOM 0 HG13 ILE A 31 -4.221 3.024 -7.650 1.00 0.13 H new ATOM 0 HG21 ILE A 31 -3.863 -0.334 -5.973 1.00 21.32 H new ATOM 0 HG22 ILE A 31 -2.109 -0.469 -6.248 1.00 21.32 H new ATOM 0 HG23 ILE A 31 -2.736 0.696 -5.059 1.00 21.32 H new ATOM 0 HD11 ILE A 31 -6.343 2.356 -6.646 1.00 24.30 H new ATOM 0 HD12 ILE A 31 -5.771 1.110 -7.781 1.00 24.30 H new ATOM 0 HD13 ILE A 31 -5.598 0.863 -6.027 1.00 24.30 H new ATOM 499 N ARG A 32 0.222 0.781 -6.413 1.00 1.32 N ATOM 500 CA ARG A 32 1.411 -0.083 -6.464 1.00 20.10 C ATOM 501 C ARG A 32 1.179 -1.382 -5.669 1.00 30.14 C ATOM 502 O ARG A 32 0.257 -1.470 -4.845 1.00 65.23 O ATOM 503 CB ARG A 32 2.627 0.689 -5.893 1.00 3.44 C ATOM 504 CG ARG A 32 3.111 1.876 -6.761 1.00 24.43 C ATOM 505 CD ARG A 32 3.583 1.427 -8.157 1.00 15.10 C ATOM 506 NE ARG A 32 4.148 2.539 -8.938 1.00 21.02 N ATOM 507 CZ ARG A 32 4.180 2.606 -10.282 1.00 63.34 C ATOM 508 NH1 ARG A 32 3.676 1.630 -11.038 1.00 1.50 N ATOM 509 NH2 ARG A 32 4.724 3.652 -10.874 1.00 20.40 N ATOM 0 H ARG A 32 -0.023 1.066 -5.465 1.00 1.32 H new ATOM 0 HA ARG A 32 1.608 -0.357 -7.501 1.00 20.10 H new ATOM 0 HB2 ARG A 32 2.369 1.064 -4.903 1.00 3.44 H new ATOM 0 HB3 ARG A 32 3.454 -0.009 -5.764 1.00 3.44 H new ATOM 0 HG2 ARG A 32 2.301 2.598 -6.869 1.00 24.43 H new ATOM 0 HG3 ARG A 32 3.928 2.387 -6.251 1.00 24.43 H new ATOM 0 HD2 ARG A 32 4.333 0.643 -8.050 1.00 15.10 H new ATOM 0 HD3 ARG A 32 2.743 0.994 -8.700 1.00 15.10 H new ATOM 0 HE ARG A 32 4.547 3.321 -8.419 1.00 21.02 H new ATOM 0 HH11 ARG A 32 3.255 0.811 -10.599 1.00 1.50 H new ATOM 0 HH12 ARG A 32 3.711 1.703 -12.055 1.00 1.50 H new ATOM 0 HH21 ARG A 32 5.119 4.407 -10.313 1.00 20.40 H new ATOM 0 HH22 ARG A 32 4.750 3.706 -11.892 1.00 20.40 H new ATOM 523 N THR A 33 2.024 -2.386 -5.940 1.00 12.53 N ATOM 524 CA THR A 33 2.024 -3.674 -5.237 1.00 34.32 C ATOM 525 C THR A 33 3.477 -4.155 -5.071 1.00 61.32 C ATOM 526 O THR A 33 4.173 -4.401 -6.071 1.00 73.13 O ATOM 527 CB THR A 33 1.187 -4.745 -6.010 1.00 4.31 C ATOM 528 OG1 THR A 33 -0.137 -4.244 -6.236 1.00 25.45 O ATOM 529 CG2 THR A 33 1.102 -6.084 -5.252 1.00 73.33 C ATOM 0 H THR A 33 2.738 -2.324 -6.666 1.00 12.53 H new ATOM 0 HA THR A 33 1.562 -3.539 -4.259 1.00 34.32 H new ATOM 0 HB THR A 33 1.694 -4.934 -6.956 1.00 4.31 H new ATOM 0 HG1 THR A 33 -0.613 -4.842 -6.850 1.00 25.45 H new ATOM 0 HG21 THR A 33 0.510 -6.793 -5.831 1.00 73.33 H new ATOM 0 HG22 THR A 33 2.106 -6.483 -5.105 1.00 73.33 H new ATOM 0 HG23 THR A 33 0.630 -5.924 -4.283 1.00 73.33 H new ATOM 537 N ALA A 34 3.934 -4.282 -3.815 1.00 14.21 N ATOM 538 CA ALA A 34 5.313 -4.683 -3.509 1.00 54.14 C ATOM 539 C ALA A 34 5.470 -6.208 -3.656 1.00 54.33 C ATOM 540 O ALA A 34 4.954 -6.981 -2.837 1.00 21.41 O ATOM 541 CB ALA A 34 5.707 -4.216 -2.105 1.00 42.35 C ATOM 0 H ALA A 34 3.361 -4.110 -2.989 1.00 14.21 H new ATOM 0 HA ALA A 34 5.986 -4.205 -4.221 1.00 54.14 H new ATOM 0 HB1 ALA A 34 6.732 -4.521 -1.894 1.00 42.35 H new ATOM 0 HB2 ALA A 34 5.633 -3.130 -2.049 1.00 42.35 H new ATOM 0 HB3 ALA A 34 5.037 -4.664 -1.371 1.00 42.35 H new ATOM 547 N THR A 35 6.147 -6.613 -4.739 1.00 13.55 N ATOM 548 CA THR A 35 6.478 -8.022 -5.026 1.00 23.23 C ATOM 549 C THR A 35 7.820 -8.395 -4.349 1.00 60.41 C ATOM 550 O THR A 35 8.081 -9.565 -4.055 1.00 53.25 O ATOM 551 CB THR A 35 6.554 -8.247 -6.578 1.00 24.54 C ATOM 552 OG1 THR A 35 5.325 -7.814 -7.189 1.00 32.31 O ATOM 553 CG2 THR A 35 6.826 -9.719 -6.962 1.00 52.11 C ATOM 0 H THR A 35 6.486 -5.966 -5.451 1.00 13.55 H new ATOM 0 HA THR A 35 5.697 -8.667 -4.623 1.00 23.23 H new ATOM 0 HB THR A 35 7.395 -7.658 -6.943 1.00 24.54 H new ATOM 0 HG1 THR A 35 5.374 -7.953 -8.158 1.00 32.31 H new ATOM 0 HG21 THR A 35 6.867 -9.810 -8.047 1.00 52.11 H new ATOM 0 HG22 THR A 35 7.777 -10.037 -6.535 1.00 52.11 H new ATOM 0 HG23 THR A 35 6.026 -10.350 -6.575 1.00 52.11 H new ATOM 561 N SER A 36 8.661 -7.377 -4.105 1.00 55.13 N ATOM 562 CA SER A 36 9.958 -7.542 -3.438 1.00 42.44 C ATOM 563 C SER A 36 10.366 -6.229 -2.732 1.00 12.42 C ATOM 564 O SER A 36 9.672 -5.204 -2.846 1.00 22.31 O ATOM 565 CB SER A 36 11.013 -7.992 -4.477 1.00 13.22 C ATOM 566 OG SER A 36 11.128 -7.050 -5.523 1.00 23.10 O ATOM 0 H SER A 36 8.457 -6.413 -4.367 1.00 55.13 H new ATOM 0 HA SER A 36 9.887 -8.312 -2.670 1.00 42.44 H new ATOM 0 HB2 SER A 36 11.979 -8.118 -3.988 1.00 13.22 H new ATOM 0 HB3 SER A 36 10.734 -8.963 -4.886 1.00 13.22 H new ATOM 0 HG SER A 36 10.244 -6.679 -5.728 1.00 23.10 H new ATOM 572 N SER A 37 11.509 -6.281 -2.004 1.00 1.34 N ATOM 573 CA SER A 37 12.074 -5.121 -1.279 1.00 33.14 C ATOM 574 C SER A 37 12.623 -4.055 -2.252 1.00 11.44 C ATOM 575 O SER A 37 12.798 -2.891 -1.867 1.00 23.23 O ATOM 576 CB SER A 37 13.177 -5.580 -0.289 1.00 73.41 C ATOM 577 OG SER A 37 14.194 -6.316 -0.956 1.00 21.41 O ATOM 0 H SER A 37 12.064 -7.131 -1.904 1.00 1.34 H new ATOM 0 HA SER A 37 11.266 -4.661 -0.710 1.00 33.14 H new ATOM 0 HB2 SER A 37 13.615 -4.710 0.200 1.00 73.41 H new ATOM 0 HB3 SER A 37 12.733 -6.195 0.494 1.00 73.41 H new ATOM 0 HG SER A 37 14.877 -6.591 -0.309 1.00 21.41 H new ATOM 583 N GLN A 38 12.902 -4.468 -3.509 1.00 35.23 N ATOM 584 CA GLN A 38 13.280 -3.540 -4.591 1.00 52.42 C ATOM 585 C GLN A 38 12.090 -2.616 -4.914 1.00 32.14 C ATOM 586 O GLN A 38 12.268 -1.399 -5.056 1.00 70.33 O ATOM 587 CB GLN A 38 13.735 -4.338 -5.844 1.00 54.54 C ATOM 588 CG GLN A 38 14.100 -3.491 -7.088 1.00 43.21 C ATOM 589 CD GLN A 38 15.273 -2.529 -6.875 1.00 1.33 C ATOM 590 OE1 GLN A 38 15.090 -1.370 -6.491 1.00 12.20 O ATOM 591 NE2 GLN A 38 16.490 -3.001 -7.114 1.00 40.33 N ATOM 0 H GLN A 38 12.871 -5.446 -3.797 1.00 35.23 H new ATOM 0 HA GLN A 38 14.118 -2.921 -4.269 1.00 52.42 H new ATOM 0 HB2 GLN A 38 14.601 -4.941 -5.572 1.00 54.54 H new ATOM 0 HB3 GLN A 38 12.939 -5.029 -6.120 1.00 54.54 H new ATOM 0 HG2 GLN A 38 14.341 -4.163 -7.912 1.00 43.21 H new ATOM 0 HG3 GLN A 38 13.225 -2.916 -7.391 1.00 43.21 H new ATOM 0 HE21 GLN A 38 16.611 -3.963 -7.430 1.00 40.33 H new ATOM 0 HE22 GLN A 38 17.305 -2.402 -6.981 1.00 40.33 H new ATOM 600 N ASP A 39 10.873 -3.213 -4.984 1.00 33.41 N ATOM 601 CA ASP A 39 9.619 -2.462 -5.202 1.00 72.33 C ATOM 602 C ASP A 39 9.396 -1.448 -4.077 1.00 22.31 C ATOM 603 O ASP A 39 9.084 -0.303 -4.344 1.00 33.44 O ATOM 604 CB ASP A 39 8.386 -3.402 -5.292 1.00 70.33 C ATOM 605 CG ASP A 39 8.402 -4.314 -6.523 1.00 41.30 C ATOM 606 OD1 ASP A 39 8.083 -3.834 -7.635 1.00 61.00 O ATOM 607 OD2 ASP A 39 8.753 -5.506 -6.391 1.00 42.32 O ATOM 0 H ASP A 39 10.738 -4.220 -4.891 1.00 33.41 H new ATOM 0 HA ASP A 39 9.724 -1.941 -6.154 1.00 72.33 H new ATOM 0 HB2 ASP A 39 8.342 -4.018 -4.394 1.00 70.33 H new ATOM 0 HB3 ASP A 39 7.479 -2.798 -5.309 1.00 70.33 H new ATOM 612 N ILE A 40 9.601 -1.908 -2.826 1.00 43.42 N ATOM 613 CA ILE A 40 9.471 -1.092 -1.599 1.00 62.31 C ATOM 614 C ILE A 40 10.170 0.287 -1.749 1.00 10.41 C ATOM 615 O ILE A 40 9.522 1.333 -1.624 1.00 21.42 O ATOM 616 CB ILE A 40 10.079 -1.880 -0.366 1.00 52.04 C ATOM 617 CG1 ILE A 40 9.197 -3.120 0.029 1.00 74.12 C ATOM 618 CG2 ILE A 40 10.347 -0.960 0.844 1.00 65.42 C ATOM 619 CD1 ILE A 40 7.800 -2.802 0.528 1.00 72.30 C ATOM 0 H ILE A 40 9.866 -2.874 -2.636 1.00 43.42 H new ATOM 0 HA ILE A 40 8.410 -0.907 -1.429 1.00 62.31 H new ATOM 0 HB ILE A 40 11.047 -2.263 -0.689 1.00 52.04 H new ATOM 0 HG12 ILE A 40 9.113 -3.774 -0.839 1.00 74.12 H new ATOM 0 HG13 ILE A 40 9.720 -3.683 0.802 1.00 74.12 H new ATOM 0 HG21 ILE A 40 10.763 -1.547 1.663 1.00 65.42 H new ATOM 0 HG22 ILE A 40 11.055 -0.182 0.559 1.00 65.42 H new ATOM 0 HG23 ILE A 40 9.412 -0.500 1.166 1.00 65.42 H new ATOM 0 HD11 ILE A 40 7.281 -3.729 0.771 1.00 72.30 H new ATOM 0 HD12 ILE A 40 7.865 -2.178 1.419 1.00 72.30 H new ATOM 0 HD13 ILE A 40 7.249 -2.270 -0.248 1.00 72.30 H new ATOM 631 N ARG A 41 11.480 0.253 -2.079 1.00 25.35 N ATOM 632 CA ARG A 41 12.314 1.471 -2.169 1.00 32.42 C ATOM 633 C ARG A 41 11.993 2.279 -3.444 1.00 2.22 C ATOM 634 O ARG A 41 12.106 3.499 -3.438 1.00 54.14 O ATOM 635 CB ARG A 41 13.823 1.113 -2.124 1.00 13.33 C ATOM 636 CG ARG A 41 14.225 0.149 -0.982 1.00 42.13 C ATOM 637 CD ARG A 41 15.751 -0.045 -0.877 1.00 52.24 C ATOM 638 NE ARG A 41 16.103 -1.275 -0.149 1.00 54.42 N ATOM 639 CZ ARG A 41 16.215 -1.413 1.180 1.00 72.33 C ATOM 640 NH1 ARG A 41 16.013 -0.389 2.012 1.00 2.11 N ATOM 641 NH2 ARG A 41 16.532 -2.594 1.682 1.00 52.43 N ATOM 0 H ARG A 41 11.984 -0.609 -2.288 1.00 25.35 H new ATOM 0 HA ARG A 41 12.079 2.093 -1.306 1.00 32.42 H new ATOM 0 HB2 ARG A 41 14.104 0.664 -3.076 1.00 13.33 H new ATOM 0 HB3 ARG A 41 14.398 2.033 -2.023 1.00 13.33 H new ATOM 0 HG2 ARG A 41 13.846 0.535 -0.036 1.00 42.13 H new ATOM 0 HG3 ARG A 41 13.750 -0.819 -1.145 1.00 42.13 H new ATOM 0 HD2 ARG A 41 16.181 -0.081 -1.878 1.00 52.24 H new ATOM 0 HD3 ARG A 41 16.191 0.814 -0.371 1.00 52.24 H new ATOM 0 HE ARG A 41 16.280 -2.107 -0.713 1.00 54.42 H new ATOM 0 HH11 ARG A 41 15.766 0.529 1.641 1.00 2.11 H new ATOM 0 HH12 ARG A 41 16.105 -0.524 3.019 1.00 2.11 H new ATOM 0 HH21 ARG A 41 16.688 -3.387 1.060 1.00 52.43 H new ATOM 0 HH22 ARG A 41 16.620 -2.712 2.691 1.00 52.43 H new ATOM 655 N ASP A 42 11.586 1.569 -4.519 1.00 54.21 N ATOM 656 CA ASP A 42 11.193 2.173 -5.817 1.00 20.24 C ATOM 657 C ASP A 42 9.929 3.052 -5.666 1.00 13.11 C ATOM 658 O ASP A 42 9.869 4.165 -6.207 1.00 21.12 O ATOM 659 CB ASP A 42 10.949 1.045 -6.869 1.00 30.14 C ATOM 660 CG ASP A 42 10.362 1.557 -8.202 1.00 42.34 C ATOM 661 OD1 ASP A 42 11.103 2.166 -8.989 1.00 52.42 O ATOM 662 OD2 ASP A 42 9.157 1.344 -8.465 1.00 5.31 O ATOM 0 H ASP A 42 11.519 0.551 -4.513 1.00 54.21 H new ATOM 0 HA ASP A 42 12.005 2.815 -6.159 1.00 20.24 H new ATOM 0 HB2 ASP A 42 11.892 0.536 -7.069 1.00 30.14 H new ATOM 0 HB3 ASP A 42 10.271 0.304 -6.444 1.00 30.14 H new ATOM 667 N ILE A 43 8.947 2.535 -4.911 1.00 14.44 N ATOM 668 CA ILE A 43 7.649 3.200 -4.691 1.00 31.21 C ATOM 669 C ILE A 43 7.826 4.457 -3.817 1.00 73.33 C ATOM 670 O ILE A 43 7.275 5.512 -4.122 1.00 54.15 O ATOM 671 CB ILE A 43 6.613 2.221 -4.014 1.00 45.00 C ATOM 672 CG1 ILE A 43 6.364 0.950 -4.898 1.00 55.43 C ATOM 673 CG2 ILE A 43 5.280 2.948 -3.726 1.00 43.43 C ATOM 674 CD1 ILE A 43 5.699 -0.215 -4.168 1.00 52.42 C ATOM 0 H ILE A 43 9.030 1.638 -4.432 1.00 14.44 H new ATOM 0 HA ILE A 43 7.260 3.494 -5.666 1.00 31.21 H new ATOM 0 HB ILE A 43 7.041 1.892 -3.067 1.00 45.00 H new ATOM 0 HG12 ILE A 43 5.742 1.231 -5.748 1.00 55.43 H new ATOM 0 HG13 ILE A 43 7.319 0.611 -5.300 1.00 55.43 H new ATOM 0 HG21 ILE A 43 4.581 2.254 -3.259 1.00 43.43 H new ATOM 0 HG22 ILE A 43 5.461 3.787 -3.055 1.00 43.43 H new ATOM 0 HG23 ILE A 43 4.857 3.316 -4.661 1.00 43.43 H new ATOM 0 HD11 ILE A 43 5.567 -1.049 -4.858 1.00 52.42 H new ATOM 0 HD12 ILE A 43 6.328 -0.529 -3.335 1.00 52.42 H new ATOM 0 HD13 ILE A 43 4.727 0.100 -3.789 1.00 52.42 H new ATOM 686 N ILE A 44 8.617 4.322 -2.740 1.00 31.40 N ATOM 687 CA ILE A 44 8.921 5.430 -1.816 1.00 11.30 C ATOM 688 C ILE A 44 9.803 6.495 -2.518 1.00 60.01 C ATOM 689 O ILE A 44 9.667 7.706 -2.268 1.00 53.22 O ATOM 690 CB ILE A 44 9.586 4.870 -0.502 1.00 50.13 C ATOM 691 CG1 ILE A 44 8.575 3.919 0.219 1.00 75.25 C ATOM 692 CG2 ILE A 44 10.059 6.000 0.450 1.00 51.22 C ATOM 693 CD1 ILE A 44 9.120 3.207 1.436 1.00 1.31 C ATOM 0 H ILE A 44 9.064 3.442 -2.484 1.00 31.40 H new ATOM 0 HA ILE A 44 7.995 5.926 -1.526 1.00 11.30 H new ATOM 0 HB ILE A 44 10.480 4.313 -0.784 1.00 50.13 H new ATOM 0 HG12 ILE A 44 7.703 4.501 0.518 1.00 75.25 H new ATOM 0 HG13 ILE A 44 8.230 3.172 -0.496 1.00 75.25 H new ATOM 0 HG21 ILE A 44 10.510 5.561 1.340 1.00 51.22 H new ATOM 0 HG22 ILE A 44 10.795 6.622 -0.060 1.00 51.22 H new ATOM 0 HG23 ILE A 44 9.205 6.612 0.740 1.00 51.22 H new ATOM 0 HD11 ILE A 44 8.344 2.573 1.864 1.00 1.31 H new ATOM 0 HD12 ILE A 44 9.972 2.592 1.147 1.00 1.31 H new ATOM 0 HD13 ILE A 44 9.437 3.942 2.176 1.00 1.31 H new ATOM 705 N LYS A 45 10.663 6.031 -3.446 1.00 64.41 N ATOM 706 CA LYS A 45 11.476 6.916 -4.297 1.00 23.13 C ATOM 707 C LYS A 45 10.570 7.698 -5.270 1.00 5.41 C ATOM 708 O LYS A 45 10.860 8.843 -5.580 1.00 14.50 O ATOM 709 CB LYS A 45 12.568 6.105 -5.044 1.00 60.03 C ATOM 710 CG LYS A 45 13.591 6.955 -5.841 1.00 3.34 C ATOM 711 CD LYS A 45 14.842 6.148 -6.266 1.00 54.34 C ATOM 712 CE LYS A 45 14.515 4.929 -7.153 1.00 0.32 C ATOM 713 NZ LYS A 45 13.941 5.321 -8.465 1.00 71.12 N ATOM 0 H LYS A 45 10.812 5.038 -3.625 1.00 64.41 H new ATOM 0 HA LYS A 45 11.990 7.643 -3.667 1.00 23.13 H new ATOM 0 HB2 LYS A 45 13.110 5.500 -4.317 1.00 60.03 H new ATOM 0 HB3 LYS A 45 12.079 5.415 -5.731 1.00 60.03 H new ATOM 0 HG2 LYS A 45 13.106 7.359 -6.730 1.00 3.34 H new ATOM 0 HG3 LYS A 45 13.902 7.805 -5.233 1.00 3.34 H new ATOM 0 HD2 LYS A 45 15.524 6.806 -6.804 1.00 54.34 H new ATOM 0 HD3 LYS A 45 15.366 5.808 -5.373 1.00 54.34 H new ATOM 0 HE2 LYS A 45 15.423 4.348 -7.316 1.00 0.32 H new ATOM 0 HE3 LYS A 45 13.811 4.281 -6.630 1.00 0.32 H new ATOM 0 HZ1 LYS A 45 13.738 4.468 -9.024 1.00 71.12 H new ATOM 0 HZ2 LYS A 45 13.060 5.853 -8.314 1.00 71.12 H new ATOM 0 HZ3 LYS A 45 14.622 5.917 -8.978 1.00 71.12 H new ATOM 727 N SER A 46 9.455 7.063 -5.698 1.00 12.34 N ATOM 728 CA SER A 46 8.407 7.697 -6.530 1.00 34.21 C ATOM 729 C SER A 46 7.558 8.688 -5.700 1.00 41.42 C ATOM 730 O SER A 46 7.112 9.719 -6.224 1.00 52.41 O ATOM 731 CB SER A 46 7.509 6.599 -7.155 1.00 61.25 C ATOM 732 OG SER A 46 6.492 7.143 -7.984 1.00 44.20 O ATOM 0 H SER A 46 9.256 6.088 -5.474 1.00 12.34 H new ATOM 0 HA SER A 46 8.889 8.265 -7.326 1.00 34.21 H new ATOM 0 HB2 SER A 46 8.126 5.917 -7.740 1.00 61.25 H new ATOM 0 HB3 SER A 46 7.051 6.011 -6.360 1.00 61.25 H new ATOM 0 HG SER A 46 5.951 6.416 -8.358 1.00 44.20 H new ATOM 738 N MET A 47 7.347 8.358 -4.405 1.00 4.14 N ATOM 739 CA MET A 47 6.633 9.230 -3.445 1.00 11.55 C ATOM 740 C MET A 47 7.360 10.580 -3.311 1.00 33.11 C ATOM 741 O MET A 47 6.725 11.626 -3.180 1.00 44.22 O ATOM 742 CB MET A 47 6.545 8.549 -2.047 1.00 73.52 C ATOM 743 CG MET A 47 5.621 7.322 -1.976 1.00 53.52 C ATOM 744 SD MET A 47 3.881 7.754 -2.117 1.00 12.45 S ATOM 745 CE MET A 47 3.629 8.681 -0.610 1.00 4.04 C ATOM 0 H MET A 47 7.667 7.480 -3.997 1.00 4.14 H new ATOM 0 HA MET A 47 5.624 9.397 -3.823 1.00 11.55 H new ATOM 0 HB2 MET A 47 7.547 8.248 -1.743 1.00 73.52 H new ATOM 0 HB3 MET A 47 6.200 9.286 -1.322 1.00 73.52 H new ATOM 0 HG2 MET A 47 5.884 6.627 -2.774 1.00 53.52 H new ATOM 0 HG3 MET A 47 5.787 6.802 -1.033 1.00 53.52 H new ATOM 0 HE1 MET A 47 2.561 8.771 -0.412 1.00 4.04 H new ATOM 0 HE2 MET A 47 4.109 8.163 0.220 1.00 4.04 H new ATOM 0 HE3 MET A 47 4.063 9.675 -0.717 1.00 4.04 H new ATOM 755 N LYS A 48 8.703 10.518 -3.323 1.00 41.55 N ATOM 756 CA LYS A 48 9.579 11.708 -3.270 1.00 15.12 C ATOM 757 C LYS A 48 9.753 12.363 -4.657 1.00 61.24 C ATOM 758 O LYS A 48 9.771 13.596 -4.765 1.00 50.51 O ATOM 759 CB LYS A 48 10.954 11.305 -2.705 1.00 5.41 C ATOM 760 CG LYS A 48 10.924 10.780 -1.256 1.00 24.41 C ATOM 761 CD LYS A 48 12.304 10.250 -0.816 1.00 20.35 C ATOM 762 CE LYS A 48 12.710 8.955 -1.543 1.00 22.53 C ATOM 763 NZ LYS A 48 14.107 8.549 -1.243 1.00 32.11 N ATOM 0 H LYS A 48 9.217 9.638 -3.370 1.00 41.55 H new ATOM 0 HA LYS A 48 9.106 12.444 -2.620 1.00 15.12 H new ATOM 0 HB2 LYS A 48 11.385 10.537 -3.347 1.00 5.41 H new ATOM 0 HB3 LYS A 48 11.618 12.168 -2.751 1.00 5.41 H new ATOM 0 HG2 LYS A 48 10.610 11.580 -0.585 1.00 24.41 H new ATOM 0 HG3 LYS A 48 10.184 9.984 -1.172 1.00 24.41 H new ATOM 0 HD2 LYS A 48 13.057 11.016 -1.001 1.00 20.35 H new ATOM 0 HD3 LYS A 48 12.292 10.068 0.259 1.00 20.35 H new ATOM 0 HE2 LYS A 48 12.032 8.152 -1.254 1.00 22.53 H new ATOM 0 HE3 LYS A 48 12.599 9.095 -2.618 1.00 22.53 H new ATOM 0 HZ1 LYS A 48 14.700 8.699 -2.084 1.00 32.11 H new ATOM 0 HZ2 LYS A 48 14.473 9.120 -0.455 1.00 32.11 H new ATOM 0 HZ3 LYS A 48 14.127 7.543 -0.980 1.00 32.11 H new ATOM 777 N ASP A 49 9.883 11.510 -5.694 1.00 75.33 N ATOM 778 CA ASP A 49 10.201 11.920 -7.082 1.00 45.33 C ATOM 779 C ASP A 49 9.150 12.888 -7.634 1.00 25.34 C ATOM 780 O ASP A 49 9.493 13.939 -8.190 1.00 74.32 O ATOM 781 CB ASP A 49 10.316 10.664 -7.994 1.00 74.44 C ATOM 782 CG ASP A 49 10.587 10.992 -9.470 1.00 74.34 C ATOM 783 OD1 ASP A 49 11.716 11.413 -9.790 1.00 31.11 O ATOM 784 OD2 ASP A 49 9.674 10.838 -10.313 1.00 22.31 O ATOM 0 H ASP A 49 9.769 10.502 -5.592 1.00 75.33 H new ATOM 0 HA ASP A 49 11.158 12.443 -7.071 1.00 45.33 H new ATOM 0 HB2 ASP A 49 11.118 10.027 -7.620 1.00 74.44 H new ATOM 0 HB3 ASP A 49 9.393 10.089 -7.923 1.00 74.44 H new ATOM 789 N ASN A 50 7.876 12.509 -7.471 1.00 21.23 N ATOM 790 CA ASN A 50 6.739 13.358 -7.846 1.00 74.20 C ATOM 791 C ASN A 50 6.414 14.296 -6.668 1.00 11.50 C ATOM 792 O ASN A 50 6.354 15.518 -6.837 1.00 2.00 O ATOM 793 CB ASN A 50 5.510 12.471 -8.225 1.00 31.31 C ATOM 794 CG ASN A 50 4.396 13.158 -9.057 1.00 1.43 C ATOM 795 OD1 ASN A 50 3.725 12.497 -9.860 1.00 20.00 O ATOM 796 ND2 ASN A 50 4.160 14.457 -8.888 1.00 34.51 N ATOM 0 H ASN A 50 7.605 11.608 -7.077 1.00 21.23 H new ATOM 0 HA ASN A 50 6.989 13.961 -8.719 1.00 74.20 H new ATOM 0 HB2 ASN A 50 5.871 11.608 -8.784 1.00 31.31 H new ATOM 0 HB3 ASN A 50 5.065 12.092 -7.305 1.00 31.31 H new ATOM 0 HD21 ASN A 50 3.422 14.915 -9.422 1.00 34.51 H new ATOM 0 HD22 ASN A 50 4.718 14.995 -8.224 1.00 34.51 H new ATOM 803 N GLY A 51 6.282 13.709 -5.463 1.00 33.51 N ATOM 804 CA GLY A 51 5.742 14.417 -4.298 1.00 51.45 C ATOM 805 C GLY A 51 4.242 14.217 -4.205 1.00 72.15 C ATOM 806 O GLY A 51 3.473 15.187 -4.171 1.00 41.30 O ATOM 0 H GLY A 51 6.545 12.741 -5.276 1.00 33.51 H new ATOM 0 HA2 GLY A 51 6.221 14.052 -3.389 1.00 51.45 H new ATOM 0 HA3 GLY A 51 5.969 15.480 -4.373 1.00 51.45 H new ATOM 810 N LYS A 52 3.821 12.943 -4.168 1.00 54.15 N ATOM 811 CA LYS A 52 2.400 12.560 -4.301 1.00 21.10 C ATOM 812 C LYS A 52 2.036 11.443 -3.298 1.00 52.33 C ATOM 813 O LYS A 52 2.938 10.790 -2.771 1.00 31.31 O ATOM 814 CB LYS A 52 2.125 12.082 -5.762 1.00 14.33 C ATOM 815 CG LYS A 52 2.717 10.691 -6.133 1.00 13.31 C ATOM 816 CD LYS A 52 2.426 10.272 -7.598 1.00 24.33 C ATOM 817 CE LYS A 52 0.926 10.278 -7.953 1.00 70.25 C ATOM 818 NZ LYS A 52 0.126 9.370 -7.085 1.00 40.55 N ATOM 0 H LYS A 52 4.450 12.150 -4.046 1.00 54.15 H new ATOM 0 HA LYS A 52 1.780 13.429 -4.080 1.00 21.10 H new ATOM 0 HB2 LYS A 52 1.047 12.053 -5.920 1.00 14.33 H new ATOM 0 HB3 LYS A 52 2.528 12.825 -6.451 1.00 14.33 H new ATOM 0 HG2 LYS A 52 3.795 10.709 -5.975 1.00 13.31 H new ATOM 0 HG3 LYS A 52 2.308 9.938 -5.459 1.00 13.31 H new ATOM 0 HD2 LYS A 52 2.953 10.947 -8.272 1.00 24.33 H new ATOM 0 HD3 LYS A 52 2.828 9.273 -7.768 1.00 24.33 H new ATOM 0 HE2 LYS A 52 0.540 11.293 -7.863 1.00 70.25 H new ATOM 0 HE3 LYS A 52 0.802 9.981 -8.994 1.00 70.25 H new ATOM 0 HZ1 LYS A 52 -0.869 9.387 -7.388 1.00 40.55 H new ATOM 0 HZ2 LYS A 52 0.495 8.401 -7.163 1.00 40.55 H new ATOM 0 HZ3 LYS A 52 0.192 9.687 -6.097 1.00 40.55 H new ATOM 832 N PRO A 53 0.715 11.234 -2.978 1.00 11.20 N ATOM 833 CA PRO A 53 0.261 10.019 -2.255 1.00 70.32 C ATOM 834 C PRO A 53 0.194 8.757 -3.153 1.00 21.23 C ATOM 835 O PRO A 53 0.033 8.861 -4.377 1.00 33.11 O ATOM 836 CB PRO A 53 -1.146 10.423 -1.754 1.00 50.42 C ATOM 837 CG PRO A 53 -1.644 11.421 -2.758 1.00 44.53 C ATOM 838 CD PRO A 53 -0.415 12.194 -3.208 1.00 61.25 C ATOM 0 HA PRO A 53 0.952 9.735 -1.462 1.00 70.32 H new ATOM 0 HB2 PRO A 53 -1.807 9.559 -1.695 1.00 50.42 H new ATOM 0 HB3 PRO A 53 -1.100 10.857 -0.755 1.00 50.42 H new ATOM 0 HG2 PRO A 53 -2.125 10.924 -3.600 1.00 44.53 H new ATOM 0 HG3 PRO A 53 -2.385 12.086 -2.315 1.00 44.53 H new ATOM 0 HD2 PRO A 53 -0.486 12.484 -4.256 1.00 61.25 H new ATOM 0 HD3 PRO A 53 -0.285 13.110 -2.632 1.00 61.25 H new ATOM 846 N LEU A 54 0.308 7.569 -2.519 1.00 15.32 N ATOM 847 CA LEU A 54 0.226 6.244 -3.205 1.00 62.43 C ATOM 848 C LEU A 54 -0.450 5.200 -2.294 1.00 2.13 C ATOM 849 O LEU A 54 -0.698 5.463 -1.124 1.00 73.14 O ATOM 850 CB LEU A 54 1.647 5.742 -3.647 1.00 25.51 C ATOM 851 CG LEU A 54 2.254 6.394 -4.937 1.00 1.22 C ATOM 852 CD1 LEU A 54 3.713 5.945 -5.173 1.00 53.00 C ATOM 853 CD2 LEU A 54 1.381 6.078 -6.167 1.00 52.41 C ATOM 0 H LEU A 54 0.460 7.493 -1.513 1.00 15.32 H new ATOM 0 HA LEU A 54 -0.382 6.372 -4.101 1.00 62.43 H new ATOM 0 HB2 LEU A 54 2.339 5.911 -2.822 1.00 25.51 H new ATOM 0 HB3 LEU A 54 1.594 4.665 -3.803 1.00 25.51 H new ATOM 0 HG LEU A 54 2.265 7.473 -4.785 1.00 1.22 H new ATOM 0 HD11 LEU A 54 4.098 6.418 -6.076 1.00 53.00 H new ATOM 0 HD12 LEU A 54 4.326 6.238 -4.321 1.00 53.00 H new ATOM 0 HD13 LEU A 54 3.746 4.862 -5.289 1.00 53.00 H new ATOM 0 HD21 LEU A 54 1.819 6.539 -7.052 1.00 52.41 H new ATOM 0 HD22 LEU A 54 1.329 4.998 -6.308 1.00 52.41 H new ATOM 0 HD23 LEU A 54 0.377 6.472 -6.012 1.00 52.41 H new ATOM 865 N VAL A 55 -0.750 4.008 -2.857 1.00 53.33 N ATOM 866 CA VAL A 55 -1.318 2.856 -2.110 1.00 11.03 C ATOM 867 C VAL A 55 -0.491 1.602 -2.450 1.00 73.05 C ATOM 868 O VAL A 55 -0.460 1.194 -3.608 1.00 13.23 O ATOM 869 CB VAL A 55 -2.840 2.592 -2.475 1.00 62.42 C ATOM 870 CG1 VAL A 55 -3.421 1.397 -1.679 1.00 75.52 C ATOM 871 CG2 VAL A 55 -3.705 3.858 -2.270 1.00 72.22 C ATOM 0 H VAL A 55 -0.605 3.814 -3.848 1.00 53.33 H new ATOM 0 HA VAL A 55 -1.274 3.085 -1.045 1.00 11.03 H new ATOM 0 HB VAL A 55 -2.870 2.334 -3.534 1.00 62.42 H new ATOM 0 HG11 VAL A 55 -4.464 1.248 -1.956 1.00 75.52 H new ATOM 0 HG12 VAL A 55 -2.852 0.496 -1.908 1.00 75.52 H new ATOM 0 HG13 VAL A 55 -3.356 1.605 -0.611 1.00 75.52 H new ATOM 0 HG21 VAL A 55 -4.740 3.637 -2.530 1.00 72.22 H new ATOM 0 HG22 VAL A 55 -3.652 4.170 -1.227 1.00 72.22 H new ATOM 0 HG23 VAL A 55 -3.333 4.660 -2.908 1.00 72.22 H new ATOM 881 N VAL A 56 0.200 1.013 -1.452 1.00 43.10 N ATOM 882 CA VAL A 56 1.009 -0.216 -1.641 1.00 0.45 C ATOM 883 C VAL A 56 0.312 -1.438 -1.030 1.00 25.41 C ATOM 884 O VAL A 56 0.243 -1.568 0.195 1.00 13.24 O ATOM 885 CB VAL A 56 2.441 -0.070 -1.002 1.00 31.23 C ATOM 886 CG1 VAL A 56 3.300 -1.352 -1.186 1.00 53.34 C ATOM 887 CG2 VAL A 56 3.156 1.156 -1.580 1.00 22.31 C ATOM 0 H VAL A 56 0.215 1.371 -0.497 1.00 43.10 H new ATOM 0 HA VAL A 56 1.113 -0.360 -2.716 1.00 0.45 H new ATOM 0 HB VAL A 56 2.310 0.070 0.071 1.00 31.23 H new ATOM 0 HG11 VAL A 56 4.278 -1.203 -0.729 1.00 53.34 H new ATOM 0 HG12 VAL A 56 2.801 -2.196 -0.709 1.00 53.34 H new ATOM 0 HG13 VAL A 56 3.424 -1.558 -2.249 1.00 53.34 H new ATOM 0 HG21 VAL A 56 4.145 1.246 -1.130 1.00 22.31 H new ATOM 0 HG22 VAL A 56 3.257 1.043 -2.659 1.00 22.31 H new ATOM 0 HG23 VAL A 56 2.575 2.052 -1.362 1.00 22.31 H new ATOM 897 N PHE A 57 -0.213 -2.321 -1.888 1.00 23.15 N ATOM 898 CA PHE A 57 -0.657 -3.656 -1.476 1.00 73.22 C ATOM 899 C PHE A 57 0.581 -4.575 -1.351 1.00 13.34 C ATOM 900 O PHE A 57 1.320 -4.752 -2.323 1.00 15.42 O ATOM 901 CB PHE A 57 -1.667 -4.239 -2.510 1.00 23.13 C ATOM 902 CG PHE A 57 -3.022 -3.518 -2.568 1.00 40.31 C ATOM 903 CD1 PHE A 57 -3.183 -2.332 -3.288 1.00 44.20 C ATOM 904 CD2 PHE A 57 -4.138 -4.031 -1.904 1.00 34.23 C ATOM 905 CE1 PHE A 57 -4.412 -1.692 -3.336 1.00 41.43 C ATOM 906 CE2 PHE A 57 -5.363 -3.390 -1.955 1.00 0.33 C ATOM 907 CZ PHE A 57 -5.499 -2.219 -2.669 1.00 70.15 C ATOM 0 H PHE A 57 -0.341 -2.131 -2.882 1.00 23.15 H new ATOM 0 HA PHE A 57 -1.164 -3.592 -0.513 1.00 73.22 H new ATOM 0 HB2 PHE A 57 -1.211 -4.205 -3.500 1.00 23.13 H new ATOM 0 HB3 PHE A 57 -1.840 -5.289 -2.274 1.00 23.13 H new ATOM 0 HD1 PHE A 57 -2.340 -1.908 -3.814 1.00 44.20 H new ATOM 0 HD2 PHE A 57 -4.043 -4.947 -1.339 1.00 34.23 H new ATOM 0 HE1 PHE A 57 -4.519 -0.776 -3.898 1.00 41.43 H new ATOM 0 HE2 PHE A 57 -6.213 -3.807 -1.435 1.00 0.33 H new ATOM 0 HZ PHE A 57 -6.454 -1.715 -2.706 1.00 70.15 H new ATOM 917 N VAL A 58 0.862 -5.095 -0.142 1.00 3.52 N ATOM 918 CA VAL A 58 1.884 -6.151 0.042 1.00 10.23 C ATOM 919 C VAL A 58 1.173 -7.520 0.122 1.00 21.14 C ATOM 920 O VAL A 58 0.367 -7.772 1.034 1.00 73.54 O ATOM 921 CB VAL A 58 2.838 -5.898 1.283 1.00 50.30 C ATOM 922 CG1 VAL A 58 3.681 -4.619 1.090 1.00 44.25 C ATOM 923 CG2 VAL A 58 2.086 -5.846 2.630 1.00 73.40 C ATOM 0 H VAL A 58 0.400 -4.805 0.720 1.00 3.52 H new ATOM 0 HA VAL A 58 2.550 -6.134 -0.820 1.00 10.23 H new ATOM 0 HB VAL A 58 3.504 -6.760 1.326 1.00 50.30 H new ATOM 0 HG11 VAL A 58 4.325 -4.473 1.958 1.00 44.25 H new ATOM 0 HG12 VAL A 58 4.295 -4.720 0.195 1.00 44.25 H new ATOM 0 HG13 VAL A 58 3.019 -3.760 0.981 1.00 44.25 H new ATOM 0 HG21 VAL A 58 2.797 -5.670 3.437 1.00 73.40 H new ATOM 0 HG22 VAL A 58 1.355 -5.038 2.608 1.00 73.40 H new ATOM 0 HG23 VAL A 58 1.574 -6.794 2.798 1.00 73.40 H new ATOM 933 N ASN A 59 1.433 -8.385 -0.878 1.00 23.32 N ATOM 934 CA ASN A 59 0.708 -9.663 -1.044 1.00 55.43 C ATOM 935 C ASN A 59 1.210 -10.718 -0.052 1.00 43.31 C ATOM 936 O ASN A 59 2.118 -11.494 -0.370 1.00 13.31 O ATOM 937 CB ASN A 59 0.795 -10.199 -2.506 1.00 65.43 C ATOM 938 CG ASN A 59 0.106 -9.308 -3.545 1.00 10.24 C ATOM 939 OD1 ASN A 59 -0.775 -8.521 -3.227 1.00 62.12 O ATOM 940 ND2 ASN A 59 0.475 -9.462 -4.803 1.00 3.02 N ATOM 0 H ASN A 59 2.146 -8.221 -1.589 1.00 23.32 H new ATOM 0 HA ASN A 59 -0.342 -9.461 -0.830 1.00 55.43 H new ATOM 0 HB2 ASN A 59 1.845 -10.310 -2.778 1.00 65.43 H new ATOM 0 HB3 ASN A 59 0.349 -11.193 -2.544 1.00 65.43 H new ATOM 0 HD21 ASN A 59 0.023 -8.918 -5.537 1.00 3.02 H new ATOM 0 HD22 ASN A 59 1.213 -10.125 -5.041 1.00 3.02 H new ATOM 947 N GLY A 60 0.619 -10.710 1.168 1.00 31.50 N ATOM 948 CA GLY A 60 0.997 -11.637 2.246 1.00 31.03 C ATOM 949 C GLY A 60 2.482 -11.592 2.583 1.00 11.22 C ATOM 950 O GLY A 60 3.053 -12.587 3.035 1.00 53.30 O ATOM 0 H GLY A 60 -0.127 -10.063 1.424 1.00 31.50 H new ATOM 0 HA2 GLY A 60 0.421 -11.399 3.140 1.00 31.03 H new ATOM 0 HA3 GLY A 60 0.728 -12.652 1.954 1.00 31.03 H new ATOM 954 N ALA A 61 3.093 -10.417 2.351 1.00 23.23 N ATOM 955 CA ALA A 61 4.548 -10.243 2.360 1.00 11.42 C ATOM 956 C ALA A 61 5.113 -10.265 3.787 1.00 74.14 C ATOM 957 O ALA A 61 4.423 -9.908 4.752 1.00 74.30 O ATOM 958 CB ALA A 61 4.914 -8.942 1.621 1.00 11.40 C ATOM 0 H ALA A 61 2.583 -9.557 2.151 1.00 23.23 H new ATOM 0 HA ALA A 61 5.005 -11.083 1.836 1.00 11.42 H new ATOM 0 HB1 ALA A 61 5.996 -8.812 1.627 1.00 11.40 H new ATOM 0 HB2 ALA A 61 4.561 -8.997 0.591 1.00 11.40 H new ATOM 0 HB3 ALA A 61 4.444 -8.095 2.121 1.00 11.40 H new ATOM 964 N SER A 62 6.383 -10.681 3.885 1.00 53.40 N ATOM 965 CA SER A 62 7.093 -10.872 5.152 1.00 70.12 C ATOM 966 C SER A 62 7.404 -9.527 5.825 1.00 4.31 C ATOM 967 O SER A 62 7.455 -8.486 5.163 1.00 54.14 O ATOM 968 CB SER A 62 8.389 -11.663 4.871 1.00 44.42 C ATOM 969 OG SER A 62 8.108 -12.861 4.161 1.00 60.45 O ATOM 0 H SER A 62 6.955 -10.898 3.068 1.00 53.40 H new ATOM 0 HA SER A 62 6.462 -11.432 5.842 1.00 70.12 H new ATOM 0 HB2 SER A 62 9.078 -11.047 4.294 1.00 44.42 H new ATOM 0 HB3 SER A 62 8.886 -11.901 5.812 1.00 44.42 H new ATOM 0 HG SER A 62 8.943 -13.345 3.992 1.00 60.45 H new ATOM 975 N GLN A 63 7.642 -9.575 7.145 1.00 12.15 N ATOM 976 CA GLN A 63 7.886 -8.370 7.963 1.00 21.31 C ATOM 977 C GLN A 63 9.199 -7.644 7.556 1.00 53.11 C ATOM 978 O GLN A 63 9.356 -6.469 7.858 1.00 40.31 O ATOM 979 CB GLN A 63 7.886 -8.738 9.487 1.00 5.33 C ATOM 980 CG GLN A 63 8.047 -7.535 10.460 1.00 63.43 C ATOM 981 CD GLN A 63 6.994 -6.432 10.272 1.00 52.13 C ATOM 982 OE1 GLN A 63 5.854 -6.680 9.880 1.00 30.30 O ATOM 983 NE2 GLN A 63 7.370 -5.199 10.557 1.00 30.12 N ATOM 0 H GLN A 63 7.671 -10.445 7.676 1.00 12.15 H new ATOM 0 HA GLN A 63 7.072 -7.670 7.776 1.00 21.31 H new ATOM 0 HB2 GLN A 63 6.953 -9.251 9.720 1.00 5.33 H new ATOM 0 HB3 GLN A 63 8.694 -9.446 9.673 1.00 5.33 H new ATOM 0 HG2 GLN A 63 7.995 -7.901 11.485 1.00 63.43 H new ATOM 0 HG3 GLN A 63 9.039 -7.103 10.326 1.00 63.43 H new ATOM 0 HE21 GLN A 63 8.320 -5.017 10.880 1.00 30.12 H new ATOM 0 HE22 GLN A 63 6.710 -4.428 10.454 1.00 30.12 H new ATOM 992 N ASN A 64 10.109 -8.342 6.842 1.00 32.42 N ATOM 993 CA ASN A 64 11.413 -7.785 6.418 1.00 72.31 C ATOM 994 C ASN A 64 11.220 -6.603 5.443 1.00 45.25 C ATOM 995 O ASN A 64 11.760 -5.516 5.680 1.00 41.20 O ATOM 996 CB ASN A 64 12.311 -8.895 5.785 1.00 22.31 C ATOM 997 CG ASN A 64 13.791 -8.490 5.615 1.00 52.24 C ATOM 998 OD1 ASN A 64 14.129 -7.325 5.412 1.00 74.52 O ATOM 999 ND2 ASN A 64 14.688 -9.462 5.699 1.00 63.31 N ATOM 0 H ASN A 64 9.961 -9.306 6.544 1.00 32.42 H new ATOM 0 HA ASN A 64 11.922 -7.405 7.304 1.00 72.31 H new ATOM 0 HB2 ASN A 64 12.259 -9.788 6.408 1.00 22.31 H new ATOM 0 HB3 ASN A 64 11.905 -9.163 4.810 1.00 22.31 H new ATOM 0 HD21 ASN A 64 15.680 -9.251 5.595 1.00 63.31 H new ATOM 0 HD22 ASN A 64 14.386 -10.421 5.868 1.00 63.31 H new ATOM 1006 N ASP A 65 10.438 -6.818 4.361 1.00 33.12 N ATOM 1007 CA ASP A 65 10.151 -5.751 3.368 1.00 34.20 C ATOM 1008 C ASP A 65 9.240 -4.664 3.969 1.00 51.23 C ATOM 1009 O ASP A 65 9.346 -3.496 3.598 1.00 52.14 O ATOM 1010 CB ASP A 65 9.540 -6.317 2.053 1.00 44.43 C ATOM 1011 CG ASP A 65 8.185 -7.021 2.230 1.00 51.22 C ATOM 1012 OD1 ASP A 65 7.133 -6.345 2.199 1.00 40.52 O ATOM 1013 OD2 ASP A 65 8.177 -8.266 2.383 1.00 44.41 O ATOM 0 H ASP A 65 9.996 -7.713 4.152 1.00 33.12 H new ATOM 0 HA ASP A 65 11.107 -5.296 3.109 1.00 34.20 H new ATOM 0 HB2 ASP A 65 9.420 -5.500 1.342 1.00 44.43 H new ATOM 0 HB3 ASP A 65 10.246 -7.021 1.613 1.00 44.43 H new ATOM 1018 N VAL A 66 8.348 -5.076 4.905 1.00 2.31 N ATOM 1019 CA VAL A 66 7.494 -4.149 5.674 1.00 70.11 C ATOM 1020 C VAL A 66 8.356 -3.224 6.566 1.00 44.44 C ATOM 1021 O VAL A 66 8.054 -2.039 6.705 1.00 12.13 O ATOM 1022 CB VAL A 66 6.436 -4.937 6.543 1.00 33.44 C ATOM 1023 CG1 VAL A 66 5.583 -3.986 7.421 1.00 10.01 C ATOM 1024 CG2 VAL A 66 5.531 -5.811 5.634 1.00 62.23 C ATOM 0 H VAL A 66 8.204 -6.057 5.144 1.00 2.31 H new ATOM 0 HA VAL A 66 6.948 -3.529 4.963 1.00 70.11 H new ATOM 0 HB VAL A 66 6.987 -5.590 7.220 1.00 33.44 H new ATOM 0 HG11 VAL A 66 4.869 -4.570 8.002 1.00 10.01 H new ATOM 0 HG12 VAL A 66 6.235 -3.433 8.097 1.00 10.01 H new ATOM 0 HG13 VAL A 66 5.045 -3.286 6.782 1.00 10.01 H new ATOM 0 HG21 VAL A 66 4.808 -6.347 6.248 1.00 62.23 H new ATOM 0 HG22 VAL A 66 5.003 -5.173 4.925 1.00 62.23 H new ATOM 0 HG23 VAL A 66 6.146 -6.527 5.089 1.00 62.23 H new ATOM 1034 N ASN A 67 9.448 -3.775 7.135 1.00 53.24 N ATOM 1035 CA ASN A 67 10.409 -3.004 7.956 1.00 12.51 C ATOM 1036 C ASN A 67 11.125 -1.987 7.081 1.00 31.13 C ATOM 1037 O ASN A 67 11.188 -0.818 7.431 1.00 32.05 O ATOM 1038 CB ASN A 67 11.457 -3.917 8.662 1.00 0.01 C ATOM 1039 CG ASN A 67 10.905 -4.646 9.884 1.00 33.42 C ATOM 1040 OD1 ASN A 67 10.051 -4.127 10.607 1.00 41.51 O ATOM 1041 ND2 ASN A 67 11.395 -5.851 10.121 1.00 31.40 N ATOM 0 H ASN A 67 9.689 -4.762 7.040 1.00 53.24 H new ATOM 0 HA ASN A 67 9.840 -2.499 8.737 1.00 12.51 H new ATOM 0 HB2 ASN A 67 11.827 -4.652 7.947 1.00 0.01 H new ATOM 0 HB3 ASN A 67 12.310 -3.310 8.966 1.00 0.01 H new ATOM 0 HD21 ASN A 67 11.067 -6.386 10.926 1.00 31.40 H new ATOM 0 HD22 ASN A 67 12.101 -6.246 9.499 1.00 31.40 H new ATOM 1048 N GLU A 68 11.618 -2.457 5.918 1.00 35.42 N ATOM 1049 CA GLU A 68 12.326 -1.608 4.947 1.00 74.23 C ATOM 1050 C GLU A 68 11.396 -0.537 4.361 1.00 13.33 C ATOM 1051 O GLU A 68 11.864 0.520 3.964 1.00 13.24 O ATOM 1052 CB GLU A 68 12.946 -2.466 3.814 1.00 33.32 C ATOM 1053 CG GLU A 68 14.002 -3.481 4.299 1.00 11.44 C ATOM 1054 CD GLU A 68 15.147 -2.832 5.108 1.00 50.11 C ATOM 1055 OE1 GLU A 68 16.020 -2.172 4.498 1.00 21.14 O ATOM 1056 OE2 GLU A 68 15.177 -2.965 6.354 1.00 13.31 O ATOM 0 H GLU A 68 11.536 -3.432 5.629 1.00 35.42 H new ATOM 0 HA GLU A 68 13.132 -1.101 5.478 1.00 74.23 H new ATOM 0 HB2 GLU A 68 12.148 -3.004 3.302 1.00 33.32 H new ATOM 0 HB3 GLU A 68 13.405 -1.803 3.080 1.00 33.32 H new ATOM 0 HG2 GLU A 68 13.514 -4.236 4.915 1.00 11.44 H new ATOM 0 HG3 GLU A 68 14.423 -3.997 3.436 1.00 11.44 H new ATOM 1063 N PHE A 69 10.081 -0.823 4.334 1.00 52.44 N ATOM 1064 CA PHE A 69 9.066 0.139 3.887 1.00 64.21 C ATOM 1065 C PHE A 69 8.974 1.284 4.896 1.00 3.14 C ATOM 1066 O PHE A 69 9.087 2.457 4.540 1.00 34.32 O ATOM 1067 CB PHE A 69 7.688 -0.558 3.719 1.00 51.02 C ATOM 1068 CG PHE A 69 6.641 0.318 3.046 1.00 53.23 C ATOM 1069 CD1 PHE A 69 6.586 0.402 1.656 1.00 73.12 C ATOM 1070 CD2 PHE A 69 5.725 1.061 3.790 1.00 34.04 C ATOM 1071 CE1 PHE A 69 5.651 1.191 1.033 1.00 4.21 C ATOM 1072 CE2 PHE A 69 4.790 1.852 3.164 1.00 32.43 C ATOM 1073 CZ PHE A 69 4.753 1.914 1.785 1.00 21.31 C ATOM 0 H PHE A 69 9.697 -1.724 4.621 1.00 52.44 H new ATOM 0 HA PHE A 69 9.356 0.541 2.916 1.00 64.21 H new ATOM 0 HB2 PHE A 69 7.819 -1.468 3.133 1.00 51.02 H new ATOM 0 HB3 PHE A 69 7.321 -0.860 4.700 1.00 51.02 H new ATOM 0 HD1 PHE A 69 7.289 -0.162 1.060 1.00 73.12 H new ATOM 0 HD2 PHE A 69 5.750 1.015 4.869 1.00 34.04 H new ATOM 0 HE1 PHE A 69 5.620 1.244 -0.045 1.00 4.21 H new ATOM 0 HE2 PHE A 69 4.086 2.424 3.750 1.00 32.43 H new ATOM 0 HZ PHE A 69 4.016 2.533 1.294 1.00 21.31 H new ATOM 1083 N GLN A 70 8.797 0.893 6.168 1.00 34.30 N ATOM 1084 CA GLN A 70 8.704 1.821 7.299 1.00 55.34 C ATOM 1085 C GLN A 70 10.000 2.646 7.434 1.00 41.32 C ATOM 1086 O GLN A 70 9.925 3.839 7.679 1.00 42.03 O ATOM 1087 CB GLN A 70 8.401 1.034 8.602 1.00 54.14 C ATOM 1088 CG GLN A 70 7.064 0.261 8.574 1.00 12.13 C ATOM 1089 CD GLN A 70 6.872 -0.642 9.795 1.00 14.42 C ATOM 1090 OE1 GLN A 70 6.301 -0.232 10.805 1.00 62.34 O ATOM 1091 NE2 GLN A 70 7.365 -1.870 9.718 1.00 75.25 N ATOM 0 H GLN A 70 8.714 -0.087 6.440 1.00 34.30 H new ATOM 0 HA GLN A 70 7.886 2.519 7.120 1.00 55.34 H new ATOM 0 HB2 GLN A 70 9.212 0.329 8.785 1.00 54.14 H new ATOM 0 HB3 GLN A 70 8.388 1.731 9.440 1.00 54.14 H new ATOM 0 HG2 GLN A 70 6.240 0.972 8.521 1.00 12.13 H new ATOM 0 HG3 GLN A 70 7.020 -0.345 7.669 1.00 12.13 H new ATOM 0 HE21 GLN A 70 7.833 -2.179 8.866 1.00 75.25 H new ATOM 0 HE22 GLN A 70 7.276 -2.506 10.511 1.00 75.25 H new ATOM 1100 N ASN A 71 11.166 1.991 7.176 1.00 73.04 N ATOM 1101 CA ASN A 71 12.512 2.602 7.308 1.00 12.23 C ATOM 1102 C ASN A 71 12.728 3.673 6.237 1.00 2.53 C ATOM 1103 O ASN A 71 12.993 4.834 6.572 1.00 5.44 O ATOM 1104 CB ASN A 71 13.648 1.530 7.226 1.00 31.25 C ATOM 1105 CG ASN A 71 13.717 0.602 8.441 1.00 42.44 C ATOM 1106 OD1 ASN A 71 13.357 0.979 9.561 1.00 61.15 O ATOM 1107 ND2 ASN A 71 14.188 -0.619 8.229 1.00 41.33 N ATOM 0 H ASN A 71 11.194 1.019 6.869 1.00 73.04 H new ATOM 0 HA ASN A 71 12.558 3.067 8.293 1.00 12.23 H new ATOM 0 HB2 ASN A 71 13.501 0.928 6.330 1.00 31.25 H new ATOM 0 HB3 ASN A 71 14.606 2.038 7.115 1.00 31.25 H new ATOM 0 HD21 ASN A 71 14.262 -1.279 9.003 1.00 41.33 H new ATOM 0 HD22 ASN A 71 14.477 -0.899 7.292 1.00 41.33 H new ATOM 1114 N GLU A 72 12.581 3.272 4.949 1.00 3.23 N ATOM 1115 CA GLU A 72 12.751 4.185 3.795 1.00 22.25 C ATOM 1116 C GLU A 72 11.751 5.358 3.858 1.00 31.25 C ATOM 1117 O GLU A 72 12.033 6.437 3.347 1.00 11.12 O ATOM 1118 CB GLU A 72 12.587 3.434 2.444 1.00 13.01 C ATOM 1119 CG GLU A 72 13.636 2.343 2.149 1.00 64.50 C ATOM 1120 CD GLU A 72 15.086 2.856 2.083 1.00 1.51 C ATOM 1121 OE1 GLU A 72 15.416 3.608 1.152 1.00 72.25 O ATOM 1122 OE2 GLU A 72 15.910 2.475 2.941 1.00 61.35 O ATOM 0 H GLU A 72 12.344 2.316 4.685 1.00 3.23 H new ATOM 0 HA GLU A 72 13.765 4.581 3.853 1.00 22.25 H new ATOM 0 HB2 GLU A 72 11.598 2.976 2.423 1.00 13.01 H new ATOM 0 HB3 GLU A 72 12.616 4.166 1.637 1.00 13.01 H new ATOM 0 HG2 GLU A 72 13.570 1.575 2.920 1.00 64.50 H new ATOM 0 HG3 GLU A 72 13.389 1.865 1.201 1.00 64.50 H new ATOM 1129 N ALA A 73 10.588 5.125 4.485 1.00 75.14 N ATOM 1130 CA ALA A 73 9.569 6.163 4.676 1.00 23.21 C ATOM 1131 C ALA A 73 9.980 7.173 5.775 1.00 75.25 C ATOM 1132 O ALA A 73 10.012 8.379 5.520 1.00 34.42 O ATOM 1133 CB ALA A 73 8.217 5.512 4.989 1.00 52.25 C ATOM 0 H ALA A 73 10.330 4.217 4.871 1.00 75.14 H new ATOM 0 HA ALA A 73 9.477 6.730 3.750 1.00 23.21 H new ATOM 0 HB1 ALA A 73 7.464 6.287 5.130 1.00 52.25 H new ATOM 0 HB2 ALA A 73 7.923 4.867 4.161 1.00 52.25 H new ATOM 0 HB3 ALA A 73 8.301 4.918 5.899 1.00 52.25 H new ATOM 1139 N LYS A 74 10.340 6.671 6.980 1.00 21.42 N ATOM 1140 CA LYS A 74 10.587 7.535 8.167 1.00 1.05 C ATOM 1141 C LYS A 74 11.862 8.393 8.020 1.00 64.32 C ATOM 1142 O LYS A 74 11.901 9.522 8.517 1.00 33.01 O ATOM 1143 CB LYS A 74 10.581 6.706 9.504 1.00 41.05 C ATOM 1144 CG LYS A 74 11.544 5.488 9.599 1.00 34.31 C ATOM 1145 CD LYS A 74 13.016 5.811 9.951 1.00 2.51 C ATOM 1146 CE LYS A 74 13.211 6.343 11.380 1.00 64.41 C ATOM 1147 NZ LYS A 74 14.658 6.478 11.715 1.00 65.23 N ATOM 0 H LYS A 74 10.467 5.675 7.159 1.00 21.42 H new ATOM 0 HA LYS A 74 9.754 8.235 8.221 1.00 1.05 H new ATOM 0 HB2 LYS A 74 10.817 7.386 10.322 1.00 41.05 H new ATOM 0 HB3 LYS A 74 9.566 6.346 9.672 1.00 41.05 H new ATOM 0 HG2 LYS A 74 11.155 4.800 10.350 1.00 34.31 H new ATOM 0 HG3 LYS A 74 11.527 4.962 8.645 1.00 34.31 H new ATOM 0 HD2 LYS A 74 13.616 4.910 9.824 1.00 2.51 H new ATOM 0 HD3 LYS A 74 13.395 6.549 9.244 1.00 2.51 H new ATOM 0 HE2 LYS A 74 12.720 7.311 11.480 1.00 64.41 H new ATOM 0 HE3 LYS A 74 12.733 5.668 12.090 1.00 64.41 H new ATOM 0 HZ1 LYS A 74 14.757 6.839 12.685 1.00 65.23 H new ATOM 0 HZ2 LYS A 74 15.119 5.549 11.642 1.00 65.23 H new ATOM 0 HZ3 LYS A 74 15.108 7.141 11.051 1.00 65.23 H new ATOM 1161 N LYS A 75 12.886 7.861 7.326 1.00 5.00 N ATOM 1162 CA LYS A 75 14.170 8.571 7.129 1.00 54.00 C ATOM 1163 C LYS A 75 14.007 9.757 6.148 1.00 3.21 C ATOM 1164 O LYS A 75 14.669 10.791 6.292 1.00 65.31 O ATOM 1165 CB LYS A 75 15.265 7.590 6.626 1.00 15.03 C ATOM 1166 CG LYS A 75 14.999 7.000 5.227 1.00 33.30 C ATOM 1167 CD LYS A 75 16.127 6.093 4.699 1.00 0.04 C ATOM 1168 CE LYS A 75 16.334 4.815 5.525 1.00 4.21 C ATOM 1169 NZ LYS A 75 17.382 3.951 4.918 1.00 15.55 N ATOM 0 H LYS A 75 12.851 6.939 6.890 1.00 5.00 H new ATOM 0 HA LYS A 75 14.483 8.974 8.092 1.00 54.00 H new ATOM 0 HB2 LYS A 75 16.223 8.111 6.611 1.00 15.03 H new ATOM 0 HB3 LYS A 75 15.358 6.772 7.340 1.00 15.03 H new ATOM 0 HG2 LYS A 75 14.072 6.428 5.257 1.00 33.30 H new ATOM 0 HG3 LYS A 75 14.846 7.818 4.523 1.00 33.30 H new ATOM 0 HD2 LYS A 75 15.905 5.816 3.668 1.00 0.04 H new ATOM 0 HD3 LYS A 75 17.058 6.659 4.684 1.00 0.04 H new ATOM 0 HE2 LYS A 75 16.620 5.078 6.543 1.00 4.21 H new ATOM 0 HE3 LYS A 75 15.396 4.264 5.590 1.00 4.21 H new ATOM 0 HZ1 LYS A 75 17.792 3.336 5.650 1.00 15.55 H new ATOM 0 HZ2 LYS A 75 16.959 3.365 4.171 1.00 15.55 H new ATOM 0 HZ3 LYS A 75 18.129 4.547 4.509 1.00 15.55 H new ATOM 1183 N GLU A 76 13.101 9.588 5.165 1.00 12.23 N ATOM 1184 CA GLU A 76 12.895 10.551 4.067 1.00 25.44 C ATOM 1185 C GLU A 76 11.742 11.529 4.362 1.00 63.44 C ATOM 1186 O GLU A 76 11.657 12.592 3.738 1.00 14.13 O ATOM 1187 CB GLU A 76 12.618 9.779 2.757 1.00 62.23 C ATOM 1188 CG GLU A 76 13.752 8.825 2.311 1.00 74.20 C ATOM 1189 CD GLU A 76 15.113 9.522 2.098 1.00 40.33 C ATOM 1190 OE1 GLU A 76 15.352 10.042 0.987 1.00 72.03 O ATOM 1191 OE2 GLU A 76 15.939 9.553 3.035 1.00 71.42 O ATOM 0 H GLU A 76 12.488 8.774 5.111 1.00 12.23 H new ATOM 0 HA GLU A 76 13.802 11.147 3.965 1.00 25.44 H new ATOM 0 HB2 GLU A 76 11.703 9.200 2.880 1.00 62.23 H new ATOM 0 HB3 GLU A 76 12.434 10.499 1.960 1.00 62.23 H new ATOM 0 HG2 GLU A 76 13.870 8.042 3.060 1.00 74.20 H new ATOM 0 HG3 GLU A 76 13.457 8.336 1.383 1.00 74.20 H new ATOM 1198 N GLY A 77 10.857 11.163 5.305 1.00 32.04 N ATOM 1199 CA GLY A 77 9.716 12.006 5.686 1.00 71.43 C ATOM 1200 C GLY A 77 8.439 11.702 4.903 1.00 23.01 C ATOM 1201 O GLY A 77 7.588 12.581 4.711 1.00 23.54 O ATOM 0 H GLY A 77 10.913 10.283 5.819 1.00 32.04 H new ATOM 0 HA2 GLY A 77 9.519 11.876 6.750 1.00 71.43 H new ATOM 0 HA3 GLY A 77 9.983 13.052 5.537 1.00 71.43 H new ATOM 1205 N VAL A 78 8.318 10.456 4.421 1.00 32.42 N ATOM 1206 CA VAL A 78 7.083 9.938 3.811 1.00 42.14 C ATOM 1207 C VAL A 78 6.157 9.412 4.932 1.00 63.13 C ATOM 1208 O VAL A 78 6.490 8.422 5.596 1.00 41.54 O ATOM 1209 CB VAL A 78 7.405 8.796 2.769 1.00 22.03 C ATOM 1210 CG1 VAL A 78 6.117 8.226 2.127 1.00 1.41 C ATOM 1211 CG2 VAL A 78 8.401 9.297 1.688 1.00 33.33 C ATOM 0 H VAL A 78 9.078 9.776 4.443 1.00 32.42 H new ATOM 0 HA VAL A 78 6.582 10.741 3.270 1.00 42.14 H new ATOM 0 HB VAL A 78 7.881 7.980 3.312 1.00 22.03 H new ATOM 0 HG11 VAL A 78 6.381 7.443 1.416 1.00 1.41 H new ATOM 0 HG12 VAL A 78 5.476 7.810 2.904 1.00 1.41 H new ATOM 0 HG13 VAL A 78 5.586 9.024 1.608 1.00 1.41 H new ATOM 0 HG21 VAL A 78 8.607 8.492 0.982 1.00 33.33 H new ATOM 0 HG22 VAL A 78 7.966 10.143 1.157 1.00 33.33 H new ATOM 0 HG23 VAL A 78 9.330 9.607 2.165 1.00 33.33 H new ATOM 1221 N SER A 79 5.031 10.114 5.171 1.00 25.04 N ATOM 1222 CA SER A 79 4.075 9.771 6.238 1.00 13.44 C ATOM 1223 C SER A 79 3.246 8.530 5.849 1.00 63.03 C ATOM 1224 O SER A 79 2.213 8.623 5.197 1.00 44.01 O ATOM 1225 CB SER A 79 3.166 10.982 6.540 1.00 42.20 C ATOM 1226 OG SER A 79 3.944 12.104 6.925 1.00 61.15 O ATOM 0 H SER A 79 4.761 10.934 4.629 1.00 25.04 H new ATOM 0 HA SER A 79 4.629 9.524 7.144 1.00 13.44 H new ATOM 0 HB2 SER A 79 2.574 11.228 5.659 1.00 42.20 H new ATOM 0 HB3 SER A 79 2.465 10.728 7.335 1.00 42.20 H new ATOM 0 HG SER A 79 3.353 12.863 7.111 1.00 61.15 H new ATOM 1232 N TYR A 80 3.740 7.361 6.250 1.00 32.40 N ATOM 1233 CA TYR A 80 3.149 6.060 5.894 1.00 74.12 C ATOM 1234 C TYR A 80 1.997 5.702 6.864 1.00 41.02 C ATOM 1235 O TYR A 80 2.123 5.869 8.082 1.00 53.14 O ATOM 1236 CB TYR A 80 4.263 4.966 5.888 1.00 44.23 C ATOM 1237 CG TYR A 80 4.999 4.779 7.242 1.00 54.35 C ATOM 1238 CD1 TYR A 80 5.966 5.699 7.674 1.00 62.15 C ATOM 1239 CD2 TYR A 80 4.697 3.719 8.101 1.00 15.13 C ATOM 1240 CE1 TYR A 80 6.601 5.560 8.886 1.00 23.43 C ATOM 1241 CE2 TYR A 80 5.327 3.585 9.323 1.00 3.41 C ATOM 1242 CZ TYR A 80 6.274 4.510 9.711 1.00 75.20 C ATOM 1243 OH TYR A 80 6.890 4.389 10.934 1.00 1.10 O ATOM 0 H TYR A 80 4.570 7.282 6.837 1.00 32.40 H new ATOM 0 HA TYR A 80 2.720 6.116 4.893 1.00 74.12 H new ATOM 0 HB2 TYR A 80 3.817 4.015 5.599 1.00 44.23 H new ATOM 0 HB3 TYR A 80 4.997 5.219 5.123 1.00 44.23 H new ATOM 0 HD1 TYR A 80 6.218 6.536 7.040 1.00 62.15 H new ATOM 0 HD2 TYR A 80 3.957 2.991 7.804 1.00 15.13 H new ATOM 0 HE1 TYR A 80 7.354 6.273 9.189 1.00 23.43 H new ATOM 0 HE2 TYR A 80 5.079 2.759 9.973 1.00 3.41 H new ATOM 0 HH TYR A 80 6.547 3.595 11.396 1.00 1.10 H new ATOM 1253 N ASP A 81 0.874 5.235 6.298 1.00 52.21 N ATOM 1254 CA ASP A 81 -0.321 4.789 7.038 1.00 11.44 C ATOM 1255 C ASP A 81 -0.438 3.271 6.863 1.00 24.34 C ATOM 1256 O ASP A 81 -0.532 2.784 5.738 1.00 41.43 O ATOM 1257 CB ASP A 81 -1.592 5.490 6.490 1.00 3.14 C ATOM 1258 CG ASP A 81 -2.860 5.198 7.322 1.00 51.50 C ATOM 1259 OD1 ASP A 81 -3.561 4.198 7.048 1.00 41.04 O ATOM 1260 OD2 ASP A 81 -3.155 5.967 8.265 1.00 63.53 O ATOM 0 H ASP A 81 0.767 5.154 5.287 1.00 52.21 H new ATOM 0 HA ASP A 81 -0.228 5.046 8.093 1.00 11.44 H new ATOM 0 HB2 ASP A 81 -1.422 6.566 6.466 1.00 3.14 H new ATOM 0 HB3 ASP A 81 -1.760 5.170 5.462 1.00 3.14 H new ATOM 1265 N VAL A 82 -0.447 2.533 7.976 1.00 5.43 N ATOM 1266 CA VAL A 82 -0.341 1.057 7.970 1.00 44.22 C ATOM 1267 C VAL A 82 -1.694 0.419 8.354 1.00 1.44 C ATOM 1268 O VAL A 82 -2.186 0.602 9.472 1.00 42.20 O ATOM 1269 CB VAL A 82 0.803 0.572 8.939 1.00 14.15 C ATOM 1270 CG1 VAL A 82 1.001 -0.952 8.844 1.00 43.11 C ATOM 1271 CG2 VAL A 82 2.129 1.311 8.648 1.00 41.51 C ATOM 0 H VAL A 82 -0.528 2.934 8.910 1.00 5.43 H new ATOM 0 HA VAL A 82 -0.083 0.735 6.961 1.00 44.22 H new ATOM 0 HB VAL A 82 0.496 0.812 9.957 1.00 14.15 H new ATOM 0 HG11 VAL A 82 1.796 -1.259 9.523 1.00 43.11 H new ATOM 0 HG12 VAL A 82 0.075 -1.457 9.118 1.00 43.11 H new ATOM 0 HG13 VAL A 82 1.272 -1.221 7.823 1.00 43.11 H new ATOM 0 HG21 VAL A 82 2.901 0.957 9.331 1.00 41.51 H new ATOM 0 HG22 VAL A 82 2.436 1.116 7.621 1.00 41.51 H new ATOM 0 HG23 VAL A 82 1.986 2.383 8.786 1.00 41.51 H new ATOM 1281 N LEU A 83 -2.281 -0.324 7.405 1.00 30.21 N ATOM 1282 CA LEU A 83 -3.598 -0.970 7.546 1.00 72.03 C ATOM 1283 C LEU A 83 -3.440 -2.503 7.501 1.00 30.25 C ATOM 1284 O LEU A 83 -3.053 -3.058 6.474 1.00 42.12 O ATOM 1285 CB LEU A 83 -4.531 -0.488 6.401 1.00 14.02 C ATOM 1286 CG LEU A 83 -5.956 -1.139 6.331 1.00 3.43 C ATOM 1287 CD1 LEU A 83 -6.832 -0.747 7.544 1.00 51.23 C ATOM 1288 CD2 LEU A 83 -6.643 -0.792 4.997 1.00 45.33 C ATOM 0 H LEU A 83 -1.846 -0.497 6.499 1.00 30.21 H new ATOM 0 HA LEU A 83 -4.038 -0.697 8.505 1.00 72.03 H new ATOM 0 HB2 LEU A 83 -4.654 0.591 6.494 1.00 14.02 H new ATOM 0 HB3 LEU A 83 -4.027 -0.670 5.452 1.00 14.02 H new ATOM 0 HG LEU A 83 -5.830 -2.221 6.376 1.00 3.43 H new ATOM 0 HD11 LEU A 83 -7.810 -1.220 7.454 1.00 51.23 H new ATOM 0 HD12 LEU A 83 -6.351 -1.080 8.463 1.00 51.23 H new ATOM 0 HD13 LEU A 83 -6.954 0.336 7.570 1.00 51.23 H new ATOM 0 HD21 LEU A 83 -7.631 -1.252 4.966 1.00 45.33 H new ATOM 0 HD22 LEU A 83 -6.744 0.290 4.910 1.00 45.33 H new ATOM 0 HD23 LEU A 83 -6.041 -1.168 4.169 1.00 45.33 H new ATOM 1300 N LYS A 84 -3.705 -3.176 8.635 1.00 32.13 N ATOM 1301 CA LYS A 84 -3.770 -4.650 8.714 1.00 62.25 C ATOM 1302 C LYS A 84 -5.244 -5.070 8.716 1.00 4.13 C ATOM 1303 O LYS A 84 -5.984 -4.733 9.646 1.00 62.43 O ATOM 1304 CB LYS A 84 -3.040 -5.204 9.982 1.00 12.53 C ATOM 1305 CG LYS A 84 -1.496 -5.297 9.885 1.00 33.24 C ATOM 1306 CD LYS A 84 -0.808 -3.925 9.791 1.00 31.22 C ATOM 1307 CE LYS A 84 -1.026 -3.043 11.037 1.00 24.10 C ATOM 1308 NZ LYS A 84 -0.419 -3.626 12.263 1.00 53.23 N ATOM 0 H LYS A 84 -3.881 -2.713 9.527 1.00 32.13 H new ATOM 0 HA LYS A 84 -3.256 -5.071 7.850 1.00 62.25 H new ATOM 0 HB2 LYS A 84 -3.294 -4.569 10.831 1.00 12.53 H new ATOM 0 HB3 LYS A 84 -3.432 -6.198 10.199 1.00 12.53 H new ATOM 0 HG2 LYS A 84 -1.115 -5.827 10.758 1.00 33.24 H new ATOM 0 HG3 LYS A 84 -1.229 -5.890 9.010 1.00 33.24 H new ATOM 0 HD2 LYS A 84 0.262 -4.073 9.642 1.00 31.22 H new ATOM 0 HD3 LYS A 84 -1.182 -3.399 8.913 1.00 31.22 H new ATOM 0 HE2 LYS A 84 -0.599 -2.056 10.858 1.00 24.10 H new ATOM 0 HE3 LYS A 84 -2.095 -2.903 11.196 1.00 24.10 H new ATOM 0 HZ1 LYS A 84 -0.550 -2.971 13.060 1.00 53.23 H new ATOM 0 HZ2 LYS A 84 -0.879 -4.533 12.481 1.00 53.23 H new ATOM 0 HZ3 LYS A 84 0.597 -3.782 12.107 1.00 53.23 H new ATOM 1322 N SER A 85 -5.659 -5.776 7.659 1.00 24.51 N ATOM 1323 CA SER A 85 -7.035 -6.275 7.490 1.00 24.43 C ATOM 1324 C SER A 85 -7.054 -7.327 6.376 1.00 22.03 C ATOM 1325 O SER A 85 -6.134 -7.386 5.568 1.00 15.43 O ATOM 1326 CB SER A 85 -8.009 -5.113 7.154 1.00 72.53 C ATOM 1327 OG SER A 85 -9.322 -5.585 6.855 1.00 22.35 O ATOM 0 H SER A 85 -5.043 -6.022 6.884 1.00 24.51 H new ATOM 0 HA SER A 85 -7.367 -6.727 8.425 1.00 24.43 H new ATOM 0 HB2 SER A 85 -8.055 -4.423 7.997 1.00 72.53 H new ATOM 0 HB3 SER A 85 -7.623 -4.551 6.303 1.00 72.53 H new ATOM 0 HG SER A 85 -9.982 -5.041 7.333 1.00 22.35 H new ATOM 1333 N THR A 86 -8.101 -8.161 6.355 1.00 43.34 N ATOM 1334 CA THR A 86 -8.352 -9.133 5.270 1.00 43.02 C ATOM 1335 C THR A 86 -9.847 -9.114 4.907 1.00 73.52 C ATOM 1336 O THR A 86 -10.351 -10.042 4.270 1.00 64.42 O ATOM 1337 CB THR A 86 -7.897 -10.583 5.679 1.00 52.13 C ATOM 1338 OG1 THR A 86 -8.441 -10.927 6.961 1.00 11.54 O ATOM 1339 CG2 THR A 86 -6.361 -10.735 5.718 1.00 73.40 C ATOM 0 H THR A 86 -8.805 -8.185 7.092 1.00 43.34 H new ATOM 0 HA THR A 86 -7.763 -8.844 4.399 1.00 43.02 H new ATOM 0 HB THR A 86 -8.276 -11.260 4.914 1.00 52.13 H new ATOM 0 HG1 THR A 86 -8.154 -11.831 7.206 1.00 11.54 H new ATOM 0 HG21 THR A 86 -6.103 -11.754 6.006 1.00 73.40 H new ATOM 0 HG22 THR A 86 -5.949 -10.521 4.732 1.00 73.40 H new ATOM 0 HG23 THR A 86 -5.945 -10.037 6.444 1.00 73.40 H new ATOM 1347 N ASP A 87 -10.543 -8.030 5.300 1.00 3.42 N ATOM 1348 CA ASP A 87 -11.969 -7.836 5.001 1.00 23.30 C ATOM 1349 C ASP A 87 -12.095 -7.188 3.618 1.00 40.31 C ATOM 1350 O ASP A 87 -11.574 -6.084 3.438 1.00 34.31 O ATOM 1351 CB ASP A 87 -12.635 -6.909 6.044 1.00 34.35 C ATOM 1352 CG ASP A 87 -12.502 -7.409 7.478 1.00 44.14 C ATOM 1353 OD1 ASP A 87 -13.270 -8.316 7.872 1.00 4.23 O ATOM 1354 OD2 ASP A 87 -11.631 -6.903 8.220 1.00 64.25 O ATOM 0 H ASP A 87 -10.129 -7.266 5.834 1.00 3.42 H new ATOM 0 HA ASP A 87 -12.467 -8.805 5.028 1.00 23.30 H new ATOM 0 HB2 ASP A 87 -12.191 -5.916 5.972 1.00 34.35 H new ATOM 0 HB3 ASP A 87 -13.692 -6.804 5.801 1.00 34.35 H new ATOM 1359 N PRO A 88 -12.784 -7.826 2.618 1.00 74.23 N ATOM 1360 CA PRO A 88 -12.999 -7.198 1.291 1.00 55.43 C ATOM 1361 C PRO A 88 -13.800 -5.885 1.416 1.00 23.42 C ATOM 1362 O PRO A 88 -13.472 -4.891 0.760 1.00 43.31 O ATOM 1363 CB PRO A 88 -13.750 -8.285 0.475 1.00 73.42 C ATOM 1364 CG PRO A 88 -14.323 -9.222 1.502 1.00 23.44 C ATOM 1365 CD PRO A 88 -13.376 -9.186 2.686 1.00 33.22 C ATOM 0 HA PRO A 88 -12.070 -6.903 0.804 1.00 55.43 H new ATOM 0 HB2 PRO A 88 -14.536 -7.844 -0.138 1.00 73.42 H new ATOM 0 HB3 PRO A 88 -13.073 -8.808 -0.201 1.00 73.42 H new ATOM 0 HG2 PRO A 88 -15.325 -8.911 1.796 1.00 23.44 H new ATOM 0 HG3 PRO A 88 -14.408 -10.233 1.102 1.00 23.44 H new ATOM 0 HD2 PRO A 88 -13.903 -9.347 3.626 1.00 33.22 H new ATOM 0 HD3 PRO A 88 -12.612 -9.960 2.612 1.00 33.22 H new ATOM 1373 N GLU A 89 -14.796 -5.893 2.326 1.00 45.04 N ATOM 1374 CA GLU A 89 -15.639 -4.722 2.607 1.00 63.44 C ATOM 1375 C GLU A 89 -14.791 -3.527 3.125 1.00 54.53 C ATOM 1376 O GLU A 89 -14.862 -2.427 2.559 1.00 55.22 O ATOM 1377 CB GLU A 89 -16.769 -5.103 3.612 1.00 2.30 C ATOM 1378 CG GLU A 89 -16.283 -5.623 4.986 1.00 54.21 C ATOM 1379 CD GLU A 89 -17.422 -5.956 5.963 1.00 53.25 C ATOM 1380 OE1 GLU A 89 -18.167 -5.032 6.354 1.00 11.22 O ATOM 1381 OE2 GLU A 89 -17.576 -7.139 6.344 1.00 11.52 O ATOM 0 H GLU A 89 -15.035 -6.713 2.884 1.00 45.04 H new ATOM 0 HA GLU A 89 -16.106 -4.400 1.676 1.00 63.44 H new ATOM 0 HB2 GLU A 89 -17.398 -4.228 3.775 1.00 2.30 H new ATOM 0 HB3 GLU A 89 -17.398 -5.867 3.154 1.00 2.30 H new ATOM 0 HG2 GLU A 89 -15.677 -6.516 4.832 1.00 54.21 H new ATOM 0 HG3 GLU A 89 -15.636 -4.872 5.440 1.00 54.21 H new ATOM 1388 N GLU A 90 -13.935 -3.791 4.148 1.00 72.11 N ATOM 1389 CA GLU A 90 -13.148 -2.749 4.822 1.00 20.51 C ATOM 1390 C GLU A 90 -12.062 -2.227 3.884 1.00 1.12 C ATOM 1391 O GLU A 90 -12.042 -1.041 3.603 1.00 43.12 O ATOM 1392 CB GLU A 90 -12.544 -3.250 6.160 1.00 35.12 C ATOM 1393 CG GLU A 90 -11.615 -2.224 6.858 1.00 21.43 C ATOM 1394 CD GLU A 90 -11.332 -2.541 8.331 1.00 62.04 C ATOM 1395 OE1 GLU A 90 -10.572 -3.489 8.609 1.00 14.15 O ATOM 1396 OE2 GLU A 90 -11.866 -1.833 9.217 1.00 72.34 O ATOM 0 H GLU A 90 -13.779 -4.728 4.519 1.00 72.11 H new ATOM 0 HA GLU A 90 -13.820 -1.928 5.072 1.00 20.51 H new ATOM 0 HB2 GLU A 90 -13.357 -3.509 6.839 1.00 35.12 H new ATOM 0 HB3 GLU A 90 -11.982 -4.165 5.973 1.00 35.12 H new ATOM 0 HG2 GLU A 90 -10.669 -2.180 6.318 1.00 21.43 H new ATOM 0 HG3 GLU A 90 -12.067 -1.235 6.790 1.00 21.43 H new ATOM 1403 N LEU A 91 -11.216 -3.137 3.361 1.00 35.12 N ATOM 1404 CA LEU A 91 -10.088 -2.782 2.470 1.00 62.45 C ATOM 1405 C LEU A 91 -10.549 -1.904 1.280 1.00 10.22 C ATOM 1406 O LEU A 91 -9.892 -0.911 0.962 1.00 71.15 O ATOM 1407 CB LEU A 91 -9.376 -4.066 1.957 1.00 74.04 C ATOM 1408 CG LEU A 91 -8.612 -4.927 3.012 1.00 33.41 C ATOM 1409 CD1 LEU A 91 -8.045 -6.206 2.360 1.00 53.20 C ATOM 1410 CD2 LEU A 91 -7.495 -4.118 3.696 1.00 60.31 C ATOM 0 H LEU A 91 -11.293 -4.138 3.543 1.00 35.12 H new ATOM 0 HA LEU A 91 -9.380 -2.195 3.054 1.00 62.45 H new ATOM 0 HB2 LEU A 91 -10.124 -4.700 1.481 1.00 74.04 H new ATOM 0 HB3 LEU A 91 -8.667 -3.773 1.183 1.00 74.04 H new ATOM 0 HG LEU A 91 -9.324 -5.220 3.783 1.00 33.41 H new ATOM 0 HD11 LEU A 91 -7.516 -6.793 3.111 1.00 53.20 H new ATOM 0 HD12 LEU A 91 -8.862 -6.797 1.947 1.00 53.20 H new ATOM 0 HD13 LEU A 91 -7.356 -5.932 1.561 1.00 53.20 H new ATOM 0 HD21 LEU A 91 -6.984 -4.747 4.424 1.00 60.31 H new ATOM 0 HD22 LEU A 91 -6.781 -3.777 2.946 1.00 60.31 H new ATOM 0 HD23 LEU A 91 -7.928 -3.256 4.203 1.00 60.31 H new ATOM 1422 N THR A 92 -11.707 -2.261 0.666 1.00 24.13 N ATOM 1423 CA THR A 92 -12.290 -1.491 -0.455 1.00 73.11 C ATOM 1424 C THR A 92 -12.714 -0.072 -0.016 1.00 15.11 C ATOM 1425 O THR A 92 -12.388 0.914 -0.703 1.00 54.45 O ATOM 1426 CB THR A 92 -13.497 -2.248 -1.111 1.00 40.42 C ATOM 1427 OG1 THR A 92 -13.044 -3.512 -1.626 1.00 75.15 O ATOM 1428 CG2 THR A 92 -14.151 -1.455 -2.261 1.00 73.35 C ATOM 0 H THR A 92 -12.254 -3.080 0.932 1.00 24.13 H new ATOM 0 HA THR A 92 -11.507 -1.389 -1.206 1.00 73.11 H new ATOM 0 HB THR A 92 -14.248 -2.382 -0.332 1.00 40.42 H new ATOM 0 HG1 THR A 92 -13.105 -4.192 -0.923 1.00 75.15 H new ATOM 0 HG21 THR A 92 -14.979 -2.030 -2.675 1.00 73.35 H new ATOM 0 HG22 THR A 92 -14.524 -0.504 -1.881 1.00 73.35 H new ATOM 0 HG23 THR A 92 -13.413 -1.270 -3.041 1.00 73.35 H new ATOM 1436 N GLN A 93 -13.419 0.041 1.140 1.00 44.24 N ATOM 1437 CA GLN A 93 -13.880 1.350 1.629 1.00 60.12 C ATOM 1438 C GLN A 93 -12.710 2.211 2.160 1.00 43.32 C ATOM 1439 O GLN A 93 -12.791 3.429 2.107 1.00 64.04 O ATOM 1440 CB GLN A 93 -15.073 1.231 2.640 1.00 41.32 C ATOM 1441 CG GLN A 93 -14.840 0.486 3.983 1.00 52.33 C ATOM 1442 CD GLN A 93 -14.018 1.231 5.051 1.00 12.23 C ATOM 1443 OE1 GLN A 93 -13.346 0.608 5.877 1.00 33.23 O ATOM 1444 NE2 GLN A 93 -14.086 2.553 5.077 1.00 31.40 N ATOM 0 H GLN A 93 -13.673 -0.748 1.735 1.00 44.24 H new ATOM 0 HA GLN A 93 -14.285 1.885 0.770 1.00 60.12 H new ATOM 0 HB2 GLN A 93 -15.409 2.241 2.876 1.00 41.32 H new ATOM 0 HB3 GLN A 93 -15.895 0.734 2.125 1.00 41.32 H new ATOM 0 HG2 GLN A 93 -15.813 0.242 4.410 1.00 52.33 H new ATOM 0 HG3 GLN A 93 -14.341 -0.459 3.767 1.00 52.33 H new ATOM 0 HE21 GLN A 93 -14.648 3.048 4.385 1.00 31.40 H new ATOM 0 HE22 GLN A 93 -13.577 3.076 5.789 1.00 31.40 H new ATOM 1453 N ARG A 94 -11.614 1.562 2.617 1.00 74.54 N ATOM 1454 CA ARG A 94 -10.408 2.259 3.135 1.00 14.45 C ATOM 1455 C ARG A 94 -9.645 2.983 2.012 1.00 72.04 C ATOM 1456 O ARG A 94 -9.065 4.042 2.253 1.00 34.11 O ATOM 1457 CB ARG A 94 -9.453 1.271 3.856 1.00 42.32 C ATOM 1458 CG ARG A 94 -9.995 0.688 5.181 1.00 70.15 C ATOM 1459 CD ARG A 94 -10.224 1.748 6.272 1.00 61.32 C ATOM 1460 NE ARG A 94 -10.706 1.141 7.527 1.00 60.22 N ATOM 1461 CZ ARG A 94 -10.459 1.608 8.757 1.00 51.52 C ATOM 1462 NH1 ARG A 94 -9.731 2.716 8.942 1.00 12.40 N ATOM 1463 NH2 ARG A 94 -10.932 0.954 9.805 1.00 73.43 N ATOM 0 H ARG A 94 -11.538 0.545 2.638 1.00 74.54 H new ATOM 0 HA ARG A 94 -10.758 3.001 3.852 1.00 14.45 H new ATOM 0 HB2 ARG A 94 -9.228 0.447 3.179 1.00 42.32 H new ATOM 0 HB3 ARG A 94 -8.512 1.782 4.059 1.00 42.32 H new ATOM 0 HG2 ARG A 94 -10.935 0.173 4.984 1.00 70.15 H new ATOM 0 HG3 ARG A 94 -9.294 -0.059 5.553 1.00 70.15 H new ATOM 0 HD2 ARG A 94 -9.294 2.284 6.460 1.00 61.32 H new ATOM 0 HD3 ARG A 94 -10.949 2.482 5.920 1.00 61.32 H new ATOM 0 HE ARG A 94 -11.274 0.297 7.451 1.00 60.22 H new ATOM 0 HH11 ARG A 94 -9.354 3.219 8.138 1.00 12.40 H new ATOM 0 HH12 ARG A 94 -9.553 3.057 9.887 1.00 12.40 H new ATOM 0 HH21 ARG A 94 -11.479 0.103 9.671 1.00 73.43 H new ATOM 0 HH22 ARG A 94 -10.750 1.300 10.747 1.00 73.43 H new ATOM 1477 N VAL A 95 -9.641 2.380 0.800 1.00 33.41 N ATOM 1478 CA VAL A 95 -9.032 2.990 -0.404 1.00 30.40 C ATOM 1479 C VAL A 95 -9.706 4.352 -0.709 1.00 15.04 C ATOM 1480 O VAL A 95 -9.020 5.319 -1.025 1.00 34.34 O ATOM 1481 CB VAL A 95 -9.123 2.021 -1.652 1.00 11.24 C ATOM 1482 CG1 VAL A 95 -8.589 2.683 -2.949 1.00 2.42 C ATOM 1483 CG2 VAL A 95 -8.361 0.699 -1.375 1.00 34.51 C ATOM 0 H VAL A 95 -10.057 1.464 0.630 1.00 33.41 H new ATOM 0 HA VAL A 95 -7.974 3.160 -0.202 1.00 30.40 H new ATOM 0 HB VAL A 95 -10.179 1.800 -1.807 1.00 11.24 H new ATOM 0 HG11 VAL A 95 -8.672 1.979 -3.777 1.00 2.42 H new ATOM 0 HG12 VAL A 95 -9.175 3.575 -3.170 1.00 2.42 H new ATOM 0 HG13 VAL A 95 -7.544 2.960 -2.812 1.00 2.42 H new ATOM 0 HG21 VAL A 95 -8.436 0.047 -2.245 1.00 34.51 H new ATOM 0 HG22 VAL A 95 -7.312 0.919 -1.175 1.00 34.51 H new ATOM 0 HG23 VAL A 95 -8.799 0.201 -0.510 1.00 34.51 H new ATOM 1493 N ARG A 96 -11.047 4.412 -0.523 1.00 60.12 N ATOM 1494 CA ARG A 96 -11.852 5.636 -0.776 1.00 23.24 C ATOM 1495 C ARG A 96 -11.414 6.762 0.179 1.00 24.22 C ATOM 1496 O ARG A 96 -11.022 7.853 -0.247 1.00 72.23 O ATOM 1497 CB ARG A 96 -13.378 5.389 -0.545 1.00 33.41 C ATOM 1498 CG ARG A 96 -13.942 4.036 -1.008 1.00 33.31 C ATOM 1499 CD ARG A 96 -15.437 3.892 -0.657 1.00 35.12 C ATOM 1500 NE ARG A 96 -15.710 4.189 0.765 1.00 14.40 N ATOM 1501 CZ ARG A 96 -16.916 4.129 1.360 1.00 4.54 C ATOM 1502 NH1 ARG A 96 -18.005 3.765 0.694 1.00 20.41 N ATOM 1503 NH2 ARG A 96 -17.026 4.475 2.630 1.00 32.34 N ATOM 0 H ARG A 96 -11.600 3.620 -0.196 1.00 60.12 H new ATOM 0 HA ARG A 96 -11.685 5.914 -1.817 1.00 23.24 H new ATOM 0 HB2 ARG A 96 -13.581 5.494 0.521 1.00 33.41 H new ATOM 0 HB3 ARG A 96 -13.930 6.179 -1.054 1.00 33.41 H new ATOM 0 HG2 ARG A 96 -13.810 3.936 -2.085 1.00 33.31 H new ATOM 0 HG3 ARG A 96 -13.379 3.228 -0.541 1.00 33.31 H new ATOM 0 HD2 ARG A 96 -16.022 4.564 -1.285 1.00 35.12 H new ATOM 0 HD3 ARG A 96 -15.765 2.878 -0.884 1.00 35.12 H new ATOM 0 HE ARG A 96 -14.917 4.463 1.345 1.00 14.40 H new ATOM 0 HH11 ARG A 96 -17.941 3.522 -0.295 1.00 20.41 H new ATOM 0 HH12 ARG A 96 -18.906 3.728 1.171 1.00 20.41 H new ATOM 0 HH21 ARG A 96 -16.203 4.783 3.148 1.00 32.34 H new ATOM 0 HH22 ARG A 96 -17.934 4.434 3.093 1.00 32.34 H new ATOM 1517 N GLU A 97 -11.478 6.425 1.485 1.00 13.15 N ATOM 1518 CA GLU A 97 -11.249 7.362 2.591 1.00 42.40 C ATOM 1519 C GLU A 97 -9.810 7.900 2.553 1.00 73.22 C ATOM 1520 O GLU A 97 -9.566 9.079 2.845 1.00 41.40 O ATOM 1521 CB GLU A 97 -11.535 6.654 3.948 1.00 31.30 C ATOM 1522 CG GLU A 97 -12.871 5.874 4.000 1.00 1.34 C ATOM 1523 CD GLU A 97 -14.100 6.690 3.561 1.00 62.04 C ATOM 1524 OE1 GLU A 97 -14.491 7.627 4.285 1.00 74.44 O ATOM 1525 OE2 GLU A 97 -14.681 6.392 2.499 1.00 11.31 O ATOM 0 H GLU A 97 -11.694 5.479 1.799 1.00 13.15 H new ATOM 0 HA GLU A 97 -11.928 8.208 2.485 1.00 42.40 H new ATOM 0 HB2 GLU A 97 -10.718 5.964 4.162 1.00 31.30 H new ATOM 0 HB3 GLU A 97 -11.536 7.403 4.740 1.00 31.30 H new ATOM 0 HG2 GLU A 97 -12.789 4.993 3.364 1.00 1.34 H new ATOM 0 HG3 GLU A 97 -13.031 5.518 5.018 1.00 1.34 H new ATOM 1532 N PHE A 98 -8.881 7.011 2.139 1.00 65.35 N ATOM 1533 CA PHE A 98 -7.470 7.344 1.989 1.00 61.14 C ATOM 1534 C PHE A 98 -7.295 8.420 0.912 1.00 11.41 C ATOM 1535 O PHE A 98 -6.809 9.495 1.208 1.00 1.11 O ATOM 1536 CB PHE A 98 -6.626 6.091 1.630 1.00 35.45 C ATOM 1537 CG PHE A 98 -5.150 6.414 1.429 1.00 52.11 C ATOM 1538 CD1 PHE A 98 -4.319 6.610 2.528 1.00 1.53 C ATOM 1539 CD2 PHE A 98 -4.606 6.565 0.150 1.00 11.03 C ATOM 1540 CE1 PHE A 98 -2.997 6.939 2.355 1.00 34.41 C ATOM 1541 CE2 PHE A 98 -3.282 6.892 -0.016 1.00 45.01 C ATOM 1542 CZ PHE A 98 -2.480 7.083 1.085 1.00 3.23 C ATOM 0 H PHE A 98 -9.101 6.044 1.902 1.00 65.35 H new ATOM 0 HA PHE A 98 -7.113 7.727 2.945 1.00 61.14 H new ATOM 0 HB2 PHE A 98 -6.727 5.350 2.423 1.00 35.45 H new ATOM 0 HB3 PHE A 98 -7.022 5.640 0.720 1.00 35.45 H new ATOM 0 HD1 PHE A 98 -4.717 6.502 3.526 1.00 1.53 H new ATOM 0 HD2 PHE A 98 -5.234 6.423 -0.717 1.00 11.03 H new ATOM 0 HE1 PHE A 98 -2.361 7.085 3.216 1.00 34.41 H new ATOM 0 HE2 PHE A 98 -2.872 6.999 -1.009 1.00 45.01 H new ATOM 0 HZ PHE A 98 -1.441 7.347 0.954 1.00 3.23 H new ATOM 1552 N LEU A 99 -7.738 8.105 -0.324 1.00 64.33 N ATOM 1553 CA LEU A 99 -7.571 8.981 -1.508 1.00 44.02 C ATOM 1554 C LEU A 99 -8.311 10.327 -1.333 1.00 62.41 C ATOM 1555 O LEU A 99 -7.976 11.319 -1.988 1.00 71.23 O ATOM 1556 CB LEU A 99 -8.069 8.231 -2.772 1.00 54.10 C ATOM 1557 CG LEU A 99 -7.304 6.910 -3.120 1.00 35.44 C ATOM 1558 CD1 LEU A 99 -8.029 6.122 -4.230 1.00 30.02 C ATOM 1559 CD2 LEU A 99 -5.836 7.192 -3.503 1.00 54.51 C ATOM 0 H LEU A 99 -8.224 7.233 -0.531 1.00 64.33 H new ATOM 0 HA LEU A 99 -6.513 9.217 -1.621 1.00 44.02 H new ATOM 0 HB2 LEU A 99 -9.125 7.994 -2.640 1.00 54.10 H new ATOM 0 HB3 LEU A 99 -7.998 8.906 -3.625 1.00 54.10 H new ATOM 0 HG LEU A 99 -7.295 6.290 -2.223 1.00 35.44 H new ATOM 0 HD11 LEU A 99 -7.474 5.210 -4.450 1.00 30.02 H new ATOM 0 HD12 LEU A 99 -9.034 5.864 -3.896 1.00 30.02 H new ATOM 0 HD13 LEU A 99 -8.092 6.735 -5.129 1.00 30.02 H new ATOM 0 HD21 LEU A 99 -5.335 6.253 -3.738 1.00 54.51 H new ATOM 0 HD22 LEU A 99 -5.807 7.847 -4.373 1.00 54.51 H new ATOM 0 HD23 LEU A 99 -5.328 7.675 -2.668 1.00 54.51 H new ATOM 1571 N LYS A 100 -9.316 10.329 -0.437 1.00 24.14 N ATOM 1572 CA LYS A 100 -10.103 11.520 -0.085 1.00 12.41 C ATOM 1573 C LYS A 100 -9.257 12.492 0.779 1.00 11.02 C ATOM 1574 O LYS A 100 -9.175 13.686 0.484 1.00 61.10 O ATOM 1575 CB LYS A 100 -11.383 11.075 0.674 1.00 25.41 C ATOM 1576 CG LYS A 100 -12.501 12.141 0.785 1.00 43.21 C ATOM 1577 CD LYS A 100 -13.641 11.701 1.736 1.00 62.12 C ATOM 1578 CE LYS A 100 -14.258 10.329 1.374 1.00 24.13 C ATOM 1579 NZ LYS A 100 -14.983 10.344 0.076 1.00 52.34 N ATOM 0 H LYS A 100 -9.606 9.491 0.068 1.00 24.14 H new ATOM 0 HA LYS A 100 -10.392 12.049 -0.993 1.00 12.41 H new ATOM 0 HB2 LYS A 100 -11.792 10.196 0.175 1.00 25.41 H new ATOM 0 HB3 LYS A 100 -11.098 10.767 1.680 1.00 25.41 H new ATOM 0 HG2 LYS A 100 -12.073 13.077 1.144 1.00 43.21 H new ATOM 0 HG3 LYS A 100 -12.912 12.337 -0.205 1.00 43.21 H new ATOM 0 HD2 LYS A 100 -13.256 11.659 2.755 1.00 62.12 H new ATOM 0 HD3 LYS A 100 -14.426 12.457 1.723 1.00 62.12 H new ATOM 0 HE2 LYS A 100 -13.467 9.580 1.334 1.00 24.13 H new ATOM 0 HE3 LYS A 100 -14.945 10.025 2.164 1.00 24.13 H new ATOM 0 HZ1 LYS A 100 -15.374 9.399 -0.114 1.00 52.34 H new ATOM 0 HZ2 LYS A 100 -15.757 11.037 0.119 1.00 52.34 H new ATOM 0 HZ3 LYS A 100 -14.325 10.606 -0.686 1.00 52.34 H new ATOM 1593 N THR A 101 -8.617 11.957 1.845 1.00 72.22 N ATOM 1594 CA THR A 101 -7.761 12.762 2.764 1.00 21.32 C ATOM 1595 C THR A 101 -6.338 12.958 2.192 1.00 4.32 C ATOM 1596 O THR A 101 -5.597 13.838 2.634 1.00 51.11 O ATOM 1597 CB THR A 101 -7.684 12.125 4.199 1.00 12.10 C ATOM 1598 OG1 THR A 101 -6.999 13.005 5.112 1.00 4.12 O ATOM 1599 CG2 THR A 101 -6.986 10.751 4.204 1.00 25.40 C ATOM 0 H THR A 101 -8.674 10.970 2.095 1.00 72.22 H new ATOM 0 HA THR A 101 -8.234 13.740 2.851 1.00 21.32 H new ATOM 0 HB THR A 101 -8.715 11.979 4.523 1.00 12.10 H new ATOM 0 HG1 THR A 101 -6.425 13.618 4.607 1.00 4.12 H new ATOM 0 HG21 THR A 101 -6.962 10.359 5.221 1.00 25.40 H new ATOM 0 HG22 THR A 101 -7.535 10.062 3.562 1.00 25.40 H new ATOM 0 HG23 THR A 101 -5.967 10.859 3.832 1.00 25.40 H new ATOM 1607 N ALA A 102 -5.965 12.112 1.225 1.00 55.23 N ATOM 1608 CA ALA A 102 -4.657 12.168 0.560 1.00 33.24 C ATOM 1609 C ALA A 102 -4.678 13.216 -0.561 1.00 42.12 C ATOM 1610 O ALA A 102 -3.674 13.902 -0.797 1.00 14.21 O ATOM 1611 CB ALA A 102 -4.283 10.787 0.012 1.00 14.31 C ATOM 0 H ALA A 102 -6.566 11.364 0.879 1.00 55.23 H new ATOM 0 HA ALA A 102 -3.901 12.462 1.288 1.00 33.24 H new ATOM 0 HB1 ALA A 102 -3.311 10.841 -0.479 1.00 14.31 H new ATOM 0 HB2 ALA A 102 -4.236 10.071 0.832 1.00 14.31 H new ATOM 0 HB3 ALA A 102 -5.036 10.465 -0.708 1.00 14.31 H new