USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 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 54 GLN : amide:sc= -1.35 K(o=-1.1,f=-2.6) USER MOD Set 1.2: A 102 TYR OH : rot -29:sc= 0.288 USER MOD Set 2.1: A 42 LYS NZ :NH3+ -163:sc= 0.806 (180deg=0) USER MOD Set 2.2: A 46 TYR OH : rot 50:sc= -4.56! USER MOD Set 2.3: A 128 GLN : amide:sc= 0.717 K(o=-3,f=-7.9) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 90:sc= -2.94! USER MOD Single : A 14 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.2) USER MOD Single : A 19 SER OG : rot -162:sc= -1.5 USER MOD Single : A 20 MET CE :methyl -167:sc= -0.893 (180deg=-1.34) USER MOD Single : A 22 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.069) USER MOD Single : A 25 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.2) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.28! C(o=-5.3!,f=-3.7!) USER MOD Single : A 44 ASN : amide:sc= -2.34 K(o=-2.3,f=-3!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.384 K(o=0.38,f=-4.8!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 73 GLN : amide:sc=-0.00085 X(o=-0.00085,f=-0.00085) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 82 GLN : amide:sc= -4.27! C(o=-4.3!,f=-12!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.356 USER MOD Single : A 89 ASN : amide:sc= -2.71! C(o=-2.7!,f=-3!) USER MOD Single : A 93 SER OG : rot 140:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.55! C(o=-1.6!,f=-2.3!) USER MOD Single : A 97 THR OG1 : rot -95:sc= 0.906 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 155:sc= -0.146 (180deg=-0.567) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -71:sc= -1.09 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -1.95 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -10.633 12.917 -5.761 1.00 0.00 N ATOM 67 CA VAL A 8 -9.282 12.414 -5.539 1.00 0.00 C ATOM 68 C VAL A 8 -8.931 11.323 -6.545 1.00 0.00 C ATOM 69 O VAL A 8 -9.573 10.273 -6.589 1.00 0.00 O ATOM 70 CB VAL A 8 -9.118 11.855 -4.114 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.177 10.801 -3.828 1.00 0.00 C ATOM 72 CG2 VAL A 8 -7.721 11.285 -3.923 1.00 0.00 C ATOM 0 HA VAL A 8 -8.604 13.258 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.252 12.672 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.045 10.418 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.168 11.246 -3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.078 9.983 -4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.623 10.894 -2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.555 10.481 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.983 12.071 -4.082 1.00 0.00 H new ATOM 82 N LYS A 9 -7.906 11.578 -7.351 1.00 0.00 N ATOM 83 CA LYS A 9 -7.466 10.618 -8.356 1.00 0.00 C ATOM 84 C LYS A 9 -6.946 9.343 -7.700 1.00 0.00 C ATOM 85 O LYS A 9 -6.181 9.397 -6.736 1.00 0.00 O ATOM 86 CB LYS A 9 -6.375 11.233 -9.236 1.00 0.00 C ATOM 87 CG LYS A 9 -6.887 12.313 -10.174 1.00 0.00 C ATOM 88 CD LYS A 9 -5.745 13.077 -10.820 1.00 0.00 C ATOM 89 CE LYS A 9 -5.306 14.254 -9.963 1.00 0.00 C ATOM 90 NZ LYS A 9 -6.146 15.460 -10.205 1.00 0.00 N ATOM 0 H LYS A 9 -7.364 12.442 -7.328 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.324 10.362 -8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.600 11.656 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.907 10.444 -9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.507 11.860 -10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.522 13.005 -9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.901 12.406 -10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.055 13.436 -11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.362 13.978 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.263 14.489 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.815 16.240 -9.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.073 15.739 -11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.138 15.244 -9.978 1.00 0.00 H new ATOM 104 N PHE A 10 -7.363 8.197 -8.229 1.00 0.00 N ATOM 105 CA PHE A 10 -6.938 6.909 -7.694 1.00 0.00 C ATOM 106 C PHE A 10 -5.518 6.576 -8.141 1.00 0.00 C ATOM 107 O PHE A 10 -4.568 6.689 -7.366 1.00 0.00 O ATOM 108 CB PHE A 10 -7.898 5.805 -8.143 1.00 0.00 C ATOM 109 CG PHE A 10 -9.306 6.000 -7.657 1.00 0.00 C ATOM 110 CD1 PHE A 10 -10.196 6.787 -8.369 1.00 0.00 C ATOM 111 CD2 PHE A 10 -9.738 5.398 -6.486 1.00 0.00 C ATOM 112 CE1 PHE A 10 -11.492 6.969 -7.924 1.00 0.00 C ATOM 113 CE2 PHE A 10 -11.033 5.575 -6.037 1.00 0.00 C ATOM 114 CZ PHE A 10 -11.911 6.363 -6.756 1.00 0.00 C ATOM 0 H PHE A 10 -7.995 8.134 -9.027 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.952 6.973 -6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.901 5.758 -9.232 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.528 4.845 -7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.874 7.264 -9.283 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.055 4.784 -5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.176 7.585 -8.489 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.358 5.098 -5.125 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.923 6.505 -6.405 1.00 0.00 H new ATOM 124 N LEU A 11 -5.381 6.164 -9.397 1.00 0.00 N ATOM 125 CA LEU A 11 -4.077 5.814 -9.949 1.00 0.00 C ATOM 126 C LEU A 11 -3.217 7.058 -10.146 1.00 0.00 C ATOM 127 O LEU A 11 -2.915 7.446 -11.275 1.00 0.00 O ATOM 128 CB LEU A 11 -4.245 5.081 -11.281 1.00 0.00 C ATOM 129 CG LEU A 11 -4.970 3.735 -11.220 1.00 0.00 C ATOM 130 CD1 LEU A 11 -5.298 3.241 -12.620 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.128 2.710 -10.474 1.00 0.00 C ATOM 0 H LEU A 11 -6.157 6.064 -10.052 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.575 5.156 -9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.788 5.733 -11.966 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.257 4.919 -11.711 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.905 3.872 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.813 2.283 -12.556 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.940 3.966 -13.120 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.376 3.120 -13.188 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.659 1.759 -10.440 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.177 2.577 -10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.945 3.060 -9.458 1.00 0.00 H new ATOM 143 N THR A 12 -2.823 7.680 -9.039 1.00 0.00 N ATOM 144 CA THR A 12 -1.996 8.879 -9.089 1.00 0.00 C ATOM 145 C THR A 12 -1.181 9.040 -7.811 1.00 0.00 C ATOM 146 O THR A 12 -1.726 9.007 -6.707 1.00 0.00 O ATOM 147 CB THR A 12 -2.852 10.143 -9.301 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.088 10.022 -8.589 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.132 10.365 -10.780 1.00 0.00 C ATOM 0 H THR A 12 -3.064 7.373 -8.097 1.00 0.00 H new ATOM 0 HA THR A 12 -1.319 8.760 -9.935 1.00 0.00 H new ATOM 0 HB THR A 12 -2.296 11.000 -8.920 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.980 10.381 -7.684 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.738 11.263 -10.905 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.190 10.486 -11.315 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.669 9.506 -11.182 1.00 0.00 H new ATOM 157 N VAL A 13 0.127 9.214 -7.967 1.00 0.00 N ATOM 158 CA VAL A 13 1.017 9.381 -6.824 1.00 0.00 C ATOM 159 C VAL A 13 0.815 10.741 -6.164 1.00 0.00 C ATOM 160 O VAL A 13 1.508 11.706 -6.483 1.00 0.00 O ATOM 161 CB VAL A 13 2.494 9.239 -7.238 1.00 0.00 C ATOM 162 CG1 VAL A 13 3.410 9.573 -6.071 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.769 7.835 -7.756 1.00 0.00 C ATOM 0 H VAL A 13 0.594 9.243 -8.873 1.00 0.00 H new ATOM 0 HA VAL A 13 0.769 8.594 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 13 2.697 9.946 -8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.449 9.467 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.230 10.599 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.208 8.893 -5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.817 7.752 -8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.549 7.109 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.138 7.637 -8.622 1.00 0.00 H new ATOM 173 N ASN A 14 -0.140 10.809 -5.242 1.00 0.00 N ATOM 174 CA ASN A 14 -0.434 12.051 -4.537 1.00 0.00 C ATOM 175 C ASN A 14 0.791 12.547 -3.775 1.00 0.00 C ATOM 176 O ASN A 14 1.195 11.953 -2.775 1.00 0.00 O ATOM 177 CB ASN A 14 -1.602 11.848 -3.570 1.00 0.00 C ATOM 178 CG ASN A 14 -2.735 11.052 -4.190 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.507 11.574 -4.993 1.00 0.00 O ATOM 180 ND2 ASN A 14 -2.838 9.781 -3.818 1.00 0.00 N ATOM 0 H ASN A 14 -0.723 10.019 -4.966 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.709 12.803 -5.276 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.246 11.333 -2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.977 12.820 -3.249 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.580 9.196 -4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.175 9.390 -3.149 1.00 0.00 H new ATOM 187 N ASP A 15 1.377 13.639 -4.255 1.00 0.00 N ATOM 188 CA ASP A 15 2.555 14.217 -3.618 1.00 0.00 C ATOM 189 C ASP A 15 2.415 14.200 -2.099 1.00 0.00 C ATOM 190 O ASP A 15 3.370 13.904 -1.381 1.00 0.00 O ATOM 191 CB ASP A 15 2.774 15.649 -4.107 1.00 0.00 C ATOM 192 CG ASP A 15 1.609 16.560 -3.772 1.00 0.00 C ATOM 193 OD1 ASP A 15 0.456 16.081 -3.795 1.00 0.00 O ATOM 194 OD2 ASP A 15 1.851 17.751 -3.486 1.00 0.00 O ATOM 0 H ASP A 15 1.056 14.141 -5.083 1.00 0.00 H new ATOM 0 HA ASP A 15 3.419 13.612 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.684 16.048 -3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.927 15.642 -5.186 1.00 0.00 H new ATOM 199 N ASP A 16 1.220 14.522 -1.617 1.00 0.00 N ATOM 200 CA ASP A 16 0.955 14.544 -0.183 1.00 0.00 C ATOM 201 C ASP A 16 1.494 13.285 0.489 1.00 0.00 C ATOM 202 O ASP A 16 0.888 12.217 0.404 1.00 0.00 O ATOM 203 CB ASP A 16 -0.547 14.673 0.078 1.00 0.00 C ATOM 204 CG ASP A 16 -1.016 16.115 0.057 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.156 16.678 -1.049 1.00 0.00 O ATOM 206 OD2 ASP A 16 -1.245 16.679 1.147 1.00 0.00 O ATOM 0 H ASP A 16 0.419 14.771 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 16 1.466 15.408 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.094 14.105 -0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.784 14.231 1.046 1.00 0.00 H new ATOM 211 N ILE A 17 2.636 13.419 1.155 1.00 0.00 N ATOM 212 CA ILE A 17 3.256 12.293 1.841 1.00 0.00 C ATOM 213 C ILE A 17 2.548 11.995 3.159 1.00 0.00 C ATOM 214 O ILE A 17 2.350 12.886 3.986 1.00 0.00 O ATOM 215 CB ILE A 17 4.747 12.556 2.121 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.915 13.814 2.975 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.515 12.690 0.814 1.00 0.00 C ATOM 218 CD1 ILE A 17 6.358 14.221 3.176 1.00 0.00 C ATOM 0 H ILE A 17 3.150 14.296 1.234 1.00 0.00 H new ATOM 0 HA ILE A 17 3.165 11.432 1.179 1.00 0.00 H new ATOM 0 HB ILE A 17 5.153 11.709 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.376 14.637 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.454 13.646 3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.568 12.876 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.419 11.769 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.110 13.522 0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.400 15.120 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.897 13.415 3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.818 14.421 2.208 1.00 0.00 H new ATOM 230 N LEU A 18 2.171 10.735 3.349 1.00 0.00 N ATOM 231 CA LEU A 18 1.487 10.318 4.568 1.00 0.00 C ATOM 232 C LEU A 18 1.881 8.896 4.954 1.00 0.00 C ATOM 233 O LEU A 18 2.064 8.036 4.092 1.00 0.00 O ATOM 234 CB LEU A 18 -0.029 10.406 4.382 1.00 0.00 C ATOM 235 CG LEU A 18 -0.613 11.817 4.289 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.089 11.761 3.931 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.407 12.565 5.598 1.00 0.00 C ATOM 0 H LEU A 18 2.327 9.985 2.675 1.00 0.00 H new ATOM 0 HA LEU A 18 1.788 10.990 5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.296 9.863 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.508 9.890 5.214 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.090 12.356 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.487 12.774 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.211 11.264 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.629 11.205 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.828 13.567 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.904 12.028 6.406 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.659 12.636 5.812 1.00 0.00 H new ATOM 249 N SER A 19 2.007 8.654 6.255 1.00 0.00 N ATOM 250 CA SER A 19 2.380 7.336 6.755 1.00 0.00 C ATOM 251 C SER A 19 1.425 6.266 6.234 1.00 0.00 C ATOM 252 O SER A 19 0.315 6.569 5.799 1.00 0.00 O ATOM 253 CB SER A 19 2.385 7.330 8.285 1.00 0.00 C ATOM 254 OG SER A 19 1.064 7.330 8.798 1.00 0.00 O ATOM 0 H SER A 19 1.856 9.354 6.982 1.00 0.00 H new ATOM 0 HA SER A 19 3.383 7.109 6.394 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.919 6.452 8.647 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.922 8.204 8.654 1.00 0.00 H new ATOM 0 HG SER A 19 1.078 7.610 9.737 1.00 0.00 H new ATOM 260 N MET A 20 1.867 5.014 6.281 1.00 0.00 N ATOM 261 CA MET A 20 1.052 3.898 5.815 1.00 0.00 C ATOM 262 C MET A 20 -0.344 3.951 6.429 1.00 0.00 C ATOM 263 O MET A 20 -1.357 3.892 5.732 1.00 0.00 O ATOM 264 CB MET A 20 1.724 2.568 6.161 1.00 0.00 C ATOM 265 CG MET A 20 1.534 1.497 5.100 1.00 0.00 C ATOM 266 SD MET A 20 0.055 0.502 5.373 1.00 0.00 S ATOM 267 CE MET A 20 -0.269 -0.086 3.712 1.00 0.00 C ATOM 0 H MET A 20 2.785 4.747 6.637 1.00 0.00 H new ATOM 0 HA MET A 20 0.957 3.977 4.732 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.791 2.737 6.308 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.325 2.204 7.108 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.473 1.969 4.120 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.408 0.846 5.086 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.268 -0.519 3.668 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.203 0.747 3.012 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.467 -0.844 3.444 1.00 0.00 H new ATOM 277 N PRO A 21 -0.400 4.065 7.764 1.00 0.00 N ATOM 278 CA PRO A 21 -1.666 4.128 8.500 1.00 0.00 C ATOM 279 C PRO A 21 -2.412 5.436 8.259 1.00 0.00 C ATOM 280 O PRO A 21 -3.549 5.603 8.700 1.00 0.00 O ATOM 281 CB PRO A 21 -1.231 4.023 9.964 1.00 0.00 C ATOM 282 CG PRO A 21 0.169 4.532 9.981 1.00 0.00 C ATOM 283 CD PRO A 21 0.767 4.141 8.658 1.00 0.00 C ATOM 0 HA PRO A 21 -2.357 3.345 8.189 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.876 4.617 10.612 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.282 2.994 10.319 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.190 5.614 10.114 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.732 4.098 10.807 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.491 4.878 8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.289 3.186 8.720 1.00 0.00 H new ATOM 291 N GLN A 22 -1.765 6.361 7.557 1.00 0.00 N ATOM 292 CA GLN A 22 -2.368 7.654 7.259 1.00 0.00 C ATOM 293 C GLN A 22 -2.911 7.685 5.834 1.00 0.00 C ATOM 294 O GLN A 22 -3.942 8.302 5.565 1.00 0.00 O ATOM 295 CB GLN A 22 -1.345 8.774 7.452 1.00 0.00 C ATOM 296 CG GLN A 22 -1.134 9.161 8.907 1.00 0.00 C ATOM 297 CD GLN A 22 -2.324 9.895 9.494 1.00 0.00 C ATOM 298 OE1 GLN A 22 -2.915 9.455 10.480 1.00 0.00 O ATOM 299 NE2 GLN A 22 -2.682 11.022 8.889 1.00 0.00 N ATOM 0 H GLN A 22 -0.823 6.239 7.184 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.198 7.807 7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.392 8.461 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.671 9.652 6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.940 8.263 9.494 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.248 9.791 8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.164 11.350 8.074 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.475 11.559 9.239 1.00 0.00 H new ATOM 308 N ALA A 23 -2.209 7.017 4.924 1.00 0.00 N ATOM 309 CA ALA A 23 -2.622 6.967 3.527 1.00 0.00 C ATOM 310 C ALA A 23 -3.866 6.102 3.352 1.00 0.00 C ATOM 311 O ALA A 23 -4.942 6.604 3.026 1.00 0.00 O ATOM 312 CB ALA A 23 -1.487 6.444 2.659 1.00 0.00 C ATOM 0 H ALA A 23 -1.352 6.503 5.129 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.869 7.981 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.810 6.412 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.624 7.104 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.213 5.441 2.985 1.00 0.00 H new ATOM 318 N ARG A 24 -3.710 4.801 3.570 1.00 0.00 N ATOM 319 CA ARG A 24 -4.821 3.866 3.434 1.00 0.00 C ATOM 320 C ARG A 24 -6.115 4.479 3.961 1.00 0.00 C ATOM 321 O ARG A 24 -7.179 4.311 3.367 1.00 0.00 O ATOM 322 CB ARG A 24 -4.517 2.567 4.184 1.00 0.00 C ATOM 323 CG ARG A 24 -4.286 2.764 5.673 1.00 0.00 C ATOM 324 CD ARG A 24 -3.598 1.558 6.294 1.00 0.00 C ATOM 325 NE ARG A 24 -3.918 1.416 7.712 1.00 0.00 N ATOM 326 CZ ARG A 24 -3.337 0.527 8.511 1.00 0.00 C ATOM 327 NH1 ARG A 24 -2.411 -0.292 8.033 1.00 0.00 N ATOM 328 NH2 ARG A 24 -3.682 0.458 9.790 1.00 0.00 N ATOM 0 H ARG A 24 -2.826 4.370 3.841 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.949 3.645 2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.345 1.873 4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.633 2.103 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.678 3.654 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.240 2.936 6.171 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.899 0.655 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.519 1.654 6.174 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.626 2.033 8.111 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.143 -0.241 7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.966 -0.974 8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.394 1.088 10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.236 -0.225 10.403 1.00 0.00 H new ATOM 342 N ASN A 25 -6.015 5.189 5.080 1.00 0.00 N ATOM 343 CA ASN A 25 -7.177 5.826 5.687 1.00 0.00 C ATOM 344 C ASN A 25 -7.767 6.883 4.758 1.00 0.00 C ATOM 345 O ASN A 25 -8.985 7.010 4.637 1.00 0.00 O ATOM 346 CB ASN A 25 -6.795 6.463 7.025 1.00 0.00 C ATOM 347 CG ASN A 25 -7.644 7.677 7.351 1.00 0.00 C ATOM 348 OD1 ASN A 25 -8.870 7.638 7.244 1.00 0.00 O ATOM 349 ND2 ASN A 25 -6.994 8.763 7.751 1.00 0.00 N ATOM 0 H ASN A 25 -5.141 5.337 5.585 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.931 5.058 5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.902 5.724 7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.745 6.754 6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.512 9.610 7.984 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.977 8.750 7.825 1.00 0.00 H new ATOM 356 N PHE A 26 -6.893 7.639 4.102 1.00 0.00 N ATOM 357 CA PHE A 26 -7.326 8.685 3.182 1.00 0.00 C ATOM 358 C PHE A 26 -8.041 8.087 1.975 1.00 0.00 C ATOM 359 O PHE A 26 -9.250 8.250 1.811 1.00 0.00 O ATOM 360 CB PHE A 26 -6.127 9.515 2.720 1.00 0.00 C ATOM 361 CG PHE A 26 -6.499 10.651 1.810 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.828 10.415 0.485 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.520 11.954 2.279 1.00 0.00 C ATOM 364 CE1 PHE A 26 -7.170 11.458 -0.355 1.00 0.00 C ATOM 365 CE2 PHE A 26 -6.862 13.001 1.445 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.188 12.753 0.126 1.00 0.00 C ATOM 0 H PHE A 26 -5.881 7.547 4.190 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.025 9.333 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.613 9.914 3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.421 8.864 2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.817 9.404 0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.266 12.154 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.423 11.261 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.874 14.012 1.824 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.456 13.570 -0.528 1.00 0.00 H new ATOM 376 N CYS A 27 -7.284 7.393 1.131 1.00 0.00 N ATOM 377 CA CYS A 27 -7.843 6.770 -0.063 1.00 0.00 C ATOM 378 C CYS A 27 -9.204 6.149 0.234 1.00 0.00 C ATOM 379 O CYS A 27 -10.093 6.141 -0.617 1.00 0.00 O ATOM 380 CB CYS A 27 -6.888 5.702 -0.601 1.00 0.00 C ATOM 381 SG CYS A 27 -5.464 6.371 -1.518 1.00 0.00 S ATOM 0 H CYS A 27 -6.282 7.248 1.252 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.974 7.544 -0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.521 5.105 0.234 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.444 5.029 -1.254 1.00 0.00 H new ATOM 386 N ALA A 28 -9.359 5.630 1.447 1.00 0.00 N ATOM 387 CA ALA A 28 -10.612 5.008 1.858 1.00 0.00 C ATOM 388 C ALA A 28 -11.678 6.060 2.145 1.00 0.00 C ATOM 389 O ALA A 28 -12.790 5.989 1.622 1.00 0.00 O ATOM 390 CB ALA A 28 -10.390 4.131 3.081 1.00 0.00 C ATOM 0 H ALA A 28 -8.632 5.628 2.163 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.966 4.384 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.334 3.673 3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.667 3.351 2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.010 4.740 3.901 1.00 0.00 H new ATOM 396 N SER A 29 -11.332 7.035 2.980 1.00 0.00 N ATOM 397 CA SER A 29 -12.261 8.099 3.340 1.00 0.00 C ATOM 398 C SER A 29 -12.862 8.740 2.093 1.00 0.00 C ATOM 399 O SER A 29 -13.914 9.377 2.154 1.00 0.00 O ATOM 400 CB SER A 29 -11.552 9.161 4.182 1.00 0.00 C ATOM 401 OG SER A 29 -11.619 8.845 5.562 1.00 0.00 O ATOM 0 H SER A 29 -10.415 7.110 3.420 1.00 0.00 H new ATOM 0 HA SER A 29 -13.068 7.660 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.509 9.238 3.873 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.009 10.135 4.006 1.00 0.00 H new ATOM 0 HG SER A 29 -11.157 9.538 6.079 1.00 0.00 H new ATOM 407 N ALA A 30 -12.186 8.568 0.962 1.00 0.00 N ATOM 408 CA ALA A 30 -12.652 9.127 -0.300 1.00 0.00 C ATOM 409 C ALA A 30 -13.564 8.148 -1.032 1.00 0.00 C ATOM 410 O ALA A 30 -14.550 8.546 -1.651 1.00 0.00 O ATOM 411 CB ALA A 30 -11.470 9.507 -1.179 1.00 0.00 C ATOM 0 H ALA A 30 -11.313 8.045 0.894 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.229 10.025 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.834 9.923 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.859 10.249 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.869 8.621 -1.384 1.00 0.00 H new ATOM 417 N GLY A 31 -13.228 6.864 -0.956 1.00 0.00 N ATOM 418 CA GLY A 31 -14.026 5.847 -1.616 1.00 0.00 C ATOM 419 C GLY A 31 -13.183 4.887 -2.431 1.00 0.00 C ATOM 420 O GLY A 31 -13.553 4.518 -3.545 1.00 0.00 O ATOM 0 H GLY A 31 -12.417 6.510 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.587 5.287 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.756 6.328 -2.267 1.00 0.00 H new ATOM 424 N GLY A 32 -12.045 4.482 -1.876 1.00 0.00 N ATOM 425 CA GLY A 32 -11.164 3.564 -2.574 1.00 0.00 C ATOM 426 C GLY A 32 -10.209 2.851 -1.637 1.00 0.00 C ATOM 427 O GLY A 32 -10.417 2.833 -0.424 1.00 0.00 O ATOM 0 H GLY A 32 -11.717 4.773 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.763 2.826 -3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.592 4.113 -3.322 1.00 0.00 H new ATOM 431 N TYR A 33 -9.160 2.262 -2.200 1.00 0.00 N ATOM 432 CA TYR A 33 -8.172 1.541 -1.407 1.00 0.00 C ATOM 433 C TYR A 33 -6.817 1.524 -2.109 1.00 0.00 C ATOM 434 O TYR A 33 -6.730 1.722 -3.322 1.00 0.00 O ATOM 435 CB TYR A 33 -8.642 0.109 -1.147 1.00 0.00 C ATOM 436 CG TYR A 33 -9.207 -0.575 -2.372 1.00 0.00 C ATOM 437 CD1 TYR A 33 -8.382 -1.274 -3.244 1.00 0.00 C ATOM 438 CD2 TYR A 33 -10.566 -0.522 -2.656 1.00 0.00 C ATOM 439 CE1 TYR A 33 -8.894 -1.899 -4.365 1.00 0.00 C ATOM 440 CE2 TYR A 33 -11.087 -1.145 -3.774 1.00 0.00 C ATOM 441 CZ TYR A 33 -10.247 -1.832 -4.625 1.00 0.00 C ATOM 442 OH TYR A 33 -10.761 -2.455 -5.739 1.00 0.00 O ATOM 0 H TYR A 33 -8.972 2.270 -3.203 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.061 2.058 -0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.804 -0.476 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.401 0.121 -0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.322 -1.330 -3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.227 0.015 -1.992 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.238 -2.437 -5.034 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.146 -1.094 -3.980 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.730 -2.313 -5.775 1.00 0.00 H new ATOM 452 N LEU A 34 -5.762 1.286 -1.338 1.00 0.00 N ATOM 453 CA LEU A 34 -4.410 1.242 -1.884 1.00 0.00 C ATOM 454 C LEU A 34 -4.339 0.310 -3.089 1.00 0.00 C ATOM 455 O LEU A 34 -4.948 -0.760 -3.095 1.00 0.00 O ATOM 456 CB LEU A 34 -3.420 0.784 -0.812 1.00 0.00 C ATOM 457 CG LEU A 34 -2.970 1.851 0.186 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.229 1.214 1.351 1.00 0.00 C ATOM 459 CD2 LEU A 34 -2.095 2.889 -0.501 1.00 0.00 C ATOM 0 H LEU A 34 -5.816 1.121 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.144 2.248 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.872 -0.037 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.536 0.384 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.856 2.352 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.916 1.989 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.887 0.510 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.351 0.686 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.784 3.641 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.214 2.403 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.659 3.369 -1.301 1.00 0.00 H new ATOM 471 N ALA A 35 -3.591 0.723 -4.107 1.00 0.00 N ATOM 472 CA ALA A 35 -3.438 -0.077 -5.316 1.00 0.00 C ATOM 473 C ALA A 35 -2.355 -1.136 -5.140 1.00 0.00 C ATOM 474 O ALA A 35 -1.176 -0.814 -4.994 1.00 0.00 O ATOM 475 CB ALA A 35 -3.115 0.817 -6.504 1.00 0.00 C ATOM 0 H ALA A 35 -3.082 1.607 -4.118 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.382 -0.587 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.004 0.206 -7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.924 1.533 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.186 1.354 -6.313 1.00 0.00 H new ATOM 481 N ASP A 36 -2.763 -2.400 -5.153 1.00 0.00 N ATOM 482 CA ASP A 36 -1.827 -3.508 -4.994 1.00 0.00 C ATOM 483 C ASP A 36 -0.917 -3.629 -6.213 1.00 0.00 C ATOM 484 O ASP A 36 -1.069 -2.893 -7.189 1.00 0.00 O ATOM 485 CB ASP A 36 -2.585 -4.818 -4.777 1.00 0.00 C ATOM 486 CG ASP A 36 -3.839 -4.909 -5.625 1.00 0.00 C ATOM 487 OD1 ASP A 36 -4.903 -4.448 -5.161 1.00 0.00 O ATOM 488 OD2 ASP A 36 -3.756 -5.441 -6.751 1.00 0.00 O ATOM 0 H ASP A 36 -3.736 -2.683 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.209 -3.306 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.930 -5.657 -5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.854 -4.909 -3.725 1.00 0.00 H new ATOM 493 N ASP A 37 0.028 -4.559 -6.149 1.00 0.00 N ATOM 494 CA ASP A 37 0.963 -4.777 -7.247 1.00 0.00 C ATOM 495 C ASP A 37 0.913 -6.225 -7.724 1.00 0.00 C ATOM 496 O ASP A 37 1.949 -6.870 -7.896 1.00 0.00 O ATOM 497 CB ASP A 37 2.385 -4.419 -6.813 1.00 0.00 C ATOM 498 CG ASP A 37 3.265 -4.023 -7.982 1.00 0.00 C ATOM 499 OD1 ASP A 37 2.860 -3.128 -8.753 1.00 0.00 O ATOM 500 OD2 ASP A 37 4.359 -4.607 -8.125 1.00 0.00 O ATOM 0 H ASP A 37 0.168 -5.175 -5.348 1.00 0.00 H new ATOM 0 HA ASP A 37 0.670 -4.130 -8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.347 -3.599 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.830 -5.271 -6.299 1.00 0.00 H new ATOM 505 N LEU A 38 -0.297 -6.731 -7.936 1.00 0.00 N ATOM 506 CA LEU A 38 -0.482 -8.104 -8.393 1.00 0.00 C ATOM 507 C LEU A 38 -0.697 -8.151 -9.903 1.00 0.00 C ATOM 508 O LEU A 38 -1.808 -7.945 -10.389 1.00 0.00 O ATOM 509 CB LEU A 38 -1.673 -8.744 -7.677 1.00 0.00 C ATOM 510 CG LEU A 38 -1.580 -8.815 -6.152 1.00 0.00 C ATOM 511 CD1 LEU A 38 -2.966 -8.759 -5.530 1.00 0.00 C ATOM 512 CD2 LEU A 38 -0.850 -10.079 -5.721 1.00 0.00 C ATOM 0 H LEU A 38 -1.164 -6.212 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 38 0.422 -8.665 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.572 -8.187 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.801 -9.756 -8.061 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.012 -7.954 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.880 -8.811 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.454 -7.826 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.559 -9.600 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.793 -10.113 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.391 -10.953 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.157 -10.077 -6.137 1.00 0.00 H new ATOM 524 N GLY A 39 0.375 -8.427 -10.640 1.00 0.00 N ATOM 525 CA GLY A 39 0.282 -8.498 -12.086 1.00 0.00 C ATOM 526 C GLY A 39 1.438 -7.802 -12.776 1.00 0.00 C ATOM 527 O GLY A 39 1.640 -6.600 -12.603 1.00 0.00 O ATOM 0 H GLY A 39 1.306 -8.603 -10.261 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.255 -9.543 -12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.656 -8.046 -12.409 1.00 0.00 H new ATOM 531 N ASP A 40 2.200 -8.558 -13.559 1.00 0.00 N ATOM 532 CA ASP A 40 3.343 -8.006 -14.278 1.00 0.00 C ATOM 533 C ASP A 40 2.970 -6.698 -14.969 1.00 0.00 C ATOM 534 O ASP A 40 3.732 -5.732 -14.944 1.00 0.00 O ATOM 535 CB ASP A 40 3.859 -9.012 -15.307 1.00 0.00 C ATOM 536 CG ASP A 40 4.908 -8.415 -16.225 1.00 0.00 C ATOM 537 OD1 ASP A 40 4.527 -7.846 -17.269 1.00 0.00 O ATOM 538 OD2 ASP A 40 6.109 -8.518 -15.899 1.00 0.00 O ATOM 0 H ASP A 40 2.047 -9.555 -13.712 1.00 0.00 H new ATOM 0 HA ASP A 40 4.132 -7.801 -13.554 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.281 -9.873 -14.789 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.024 -9.378 -15.904 1.00 0.00 H new ATOM 543 N ASP A 41 1.794 -6.676 -15.586 1.00 0.00 N ATOM 544 CA ASP A 41 1.320 -5.486 -16.285 1.00 0.00 C ATOM 545 C ASP A 41 1.003 -4.367 -15.298 1.00 0.00 C ATOM 546 O ASP A 41 1.221 -3.190 -15.587 1.00 0.00 O ATOM 547 CB ASP A 41 0.079 -5.818 -17.115 1.00 0.00 C ATOM 548 CG ASP A 41 -0.077 -4.902 -18.313 1.00 0.00 C ATOM 549 OD1 ASP A 41 0.920 -4.697 -19.037 1.00 0.00 O ATOM 550 OD2 ASP A 41 -1.196 -4.392 -18.528 1.00 0.00 O ATOM 0 H ASP A 41 1.151 -7.468 -15.617 1.00 0.00 H new ATOM 0 HA ASP A 41 2.113 -5.145 -16.951 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.139 -6.851 -17.457 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.807 -5.742 -16.485 1.00 0.00 H new ATOM 555 N LYS A 42 0.486 -4.741 -14.133 1.00 0.00 N ATOM 556 CA LYS A 42 0.139 -3.769 -13.102 1.00 0.00 C ATOM 557 C LYS A 42 1.380 -3.032 -12.609 1.00 0.00 C ATOM 558 O LYS A 42 1.403 -1.804 -12.555 1.00 0.00 O ATOM 559 CB LYS A 42 -0.554 -4.466 -11.929 1.00 0.00 C ATOM 560 CG LYS A 42 -1.349 -3.521 -11.044 1.00 0.00 C ATOM 561 CD LYS A 42 -2.733 -3.258 -11.612 1.00 0.00 C ATOM 562 CE LYS A 42 -3.486 -2.223 -10.789 1.00 0.00 C ATOM 563 NZ LYS A 42 -3.913 -2.767 -9.470 1.00 0.00 N ATOM 0 H LYS A 42 0.298 -5.711 -13.879 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.544 -3.041 -13.539 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.222 -5.235 -12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.197 -4.973 -11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.440 -3.947 -10.045 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.812 -2.578 -10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.645 -2.912 -12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.300 -4.188 -11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.851 -1.351 -10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.362 -1.885 -11.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.652 -2.157 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.289 -3.728 -9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.097 -2.796 -8.826 1.00 0.00 H new ATOM 577 N ASN A 43 2.410 -3.792 -12.252 1.00 0.00 N ATOM 578 CA ASN A 43 3.656 -3.210 -11.764 1.00 0.00 C ATOM 579 C ASN A 43 4.282 -2.302 -12.818 1.00 0.00 C ATOM 580 O ASN A 43 4.716 -1.191 -12.517 1.00 0.00 O ATOM 581 CB ASN A 43 4.641 -4.314 -11.375 1.00 0.00 C ATOM 582 CG ASN A 43 6.065 -3.804 -11.262 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.621 -3.721 -10.167 1.00 0.00 O ATOM 584 ND2 ASN A 43 6.662 -3.460 -12.397 1.00 0.00 N ATOM 0 H ASN A 43 2.407 -4.811 -12.291 1.00 0.00 H new ATOM 0 HA ASN A 43 3.427 -2.610 -10.883 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.337 -4.750 -10.423 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.601 -5.111 -12.117 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.620 -3.110 -12.384 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.163 -3.545 -13.282 1.00 0.00 H new ATOM 591 N ASN A 44 4.324 -2.784 -14.056 1.00 0.00 N ATOM 592 CA ASN A 44 4.896 -2.016 -15.156 1.00 0.00 C ATOM 593 C ASN A 44 4.235 -0.645 -15.265 1.00 0.00 C ATOM 594 O ASN A 44 4.915 0.379 -15.348 1.00 0.00 O ATOM 595 CB ASN A 44 4.737 -2.777 -16.474 1.00 0.00 C ATOM 596 CG ASN A 44 5.763 -3.883 -16.630 1.00 0.00 C ATOM 597 OD1 ASN A 44 6.966 -3.650 -16.512 1.00 0.00 O ATOM 598 ND2 ASN A 44 5.290 -5.095 -16.898 1.00 0.00 N ATOM 0 H ASN A 44 3.969 -3.702 -14.322 1.00 0.00 H new ATOM 0 HA ASN A 44 5.957 -1.873 -14.952 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.736 -3.204 -16.525 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.829 -2.080 -17.307 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.932 -5.879 -17.015 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.285 -5.242 -16.987 1.00 0.00 H new ATOM 605 N PHE A 45 2.907 -0.633 -15.263 1.00 0.00 N ATOM 606 CA PHE A 45 2.153 0.612 -15.361 1.00 0.00 C ATOM 607 C PHE A 45 2.608 1.608 -14.299 1.00 0.00 C ATOM 608 O PHE A 45 2.664 2.813 -14.546 1.00 0.00 O ATOM 609 CB PHE A 45 0.655 0.339 -15.213 1.00 0.00 C ATOM 610 CG PHE A 45 -0.131 1.537 -14.764 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.268 2.641 -15.589 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.732 1.560 -13.516 1.00 0.00 C ATOM 613 CE1 PHE A 45 -0.991 3.746 -15.180 1.00 0.00 C ATOM 614 CE2 PHE A 45 -1.457 2.662 -13.101 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.585 3.756 -13.933 1.00 0.00 C ATOM 0 H PHE A 45 2.330 -1.471 -15.195 1.00 0.00 H new ATOM 0 HA PHE A 45 2.340 1.045 -16.344 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.261 -0.007 -16.169 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.510 -0.470 -14.497 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.196 2.639 -16.564 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.633 0.708 -12.860 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.091 4.600 -15.834 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.923 2.667 -12.127 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.149 4.618 -13.609 1.00 0.00 H new ATOM 625 N TYR A 46 2.931 1.097 -13.116 1.00 0.00 N ATOM 626 CA TYR A 46 3.378 1.941 -12.015 1.00 0.00 C ATOM 627 C TYR A 46 4.792 2.457 -12.263 1.00 0.00 C ATOM 628 O TYR A 46 5.082 3.634 -12.046 1.00 0.00 O ATOM 629 CB TYR A 46 3.330 1.165 -10.698 1.00 0.00 C ATOM 630 CG TYR A 46 1.927 0.891 -10.206 1.00 0.00 C ATOM 631 CD1 TYR A 46 0.974 1.901 -10.166 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.553 -0.379 -9.783 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.309 1.656 -9.717 1.00 0.00 C ATOM 634 CE2 TYR A 46 0.272 -0.634 -9.334 1.00 0.00 C ATOM 635 CZ TYR A 46 -0.655 0.387 -9.302 1.00 0.00 C ATOM 636 OH TYR A 46 -1.933 0.138 -8.855 1.00 0.00 O ATOM 0 H TYR A 46 2.891 0.102 -12.895 1.00 0.00 H new ATOM 0 HA TYR A 46 2.705 2.796 -11.950 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.853 0.217 -10.826 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.870 1.726 -9.936 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.241 2.895 -10.492 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.277 -1.180 -9.806 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.037 2.453 -9.691 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.002 -1.627 -9.010 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.580 0.486 -9.503 1.00 0.00 H new ATOM 646 N SER A 47 5.667 1.568 -12.721 1.00 0.00 N ATOM 647 CA SER A 47 7.052 1.932 -12.996 1.00 0.00 C ATOM 648 C SER A 47 7.124 3.210 -13.825 1.00 0.00 C ATOM 649 O SER A 47 8.022 4.033 -13.643 1.00 0.00 O ATOM 650 CB SER A 47 7.764 0.794 -13.731 1.00 0.00 C ATOM 651 OG SER A 47 9.144 1.075 -13.892 1.00 0.00 O ATOM 0 H SER A 47 5.442 0.591 -12.909 1.00 0.00 H new ATOM 0 HA SER A 47 7.551 2.109 -12.043 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.641 -0.135 -13.175 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.304 0.644 -14.708 1.00 0.00 H new ATOM 0 HG SER A 47 9.576 0.332 -14.363 1.00 0.00 H new ATOM 657 N SER A 48 6.171 3.371 -14.738 1.00 0.00 N ATOM 658 CA SER A 48 6.126 4.547 -15.599 1.00 0.00 C ATOM 659 C SER A 48 5.938 5.817 -14.775 1.00 0.00 C ATOM 660 O SER A 48 6.785 6.710 -14.788 1.00 0.00 O ATOM 661 CB SER A 48 4.995 4.415 -16.620 1.00 0.00 C ATOM 662 OG SER A 48 5.330 3.485 -17.636 1.00 0.00 O ATOM 0 H SER A 48 5.419 2.701 -14.900 1.00 0.00 H new ATOM 0 HA SER A 48 7.077 4.616 -16.128 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.082 4.095 -16.117 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.789 5.388 -17.067 1.00 0.00 H new ATOM 0 HG SER A 48 4.590 3.418 -18.275 1.00 0.00 H new ATOM 668 N ILE A 49 4.821 5.889 -14.059 1.00 0.00 N ATOM 669 CA ILE A 49 4.520 7.048 -13.227 1.00 0.00 C ATOM 670 C ILE A 49 5.438 7.105 -12.011 1.00 0.00 C ATOM 671 O ILE A 49 5.543 8.136 -11.347 1.00 0.00 O ATOM 672 CB ILE A 49 3.056 7.035 -12.751 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.835 5.904 -11.744 1.00 0.00 C ATOM 674 CG2 ILE A 49 2.114 6.887 -13.937 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.493 5.969 -11.047 1.00 0.00 C ATOM 0 H ILE A 49 4.109 5.159 -14.038 1.00 0.00 H new ATOM 0 HA ILE A 49 4.684 7.931 -13.845 1.00 0.00 H new ATOM 0 HB ILE A 49 2.841 7.983 -12.258 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.922 4.947 -12.259 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.626 5.935 -10.995 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.083 6.879 -13.584 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.257 7.723 -14.622 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.327 5.952 -14.456 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.405 5.137 -10.348 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.411 6.910 -10.503 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.695 5.907 -11.787 1.00 0.00 H new ATOM 687 N ALA A 50 6.104 5.990 -11.726 1.00 0.00 N ATOM 688 CA ALA A 50 7.017 5.914 -10.592 1.00 0.00 C ATOM 689 C ALA A 50 8.418 6.372 -10.984 1.00 0.00 C ATOM 690 O ALA A 50 9.402 6.006 -10.342 1.00 0.00 O ATOM 691 CB ALA A 50 7.057 4.497 -10.041 1.00 0.00 C ATOM 0 H ALA A 50 6.028 5.127 -12.265 1.00 0.00 H new ATOM 0 HA ALA A 50 6.649 6.584 -9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.743 4.455 -9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.059 4.205 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.398 3.814 -10.819 1.00 0.00 H new ATOM 697 N ALA A 51 8.500 7.172 -12.042 1.00 0.00 N ATOM 698 CA ALA A 51 9.781 7.680 -12.518 1.00 0.00 C ATOM 699 C ALA A 51 10.582 8.303 -11.379 1.00 0.00 C ATOM 700 O ALA A 51 10.508 9.508 -11.144 1.00 0.00 O ATOM 701 CB ALA A 51 9.565 8.694 -13.631 1.00 0.00 C ATOM 0 H ALA A 51 7.695 7.482 -12.586 1.00 0.00 H new ATOM 0 HA ALA A 51 10.354 6.841 -12.912 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.530 9.065 -13.977 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.041 8.218 -14.460 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.970 9.526 -13.255 1.00 0.00 H new ATOM 707 N ASN A 52 11.345 7.474 -10.676 1.00 0.00 N ATOM 708 CA ASN A 52 12.159 7.944 -9.561 1.00 0.00 C ATOM 709 C ASN A 52 11.280 8.391 -8.396 1.00 0.00 C ATOM 710 O ASN A 52 11.602 9.348 -7.692 1.00 0.00 O ATOM 711 CB ASN A 52 13.057 9.099 -10.009 1.00 0.00 C ATOM 712 CG ASN A 52 13.795 8.791 -11.297 1.00 0.00 C ATOM 713 OD1 ASN A 52 14.502 7.787 -11.396 1.00 0.00 O ATOM 714 ND2 ASN A 52 13.635 9.656 -12.292 1.00 0.00 N ATOM 0 H ASN A 52 11.417 6.473 -10.858 1.00 0.00 H new ATOM 0 HA ASN A 52 12.783 7.116 -9.225 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.451 9.995 -10.146 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.780 9.320 -9.223 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.108 9.502 -13.183 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.040 10.474 -12.165 1.00 0.00 H new ATOM 721 N THR A 53 10.168 7.690 -8.199 1.00 0.00 N ATOM 722 CA THR A 53 9.242 8.014 -7.121 1.00 0.00 C ATOM 723 C THR A 53 8.852 6.765 -6.337 1.00 0.00 C ATOM 724 O THR A 53 8.491 5.744 -6.920 1.00 0.00 O ATOM 725 CB THR A 53 7.965 8.687 -7.660 1.00 0.00 C ATOM 726 OG1 THR A 53 8.311 9.817 -8.468 1.00 0.00 O ATOM 727 CG2 THR A 53 7.064 9.130 -6.518 1.00 0.00 C ATOM 0 H THR A 53 9.887 6.894 -8.772 1.00 0.00 H new ATOM 0 HA THR A 53 9.759 8.709 -6.459 1.00 0.00 H new ATOM 0 HB THR A 53 7.425 7.960 -8.266 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.494 10.238 -8.808 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.169 9.602 -6.923 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.779 8.263 -5.922 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.597 9.843 -5.889 1.00 0.00 H new ATOM 735 N GLN A 54 8.928 6.856 -5.013 1.00 0.00 N ATOM 736 CA GLN A 54 8.582 5.732 -4.150 1.00 0.00 C ATOM 737 C GLN A 54 7.290 6.008 -3.389 1.00 0.00 C ATOM 738 O GLN A 54 7.188 6.989 -2.653 1.00 0.00 O ATOM 739 CB GLN A 54 9.718 5.451 -3.165 1.00 0.00 C ATOM 740 CG GLN A 54 11.083 5.342 -3.826 1.00 0.00 C ATOM 741 CD GLN A 54 12.203 5.146 -2.823 1.00 0.00 C ATOM 742 OE1 GLN A 54 12.047 5.439 -1.637 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.340 4.649 -3.294 1.00 0.00 N ATOM 0 H GLN A 54 9.226 7.695 -4.515 1.00 0.00 H new ATOM 0 HA GLN A 54 8.431 4.855 -4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.747 6.246 -2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.506 4.523 -2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.078 4.507 -4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.274 6.244 -4.407 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.425 4.420 -4.284 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.129 4.496 -2.666 1.00 0.00 H new ATOM 752 N PHE A 55 6.304 5.136 -3.572 1.00 0.00 N ATOM 753 CA PHE A 55 5.017 5.286 -2.903 1.00 0.00 C ATOM 754 C PHE A 55 4.592 3.978 -2.241 1.00 0.00 C ATOM 755 O PHE A 55 5.092 2.906 -2.583 1.00 0.00 O ATOM 756 CB PHE A 55 3.949 5.735 -3.902 1.00 0.00 C ATOM 757 CG PHE A 55 3.739 4.768 -5.032 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.684 4.643 -6.037 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.598 3.984 -5.088 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.494 3.754 -7.079 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.402 3.094 -6.127 1.00 0.00 C ATOM 762 CZ PHE A 55 3.352 2.978 -7.123 1.00 0.00 C ATOM 0 H PHE A 55 6.372 4.318 -4.178 1.00 0.00 H new ATOM 0 HA PHE A 55 5.124 6.046 -2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.006 5.875 -3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.232 6.705 -4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.579 5.247 -6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.853 4.069 -4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.237 3.666 -7.857 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.507 2.490 -6.160 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.202 2.282 -7.935 1.00 0.00 H new ATOM 772 N TRP A 56 3.668 4.075 -1.293 1.00 0.00 N ATOM 773 CA TRP A 56 3.175 2.901 -0.582 1.00 0.00 C ATOM 774 C TRP A 56 2.299 2.043 -1.489 1.00 0.00 C ATOM 775 O TRP A 56 1.874 2.486 -2.556 1.00 0.00 O ATOM 776 CB TRP A 56 2.387 3.323 0.659 1.00 0.00 C ATOM 777 CG TRP A 56 3.220 4.044 1.675 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.136 5.364 2.015 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.263 3.485 2.481 1.00 0.00 C ATOM 780 NE1 TRP A 56 4.065 5.660 2.984 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.768 4.524 3.287 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.818 2.208 2.601 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.801 4.323 4.199 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.843 2.011 3.506 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.326 3.063 4.295 1.00 0.00 C ATOM 0 H TRP A 56 3.244 4.955 -0.998 1.00 0.00 H new ATOM 0 HA TRP A 56 4.035 2.308 -0.272 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.561 3.966 0.355 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.949 2.438 1.121 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.442 6.071 1.586 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.208 6.576 3.408 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.452 1.390 1.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.174 5.133 4.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.280 1.028 3.607 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.129 2.876 4.993 1.00 0.00 H new ATOM 796 N ILE A 57 2.034 0.815 -1.058 1.00 0.00 N ATOM 797 CA ILE A 57 1.207 -0.104 -1.831 1.00 0.00 C ATOM 798 C ILE A 57 0.244 -0.868 -0.930 1.00 0.00 C ATOM 799 O ILE A 57 0.205 -0.652 0.281 1.00 0.00 O ATOM 800 CB ILE A 57 2.068 -1.111 -2.616 1.00 0.00 C ATOM 801 CG1 ILE A 57 2.969 -1.897 -1.662 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.900 -0.391 -3.667 1.00 0.00 C ATOM 803 CD1 ILE A 57 3.667 -3.068 -2.317 1.00 0.00 C ATOM 0 H ILE A 57 2.380 0.433 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 57 0.637 0.501 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 57 1.407 -1.814 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.719 -1.224 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.370 -2.262 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.503 -1.116 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.239 0.128 -4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.555 0.332 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.288 -3.579 -1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.923 -3.762 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.293 -2.708 -3.134 1.00 0.00 H new ATOM 815 N GLY A 58 -0.533 -1.766 -1.529 1.00 0.00 N ATOM 816 CA GLY A 58 -1.485 -2.552 -0.765 1.00 0.00 C ATOM 817 C GLY A 58 -0.810 -3.582 0.119 1.00 0.00 C ATOM 818 O GLY A 58 -1.404 -4.070 1.081 1.00 0.00 O ATOM 0 H GLY A 58 -0.520 -1.963 -2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.088 -1.887 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.167 -3.056 -1.449 1.00 0.00 H new ATOM 822 N LEU A 59 0.434 -3.915 -0.208 1.00 0.00 N ATOM 823 CA LEU A 59 1.191 -4.895 0.563 1.00 0.00 C ATOM 824 C LEU A 59 1.614 -4.320 1.911 1.00 0.00 C ATOM 825 O LEU A 59 2.154 -3.216 1.985 1.00 0.00 O ATOM 826 CB LEU A 59 2.425 -5.347 -0.221 1.00 0.00 C ATOM 827 CG LEU A 59 3.145 -6.584 0.316 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.320 -7.836 0.060 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.524 -6.714 -0.315 1.00 0.00 C ATOM 0 H LEU A 59 0.940 -3.521 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 59 0.546 -5.755 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.125 -5.544 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.136 -4.521 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 59 3.269 -6.469 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.849 -8.706 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.355 -7.744 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.164 -7.956 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.022 -7.600 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.422 -6.805 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.117 -5.830 -0.080 1.00 0.00 H new ATOM 841 N PHE A 60 1.366 -5.077 2.975 1.00 0.00 N ATOM 842 CA PHE A 60 1.722 -4.643 4.321 1.00 0.00 C ATOM 843 C PHE A 60 1.792 -5.832 5.275 1.00 0.00 C ATOM 844 O PHE A 60 0.972 -6.748 5.205 1.00 0.00 O ATOM 845 CB PHE A 60 0.706 -3.621 4.835 1.00 0.00 C ATOM 846 CG PHE A 60 -0.620 -4.225 5.200 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.757 -4.986 6.350 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.730 -4.032 4.393 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.976 -5.543 6.687 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.951 -4.586 4.725 1.00 0.00 C ATOM 851 CZ PHE A 60 -3.075 -5.342 5.874 1.00 0.00 C ATOM 0 H PHE A 60 0.920 -5.993 2.931 1.00 0.00 H new ATOM 0 HA PHE A 60 2.706 -4.176 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.120 -3.117 5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.551 -2.859 4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.098 -5.146 6.990 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.639 -3.441 3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.070 -6.135 7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.808 -4.428 4.087 1.00 0.00 H new ATOM 0 HZ PHE A 60 -4.029 -5.775 6.137 1.00 0.00 H new ATOM 861 N LYS A 61 2.777 -5.811 6.165 1.00 0.00 N ATOM 862 CA LYS A 61 2.956 -6.885 7.135 1.00 0.00 C ATOM 863 C LYS A 61 1.934 -6.777 8.261 1.00 0.00 C ATOM 864 O LYS A 61 1.489 -5.683 8.606 1.00 0.00 O ATOM 865 CB LYS A 61 4.373 -6.848 7.712 1.00 0.00 C ATOM 866 CG LYS A 61 4.602 -7.854 8.827 1.00 0.00 C ATOM 867 CD LYS A 61 6.082 -8.052 9.104 1.00 0.00 C ATOM 868 CE LYS A 61 6.734 -8.931 8.047 1.00 0.00 C ATOM 869 NZ LYS A 61 8.155 -9.233 8.376 1.00 0.00 N ATOM 0 H LYS A 61 3.465 -5.061 6.235 1.00 0.00 H new ATOM 0 HA LYS A 61 2.804 -7.834 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.088 -7.037 6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.576 -5.846 8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.104 -7.513 9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.151 -8.808 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.581 -7.083 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.212 -8.505 10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.176 -9.863 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.683 -8.433 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.563 -9.834 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.693 -8.345 8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.202 -9.731 9.288 1.00 0.00 H new ATOM 883 N ASN A 62 1.566 -7.920 8.832 1.00 0.00 N ATOM 884 CA ASN A 62 0.596 -7.953 9.921 1.00 0.00 C ATOM 885 C ASN A 62 1.278 -8.277 11.247 1.00 0.00 C ATOM 886 O ASN A 62 2.484 -8.517 11.294 1.00 0.00 O ATOM 887 CB ASN A 62 -0.494 -8.986 9.630 1.00 0.00 C ATOM 888 CG ASN A 62 -1.815 -8.632 10.285 1.00 0.00 C ATOM 889 OD1 ASN A 62 -1.898 -7.689 11.071 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.857 -9.391 9.962 1.00 0.00 N ATOM 0 H ASN A 62 1.925 -8.835 8.559 1.00 0.00 H new ATOM 0 HA ASN A 62 0.140 -6.966 9.998 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.636 -9.067 8.552 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.167 -9.964 9.983 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.772 -9.202 10.371 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.742 -10.163 9.305 1.00 0.00 H new ATOM 897 N SER A 63 0.496 -8.283 12.322 1.00 0.00 N ATOM 898 CA SER A 63 1.025 -8.575 13.650 1.00 0.00 C ATOM 899 C SER A 63 1.709 -9.938 13.675 1.00 0.00 C ATOM 900 O SER A 63 2.809 -10.083 14.208 1.00 0.00 O ATOM 901 CB SER A 63 -0.098 -8.536 14.688 1.00 0.00 C ATOM 902 OG SER A 63 -0.416 -7.202 15.046 1.00 0.00 O ATOM 0 H SER A 63 -0.505 -8.089 12.300 1.00 0.00 H new ATOM 0 HA SER A 63 1.765 -7.813 13.896 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.984 -9.030 14.288 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.204 -9.092 15.576 1.00 0.00 H new ATOM 0 HG SER A 63 -1.138 -7.204 15.709 1.00 0.00 H new ATOM 908 N ASP A 64 1.049 -10.935 13.094 1.00 0.00 N ATOM 909 CA ASP A 64 1.593 -12.287 13.048 1.00 0.00 C ATOM 910 C ASP A 64 3.037 -12.276 12.555 1.00 0.00 C ATOM 911 O ASP A 64 3.898 -12.957 13.110 1.00 0.00 O ATOM 912 CB ASP A 64 0.738 -13.173 12.141 1.00 0.00 C ATOM 913 CG ASP A 64 -0.473 -13.738 12.857 1.00 0.00 C ATOM 914 OD1 ASP A 64 -0.497 -13.695 14.105 1.00 0.00 O ATOM 915 OD2 ASP A 64 -1.396 -14.223 12.170 1.00 0.00 O ATOM 0 H ASP A 64 0.137 -10.832 12.649 1.00 0.00 H new ATOM 0 HA ASP A 64 1.577 -12.693 14.059 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.409 -12.594 11.278 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.347 -13.993 11.761 1.00 0.00 H new ATOM 920 N GLY A 65 3.293 -11.498 11.508 1.00 0.00 N ATOM 921 CA GLY A 65 4.633 -11.414 10.957 1.00 0.00 C ATOM 922 C GLY A 65 4.673 -11.740 9.477 1.00 0.00 C ATOM 923 O GLY A 65 5.748 -11.852 8.889 1.00 0.00 O ATOM 0 H GLY A 65 2.597 -10.925 11.032 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.025 -10.409 11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.287 -12.100 11.495 1.00 0.00 H new ATOM 927 N GLN A 66 3.498 -11.894 8.875 1.00 0.00 N ATOM 928 CA GLN A 66 3.404 -12.213 7.455 1.00 0.00 C ATOM 929 C GLN A 66 2.957 -10.995 6.653 1.00 0.00 C ATOM 930 O GLN A 66 2.466 -10.015 7.214 1.00 0.00 O ATOM 931 CB GLN A 66 2.429 -13.370 7.233 1.00 0.00 C ATOM 932 CG GLN A 66 2.649 -14.540 8.180 1.00 0.00 C ATOM 933 CD GLN A 66 2.229 -15.866 7.577 1.00 0.00 C ATOM 934 OE1 GLN A 66 2.787 -16.308 6.572 1.00 0.00 O ATOM 935 NE2 GLN A 66 1.241 -16.508 8.188 1.00 0.00 N ATOM 0 H GLN A 66 2.599 -11.803 9.348 1.00 0.00 H new ATOM 0 HA GLN A 66 4.394 -12.511 7.109 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.409 -13.003 7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.523 -13.722 6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.703 -14.587 8.454 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.088 -14.369 9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.807 -16.105 9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.916 -17.405 7.827 1.00 0.00 H new ATOM 944 N PHE A 67 3.130 -11.063 5.337 1.00 0.00 N ATOM 945 CA PHE A 67 2.745 -9.966 4.457 1.00 0.00 C ATOM 946 C PHE A 67 1.359 -10.204 3.865 1.00 0.00 C ATOM 947 O PHE A 67 1.075 -11.277 3.332 1.00 0.00 O ATOM 948 CB PHE A 67 3.770 -9.801 3.334 1.00 0.00 C ATOM 949 CG PHE A 67 5.080 -9.229 3.796 1.00 0.00 C ATOM 950 CD1 PHE A 67 5.197 -7.879 4.087 1.00 0.00 C ATOM 951 CD2 PHE A 67 6.193 -10.040 3.941 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.401 -7.350 4.512 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.400 -9.517 4.366 1.00 0.00 C ATOM 954 CZ PHE A 67 7.503 -8.170 4.653 1.00 0.00 C ATOM 0 H PHE A 67 3.534 -11.867 4.857 1.00 0.00 H new ATOM 0 HA PHE A 67 2.715 -9.052 5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.950 -10.772 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.352 -9.153 2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.338 -7.233 3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.117 -11.094 3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.480 -6.296 4.734 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.261 -10.160 4.473 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.444 -7.759 4.987 1.00 0.00 H new ATOM 964 N TYR A 68 0.499 -9.196 3.964 1.00 0.00 N ATOM 965 CA TYR A 68 -0.858 -9.295 3.442 1.00 0.00 C ATOM 966 C TYR A 68 -1.116 -8.224 2.387 1.00 0.00 C ATOM 967 O TYR A 68 -0.213 -7.476 2.012 1.00 0.00 O ATOM 968 CB TYR A 68 -1.875 -9.164 4.577 1.00 0.00 C ATOM 969 CG TYR A 68 -1.834 -10.310 5.562 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.794 -10.431 6.475 1.00 0.00 C ATOM 971 CD2 TYR A 68 -2.837 -11.273 5.580 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.753 -11.477 7.376 1.00 0.00 C ATOM 973 CE2 TYR A 68 -2.804 -12.321 6.478 1.00 0.00 C ATOM 974 CZ TYR A 68 -1.760 -12.420 7.374 1.00 0.00 C ATOM 975 OH TYR A 68 -1.723 -13.463 8.271 1.00 0.00 O ATOM 0 H TYR A 68 0.718 -8.301 4.401 1.00 0.00 H new ATOM 0 HA TYR A 68 -0.969 -10.274 2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.693 -8.231 5.110 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.876 -9.098 4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.004 -9.695 6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.656 -11.200 4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.063 -11.556 8.079 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.592 -13.060 6.479 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.506 -14.037 8.138 1.00 0.00 H new ATOM 985 N TRP A 69 -2.354 -8.156 1.912 1.00 0.00 N ATOM 986 CA TRP A 69 -2.733 -7.176 0.900 1.00 0.00 C ATOM 987 C TRP A 69 -3.755 -6.189 1.454 1.00 0.00 C ATOM 988 O TRP A 69 -4.383 -6.443 2.482 1.00 0.00 O ATOM 989 CB TRP A 69 -3.301 -7.879 -0.333 1.00 0.00 C ATOM 990 CG TRP A 69 -2.245 -8.448 -1.232 1.00 0.00 C ATOM 991 CD1 TRP A 69 -1.996 -9.769 -1.471 1.00 0.00 C ATOM 992 CD2 TRP A 69 -1.294 -7.712 -2.009 1.00 0.00 C ATOM 993 NE1 TRP A 69 -0.948 -9.899 -2.350 1.00 0.00 N ATOM 994 CE2 TRP A 69 -0.501 -8.652 -2.696 1.00 0.00 C ATOM 995 CE3 TRP A 69 -1.037 -6.351 -2.194 1.00 0.00 C ATOM 996 CZ2 TRP A 69 0.531 -8.271 -3.551 1.00 0.00 C ATOM 997 CZ3 TRP A 69 -0.013 -5.975 -3.042 1.00 0.00 C ATOM 998 CH2 TRP A 69 0.760 -6.932 -3.713 1.00 0.00 C ATOM 0 H TRP A 69 -3.113 -8.768 2.211 1.00 0.00 H new ATOM 0 HA TRP A 69 -1.839 -6.622 0.614 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -3.965 -8.681 -0.011 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.907 -7.171 -0.899 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.543 -10.591 -1.033 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.565 -10.781 -2.690 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.629 -5.606 -1.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.129 -9.007 -4.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.195 -4.926 -3.190 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.552 -6.606 -4.371 1.00 0.00 H new ATOM 1009 N ASP A 70 -3.916 -5.064 0.767 1.00 0.00 N ATOM 1010 CA ASP A 70 -4.863 -4.039 1.190 1.00 0.00 C ATOM 1011 C ASP A 70 -6.076 -4.004 0.264 1.00 0.00 C ATOM 1012 O ASP A 70 -6.015 -3.451 -0.834 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.186 -2.668 1.215 1.00 0.00 C ATOM 1014 CG ASP A 70 -4.969 -1.650 2.021 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -6.067 -1.256 1.574 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -4.485 -1.249 3.100 1.00 0.00 O ATOM 0 H ASP A 70 -3.403 -4.838 -0.085 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.203 -4.286 2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.185 -2.768 1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.068 -2.306 0.194 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.175 -4.600 0.714 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.400 -4.639 -0.074 1.00 0.00 C ATOM 1023 C ARG A 71 -9.467 -3.732 0.532 1.00 0.00 C ATOM 1024 O ARG A 71 -10.663 -3.973 0.376 1.00 0.00 O ATOM 1025 CB ARG A 71 -8.927 -6.073 -0.166 1.00 0.00 C ATOM 1026 CG ARG A 71 -7.965 -7.033 -0.847 1.00 0.00 C ATOM 1027 CD ARG A 71 -8.149 -7.028 -2.357 1.00 0.00 C ATOM 1028 NE ARG A 71 -7.512 -8.180 -2.990 1.00 0.00 N ATOM 1029 CZ ARG A 71 -7.141 -8.206 -4.265 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -7.342 -7.149 -5.039 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -6.568 -9.292 -4.768 1.00 0.00 N ATOM 0 H ARG A 71 -7.242 -5.063 1.621 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.168 -4.278 -1.076 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.141 -6.438 0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.871 -6.070 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.939 -6.756 -0.603 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.123 -8.041 -0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.213 -7.028 -2.592 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.731 -6.110 -2.770 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.343 -9.010 -2.422 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.783 -6.313 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.056 -7.172 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.412 -10.107 -4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.283 -9.311 -5.747 1.00 0.00 H new ATOM 1045 N GLY A 72 -9.023 -2.688 1.226 1.00 0.00 N ATOM 1046 CA GLY A 72 -9.952 -1.761 1.846 1.00 0.00 C ATOM 1047 C GLY A 72 -9.661 -1.547 3.319 1.00 0.00 C ATOM 1048 O GLY A 72 -8.683 -2.075 3.847 1.00 0.00 O ATOM 0 H GLY A 72 -8.037 -2.468 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.906 -0.804 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.968 -2.138 1.730 1.00 0.00 H new ATOM 1052 N GLN A 73 -10.511 -0.769 3.981 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.338 -0.485 5.401 1.00 0.00 C ATOM 1054 C GLN A 73 -10.959 -1.584 6.256 1.00 0.00 C ATOM 1055 O GLN A 73 -10.289 -2.185 7.095 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.964 0.866 5.752 1.00 0.00 C ATOM 1057 CG GLN A 73 -10.871 1.214 7.229 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.450 1.496 7.674 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -8.867 0.736 8.448 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -8.883 2.593 7.186 1.00 0.00 N ATOM 0 H GLN A 73 -11.326 -0.324 3.558 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.269 -0.448 5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.472 1.647 5.172 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.012 0.860 5.454 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.491 2.087 7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.276 0.391 7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.403 3.195 6.547 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.928 2.834 7.450 1.00 0.00 H new ATOM 1069 N GLY A 74 -12.245 -1.842 6.037 1.00 0.00 N ATOM 1070 CA GLY A 74 -12.935 -2.869 6.796 1.00 0.00 C ATOM 1071 C GLY A 74 -12.995 -4.193 6.060 1.00 0.00 C ATOM 1072 O GLY A 74 -13.673 -5.123 6.496 1.00 0.00 O ATOM 0 H GLY A 74 -12.821 -1.358 5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.430 -3.011 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.948 -2.534 7.017 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.284 -4.277 4.940 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.260 -5.497 4.142 1.00 0.00 C ATOM 1078 C ILE A 75 -11.189 -6.460 4.642 1.00 0.00 C ATOM 1079 O ILE A 75 -10.112 -6.042 5.064 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.005 -5.191 2.654 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.012 -4.158 2.143 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.083 -6.468 1.830 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.450 -4.615 2.245 1.00 0.00 C ATOM 0 H ILE A 75 -11.718 -3.516 4.565 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.240 -5.962 4.246 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.003 -4.775 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.892 -3.234 2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.786 -3.926 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.901 -6.236 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.331 -7.174 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.074 -6.910 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.108 -3.833 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.586 -5.522 1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.694 -4.820 3.288 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.493 -7.753 4.590 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.556 -8.777 5.037 1.00 0.00 C ATOM 1097 C ASN A 76 -9.341 -8.842 4.115 1.00 0.00 C ATOM 1098 O ASN A 76 -9.462 -8.991 2.899 1.00 0.00 O ATOM 1099 CB ASN A 76 -11.245 -10.142 5.088 1.00 0.00 C ATOM 1100 CG ASN A 76 -12.469 -10.138 5.984 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -12.555 -9.358 6.933 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -13.422 -11.013 5.687 1.00 0.00 N ATOM 0 H ASN A 76 -12.381 -8.116 4.243 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.217 -8.512 6.038 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.537 -10.437 4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.538 -10.890 5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.268 -11.058 6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.308 -11.640 4.891 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.143 -8.729 4.707 1.00 0.00 N ATOM 1110 CA PRO A 77 -6.883 -8.774 3.958 1.00 0.00 C ATOM 1111 C PRO A 77 -6.588 -10.163 3.403 1.00 0.00 C ATOM 1112 O PRO A 77 -7.164 -11.156 3.849 1.00 0.00 O ATOM 1113 CB PRO A 77 -5.836 -8.382 5.003 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.444 -8.758 6.310 1.00 0.00 C ATOM 1115 CD PRO A 77 -7.925 -8.550 6.152 1.00 0.00 C ATOM 0 HA PRO A 77 -6.902 -8.119 3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.896 -8.908 4.838 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.616 -7.315 4.961 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.220 -9.795 6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.047 -8.142 7.117 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.497 -9.271 6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.229 -7.557 6.484 1.00 0.00 H new ATOM 1123 N ASP A 78 -5.687 -10.227 2.429 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.314 -11.495 1.814 1.00 0.00 C ATOM 1125 C ASP A 78 -3.848 -11.819 2.085 1.00 0.00 C ATOM 1126 O ASP A 78 -2.970 -10.973 1.908 1.00 0.00 O ATOM 1127 CB ASP A 78 -5.569 -11.451 0.307 1.00 0.00 C ATOM 1128 CG ASP A 78 -5.864 -12.821 -0.271 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -6.984 -13.329 -0.052 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -4.976 -13.385 -0.942 1.00 0.00 O ATOM 0 H ASP A 78 -5.201 -9.415 2.048 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.929 -12.279 2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.408 -10.786 0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.698 -11.029 -0.194 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.589 -13.049 2.515 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.228 -13.486 2.811 1.00 0.00 C ATOM 1137 C LEU A 79 -1.428 -13.681 1.527 1.00 0.00 C ATOM 1138 O LEU A 79 -1.783 -14.501 0.680 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.253 -14.788 3.613 1.00 0.00 C ATOM 1140 CG LEU A 79 -0.927 -15.211 4.247 1.00 0.00 C ATOM 1141 CD1 LEU A 79 0.161 -15.314 3.190 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.522 -14.231 5.339 1.00 0.00 C ATOM 0 H LEU A 79 -4.303 -13.762 2.667 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.744 -12.710 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.996 -14.690 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.591 -15.590 2.956 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.059 -16.194 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.097 -15.616 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.126 -16.055 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.293 -14.345 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.424 -14.547 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.408 -13.235 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.292 -14.208 6.111 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.345 -12.924 1.391 1.00 0.00 N ATOM 1155 CA LEU A 80 0.509 -13.015 0.212 1.00 0.00 C ATOM 1156 C LEU A 80 0.935 -14.458 -0.042 1.00 0.00 C ATOM 1157 O LEU A 80 1.854 -14.966 0.599 1.00 0.00 O ATOM 1158 CB LEU A 80 1.744 -12.129 0.382 1.00 0.00 C ATOM 1159 CG LEU A 80 2.814 -12.253 -0.703 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.490 -11.344 -1.879 1.00 0.00 C ATOM 1161 CD2 LEU A 80 4.188 -11.926 -0.137 1.00 0.00 C ATOM 0 H LEU A 80 -0.037 -12.240 2.083 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.064 -12.668 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.418 -11.090 0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.202 -12.359 1.344 1.00 0.00 H new ATOM 0 HG LEU A 80 2.825 -13.283 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.263 -11.446 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.525 -11.625 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.450 -10.309 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.937 -12.019 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.190 -10.906 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.423 -12.618 0.672 1.00 0.00 H new ATOM 1173 N ASN A 81 0.263 -15.111 -0.984 1.00 0.00 N ATOM 1174 CA ASN A 81 0.573 -16.495 -1.324 1.00 0.00 C ATOM 1175 C ASN A 81 0.764 -16.655 -2.829 1.00 0.00 C ATOM 1176 O ASN A 81 0.396 -17.679 -3.405 1.00 0.00 O ATOM 1177 CB ASN A 81 -0.542 -17.424 -0.839 1.00 0.00 C ATOM 1178 CG ASN A 81 -0.030 -18.806 -0.485 1.00 0.00 C ATOM 1179 OD1 ASN A 81 0.846 -19.347 -1.159 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -0.576 -19.385 0.578 1.00 0.00 N ATOM 0 H ASN A 81 -0.500 -14.704 -1.526 1.00 0.00 H new ATOM 0 HA ASN A 81 1.504 -16.765 -0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.024 -16.984 0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.303 -17.509 -1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.272 -20.315 0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.300 -18.899 1.108 1.00 0.00 H new ATOM 1187 N GLN A 82 1.343 -15.638 -3.458 1.00 0.00 N ATOM 1188 CA GLN A 82 1.583 -15.666 -4.896 1.00 0.00 C ATOM 1189 C GLN A 82 2.964 -16.235 -5.206 1.00 0.00 C ATOM 1190 O GLN A 82 3.940 -15.982 -4.499 1.00 0.00 O ATOM 1191 CB GLN A 82 1.454 -14.260 -5.484 1.00 0.00 C ATOM 1192 CG GLN A 82 2.431 -13.259 -4.888 1.00 0.00 C ATOM 1193 CD GLN A 82 1.960 -11.826 -5.034 1.00 0.00 C ATOM 1194 OE1 GLN A 82 0.976 -11.418 -4.417 1.00 0.00 O ATOM 1195 NE2 GLN A 82 2.662 -11.052 -5.854 1.00 0.00 N ATOM 0 H GLN A 82 1.655 -14.784 -2.995 1.00 0.00 H new ATOM 0 HA GLN A 82 0.833 -16.312 -5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.610 -14.310 -6.562 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.437 -13.901 -5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.576 -13.484 -3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.400 -13.370 -5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.471 -11.432 -6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.392 -10.078 -5.992 1.00 0.00 H new ATOM 1204 N PRO A 83 3.051 -17.023 -6.288 1.00 0.00 N ATOM 1205 CA PRO A 83 4.307 -17.644 -6.716 1.00 0.00 C ATOM 1206 C PRO A 83 5.303 -16.624 -7.259 1.00 0.00 C ATOM 1207 O PRO A 83 6.515 -16.794 -7.124 1.00 0.00 O ATOM 1208 CB PRO A 83 3.869 -18.605 -7.825 1.00 0.00 C ATOM 1209 CG PRO A 83 2.602 -18.023 -8.351 1.00 0.00 C ATOM 1210 CD PRO A 83 1.928 -17.368 -7.177 1.00 0.00 C ATOM 0 HA PRO A 83 4.822 -18.132 -5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.625 -18.679 -8.606 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.712 -19.612 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.804 -17.298 -9.140 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.967 -18.796 -8.784 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.367 -16.483 -7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.223 -18.042 -6.691 1.00 0.00 H new ATOM 1218 N ILE A 84 4.784 -15.566 -7.872 1.00 0.00 N ATOM 1219 CA ILE A 84 5.628 -14.519 -8.433 1.00 0.00 C ATOM 1220 C ILE A 84 5.665 -13.296 -7.523 1.00 0.00 C ATOM 1221 O ILE A 84 4.624 -12.785 -7.107 1.00 0.00 O ATOM 1222 CB ILE A 84 5.140 -14.090 -9.830 1.00 0.00 C ATOM 1223 CG1 ILE A 84 5.163 -15.282 -10.789 1.00 0.00 C ATOM 1224 CG2 ILE A 84 5.999 -12.955 -10.366 1.00 0.00 C ATOM 1225 CD1 ILE A 84 4.610 -14.963 -12.161 1.00 0.00 C ATOM 0 H ILE A 84 3.783 -15.411 -7.993 1.00 0.00 H new ATOM 0 HA ILE A 84 6.631 -14.936 -8.519 1.00 0.00 H new ATOM 0 HB ILE A 84 4.113 -13.734 -9.747 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.189 -15.635 -10.893 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.587 -16.099 -10.355 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.642 -12.663 -11.354 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.937 -12.102 -9.691 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.035 -13.286 -10.438 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.657 -15.853 -12.788 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.574 -14.638 -12.069 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.201 -14.167 -12.615 1.00 0.00 H new ATOM 1237 N THR A 85 6.871 -12.829 -7.217 1.00 0.00 N ATOM 1238 CA THR A 85 7.044 -11.665 -6.356 1.00 0.00 C ATOM 1239 C THR A 85 8.023 -10.669 -6.969 1.00 0.00 C ATOM 1240 O THR A 85 8.690 -10.969 -7.959 1.00 0.00 O ATOM 1241 CB THR A 85 7.550 -12.071 -4.959 1.00 0.00 C ATOM 1242 OG1 THR A 85 8.786 -12.784 -5.073 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.524 -12.935 -4.242 1.00 0.00 C ATOM 0 H THR A 85 7.743 -13.239 -7.552 1.00 0.00 H new ATOM 0 HA THR A 85 6.065 -11.195 -6.258 1.00 0.00 H new ATOM 0 HB THR A 85 7.708 -11.163 -4.376 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.101 -13.037 -4.180 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.904 -13.209 -3.258 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.594 -12.378 -4.130 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.338 -13.838 -4.824 1.00 0.00 H new ATOM 1251 N TYR A 86 8.103 -9.485 -6.373 1.00 0.00 N ATOM 1252 CA TYR A 86 8.999 -8.443 -6.862 1.00 0.00 C ATOM 1253 C TYR A 86 9.955 -7.988 -5.764 1.00 0.00 C ATOM 1254 O TYR A 86 10.646 -6.979 -5.906 1.00 0.00 O ATOM 1255 CB TYR A 86 8.194 -7.250 -7.380 1.00 0.00 C ATOM 1256 CG TYR A 86 7.178 -7.619 -8.437 1.00 0.00 C ATOM 1257 CD1 TYR A 86 7.576 -7.936 -9.731 1.00 0.00 C ATOM 1258 CD2 TYR A 86 5.821 -7.649 -8.144 1.00 0.00 C ATOM 1259 CE1 TYR A 86 6.651 -8.272 -10.700 1.00 0.00 C ATOM 1260 CE2 TYR A 86 4.889 -7.986 -9.106 1.00 0.00 C ATOM 1261 CZ TYR A 86 5.309 -8.297 -10.383 1.00 0.00 C ATOM 1262 OH TYR A 86 4.383 -8.631 -11.345 1.00 0.00 O ATOM 0 H TYR A 86 7.559 -9.222 -5.551 1.00 0.00 H new ATOM 0 HA TYR A 86 9.586 -8.859 -7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.680 -6.778 -6.543 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.881 -6.510 -7.791 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.626 -7.919 -9.983 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.488 -7.404 -7.146 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.977 -8.514 -11.701 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.838 -8.006 -8.860 1.00 0.00 H new ATOM 0 HH TYR A 86 3.483 -8.602 -10.957 1.00 0.00 H new ATOM 1272 N TRP A 87 9.989 -8.739 -4.669 1.00 0.00 N ATOM 1273 CA TRP A 87 10.861 -8.414 -3.546 1.00 0.00 C ATOM 1274 C TRP A 87 12.216 -7.914 -4.035 1.00 0.00 C ATOM 1275 O TRP A 87 12.795 -8.475 -4.965 1.00 0.00 O ATOM 1276 CB TRP A 87 11.048 -9.638 -2.648 1.00 0.00 C ATOM 1277 CG TRP A 87 9.852 -9.938 -1.796 1.00 0.00 C ATOM 1278 CD1 TRP A 87 9.149 -11.108 -1.752 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.219 -9.052 -0.866 1.00 0.00 C ATOM 1280 NE1 TRP A 87 8.117 -11.003 -0.851 1.00 0.00 N ATOM 1281 CE2 TRP A 87 8.139 -9.752 -0.293 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.461 -7.737 -0.459 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 7.304 -9.179 0.662 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.631 -7.169 0.488 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.563 -7.890 1.041 1.00 0.00 C ATOM 0 H TRP A 87 9.423 -9.577 -4.535 1.00 0.00 H new ATOM 0 HA TRP A 87 10.388 -7.619 -2.970 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.269 -10.506 -3.270 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.913 -9.479 -2.004 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.372 -11.987 -2.339 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.444 -11.737 -0.633 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.283 -7.175 -0.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.481 -9.732 1.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.808 -6.153 0.808 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.933 -7.419 1.780 1.00 0.00 H new ATOM 1296 N ALA A 88 12.716 -6.858 -3.402 1.00 0.00 N ATOM 1297 CA ALA A 88 14.004 -6.285 -3.772 1.00 0.00 C ATOM 1298 C ALA A 88 15.154 -7.151 -3.269 1.00 0.00 C ATOM 1299 O ALA A 88 14.936 -8.204 -2.672 1.00 0.00 O ATOM 1300 CB ALA A 88 14.129 -4.870 -3.228 1.00 0.00 C ATOM 0 H ALA A 88 12.249 -6.382 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 88 14.059 -6.249 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.096 -4.455 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.333 -4.250 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.048 -4.890 -2.141 1.00 0.00 H new ATOM 1306 N ASN A 89 16.380 -6.699 -3.515 1.00 0.00 N ATOM 1307 CA ASN A 89 17.565 -7.434 -3.088 1.00 0.00 C ATOM 1308 C ASN A 89 17.572 -7.621 -1.573 1.00 0.00 C ATOM 1309 O ASN A 89 17.604 -6.651 -0.818 1.00 0.00 O ATOM 1310 CB ASN A 89 18.833 -6.699 -3.528 1.00 0.00 C ATOM 1311 CG ASN A 89 19.315 -7.146 -4.895 1.00 0.00 C ATOM 1312 OD1 ASN A 89 19.300 -6.373 -5.853 1.00 0.00 O ATOM 1313 ND2 ASN A 89 19.746 -8.398 -4.990 1.00 0.00 N ATOM 0 H ASN A 89 16.578 -5.828 -4.007 1.00 0.00 H new ATOM 0 HA ASN A 89 17.541 -8.417 -3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.640 -5.626 -3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.621 -6.869 -2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 89 20.083 -8.755 -5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 89 19.740 -9.003 -4.169 1.00 0.00 H new ATOM 1320 N GLY A 90 17.544 -8.877 -1.138 1.00 0.00 N ATOM 1321 CA GLY A 90 17.548 -9.169 0.284 1.00 0.00 C ATOM 1322 C GLY A 90 16.185 -8.979 0.919 1.00 0.00 C ATOM 1323 O GLY A 90 16.021 -9.177 2.122 1.00 0.00 O ATOM 0 H GLY A 90 17.519 -9.697 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.878 -10.196 0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.271 -8.523 0.782 1.00 0.00 H new ATOM 1327 N GLU A 91 15.205 -8.591 0.109 1.00 0.00 N ATOM 1328 CA GLU A 91 13.850 -8.372 0.600 1.00 0.00 C ATOM 1329 C GLU A 91 13.065 -9.680 0.635 1.00 0.00 C ATOM 1330 O GLU A 91 13.332 -10.614 -0.121 1.00 0.00 O ATOM 1331 CB GLU A 91 13.123 -7.351 -0.279 1.00 0.00 C ATOM 1332 CG GLU A 91 13.687 -5.944 -0.171 1.00 0.00 C ATOM 1333 CD GLU A 91 13.672 -5.417 1.251 1.00 0.00 C ATOM 1334 OE1 GLU A 91 12.572 -5.112 1.758 1.00 0.00 O ATOM 1335 OE2 GLU A 91 14.758 -5.310 1.856 1.00 0.00 O ATOM 0 H GLU A 91 15.324 -8.422 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 91 13.918 -7.983 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.176 -7.676 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.068 -7.333 -0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.710 -5.937 -0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.109 -5.275 -0.809 1.00 0.00 H new ATOM 1342 N PRO A 92 12.072 -9.750 1.534 1.00 0.00 N ATOM 1343 CA PRO A 92 11.745 -8.645 2.440 1.00 0.00 C ATOM 1344 C PRO A 92 12.820 -8.425 3.498 1.00 0.00 C ATOM 1345 O PRO A 92 13.439 -9.376 3.975 1.00 0.00 O ATOM 1346 CB PRO A 92 10.436 -9.097 3.092 1.00 0.00 C ATOM 1347 CG PRO A 92 10.465 -10.584 3.010 1.00 0.00 C ATOM 1348 CD PRO A 92 11.193 -10.914 1.736 1.00 0.00 C ATOM 0 HA PRO A 92 11.668 -7.694 1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.372 -8.759 4.126 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.571 -8.689 2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.975 -11.013 3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.455 -10.994 3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.764 -11.838 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.504 -11.047 0.902 1.00 0.00 H new ATOM 1356 N SER A 93 13.037 -7.165 3.863 1.00 0.00 N ATOM 1357 CA SER A 93 14.040 -6.821 4.863 1.00 0.00 C ATOM 1358 C SER A 93 13.782 -7.565 6.169 1.00 0.00 C ATOM 1359 O SER A 93 12.640 -7.701 6.604 1.00 0.00 O ATOM 1360 CB SER A 93 14.042 -5.312 5.115 1.00 0.00 C ATOM 1361 OG SER A 93 15.217 -4.910 5.798 1.00 0.00 O ATOM 0 H SER A 93 12.531 -6.366 3.481 1.00 0.00 H new ATOM 0 HA SER A 93 15.016 -7.120 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.970 -4.782 4.165 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.165 -5.037 5.701 1.00 0.00 H new ATOM 0 HG SER A 93 15.536 -4.061 5.427 1.00 0.00 H new ATOM 1367 N ASN A 94 14.854 -8.046 6.790 1.00 0.00 N ATOM 1368 CA ASN A 94 14.746 -8.778 8.047 1.00 0.00 C ATOM 1369 C ASN A 94 14.753 -7.822 9.236 1.00 0.00 C ATOM 1370 O ASN A 94 15.131 -8.198 10.346 1.00 0.00 O ATOM 1371 CB ASN A 94 15.894 -9.781 8.178 1.00 0.00 C ATOM 1372 CG ASN A 94 15.847 -10.546 9.487 1.00 0.00 C ATOM 1373 OD1 ASN A 94 16.541 -10.202 10.444 1.00 0.00 O ATOM 1374 ND2 ASN A 94 15.026 -11.589 9.534 1.00 0.00 N ATOM 0 H ASN A 94 15.808 -7.942 6.443 1.00 0.00 H new ATOM 0 HA ASN A 94 13.799 -9.318 8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.854 -10.485 7.347 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.845 -9.253 8.103 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.952 -12.142 10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.470 -11.837 8.716 1.00 0.00 H new ATOM 1381 N ASP A 95 14.334 -6.585 8.996 1.00 0.00 N ATOM 1382 CA ASP A 95 14.290 -5.574 10.046 1.00 0.00 C ATOM 1383 C ASP A 95 12.942 -5.591 10.761 1.00 0.00 C ATOM 1384 O ASP A 95 11.882 -5.648 10.137 1.00 0.00 O ATOM 1385 CB ASP A 95 14.553 -4.186 9.460 1.00 0.00 C ATOM 1386 CG ASP A 95 15.039 -3.199 10.503 1.00 0.00 C ATOM 1387 OD1 ASP A 95 14.260 -2.882 11.426 1.00 0.00 O ATOM 1388 OD2 ASP A 95 16.197 -2.744 10.396 1.00 0.00 O ATOM 0 H ASP A 95 14.020 -6.258 8.083 1.00 0.00 H new ATOM 0 HA ASP A 95 15.069 -5.806 10.772 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.295 -4.265 8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.638 -3.808 9.005 1.00 0.00 H new ATOM 1393 N PRO A 96 12.982 -5.541 12.100 1.00 0.00 N ATOM 1394 CA PRO A 96 11.772 -5.549 12.929 1.00 0.00 C ATOM 1395 C PRO A 96 10.976 -4.254 12.806 1.00 0.00 C ATOM 1396 O PRO A 96 9.784 -4.214 13.112 1.00 0.00 O ATOM 1397 CB PRO A 96 12.317 -5.709 14.350 1.00 0.00 C ATOM 1398 CG PRO A 96 13.700 -5.159 14.290 1.00 0.00 C ATOM 1399 CD PRO A 96 14.210 -5.471 12.910 1.00 0.00 C ATOM 0 HA PRO A 96 11.080 -6.337 12.632 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.706 -5.166 15.072 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.320 -6.755 14.657 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.701 -4.084 14.473 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.334 -5.612 15.052 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.887 -4.697 12.547 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.760 -6.412 12.888 1.00 0.00 H new ATOM 1407 N THR A 97 11.642 -3.196 12.355 1.00 0.00 N ATOM 1408 CA THR A 97 10.997 -1.899 12.192 1.00 0.00 C ATOM 1409 C THR A 97 10.212 -1.836 10.887 1.00 0.00 C ATOM 1410 O THR A 97 9.064 -1.390 10.863 1.00 0.00 O ATOM 1411 CB THR A 97 12.026 -0.753 12.215 1.00 0.00 C ATOM 1412 OG1 THR A 97 12.906 -0.862 11.091 1.00 0.00 O ATOM 1413 CG2 THR A 97 12.835 -0.778 13.503 1.00 0.00 C ATOM 0 H THR A 97 12.628 -3.212 12.096 1.00 0.00 H new ATOM 0 HA THR A 97 10.312 -1.779 13.031 1.00 0.00 H new ATOM 0 HB THR A 97 11.485 0.192 12.162 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.715 -1.349 11.355 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.555 0.040 13.496 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.165 -0.665 14.356 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.365 -1.727 13.581 1.00 0.00 H new ATOM 1421 N ARG A 98 10.837 -2.285 9.803 1.00 0.00 N ATOM 1422 CA ARG A 98 10.196 -2.279 8.494 1.00 0.00 C ATOM 1423 C ARG A 98 9.167 -3.400 8.387 1.00 0.00 C ATOM 1424 O ARG A 98 9.522 -4.577 8.333 1.00 0.00 O ATOM 1425 CB ARG A 98 11.243 -2.426 7.389 1.00 0.00 C ATOM 1426 CG ARG A 98 12.480 -1.568 7.604 1.00 0.00 C ATOM 1427 CD ARG A 98 13.601 -1.960 6.655 1.00 0.00 C ATOM 1428 NE ARG A 98 13.461 -1.323 5.348 1.00 0.00 N ATOM 1429 CZ ARG A 98 14.469 -1.157 4.499 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.685 -1.580 4.818 1.00 0.00 N ATOM 1431 NH2 ARG A 98 14.262 -0.567 3.329 1.00 0.00 N ATOM 0 H ARG A 98 11.787 -2.657 9.806 1.00 0.00 H new ATOM 0 HA ARG A 98 9.682 -1.325 8.374 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.544 -3.472 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.790 -2.162 6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.226 -0.518 7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.821 -1.671 8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.560 -1.682 7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.609 -3.043 6.531 1.00 0.00 H new ATOM 0 HE ARG A 98 12.538 -0.987 5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.848 -2.034 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.457 -1.451 4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.328 -0.240 3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.037 -0.440 2.678 1.00 0.00 H new ATOM 1445 N GLN A 99 7.892 -3.026 8.357 1.00 0.00 N ATOM 1446 CA GLN A 99 6.812 -4.001 8.258 1.00 0.00 C ATOM 1447 C GLN A 99 5.984 -3.770 6.998 1.00 0.00 C ATOM 1448 O GLN A 99 5.434 -4.709 6.423 1.00 0.00 O ATOM 1449 CB GLN A 99 5.914 -3.927 9.494 1.00 0.00 C ATOM 1450 CG GLN A 99 6.668 -3.609 10.775 1.00 0.00 C ATOM 1451 CD GLN A 99 5.904 -4.017 12.019 1.00 0.00 C ATOM 1452 OE1 GLN A 99 4.815 -3.509 12.287 1.00 0.00 O ATOM 1453 NE2 GLN A 99 6.471 -4.940 12.787 1.00 0.00 N ATOM 0 H GLN A 99 7.582 -2.055 8.400 1.00 0.00 H new ATOM 0 HA GLN A 99 7.257 -4.994 8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.150 -3.166 9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.396 -4.878 9.614 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.631 -4.119 10.761 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.874 -2.539 10.815 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.375 -5.335 12.527 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.003 -5.254 13.637 1.00 0.00 H new ATOM 1462 N CYS A 100 5.898 -2.513 6.576 1.00 0.00 N ATOM 1463 CA CYS A 100 5.136 -2.156 5.385 1.00 0.00 C ATOM 1464 C CYS A 100 6.036 -2.121 4.153 1.00 0.00 C ATOM 1465 O CYS A 100 7.250 -1.952 4.263 1.00 0.00 O ATOM 1466 CB CYS A 100 4.459 -0.797 5.575 1.00 0.00 C ATOM 1467 SG CYS A 100 3.284 -0.740 6.965 1.00 0.00 S ATOM 0 H CYS A 100 6.347 -1.724 7.041 1.00 0.00 H new ATOM 0 HA CYS A 100 4.371 -2.917 5.232 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.227 -0.039 5.731 1.00 0.00 H new ATOM 0 HB3 CYS A 100 3.933 -0.534 4.657 1.00 0.00 H new ATOM 1472 N VAL A 101 5.431 -2.282 2.980 1.00 0.00 N ATOM 1473 CA VAL A 101 6.177 -2.267 1.728 1.00 0.00 C ATOM 1474 C VAL A 101 5.764 -1.086 0.856 1.00 0.00 C ATOM 1475 O VAL A 101 4.589 -0.725 0.798 1.00 0.00 O ATOM 1476 CB VAL A 101 5.970 -3.572 0.936 1.00 0.00 C ATOM 1477 CG1 VAL A 101 6.840 -3.584 -0.312 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.266 -4.779 1.813 1.00 0.00 C ATOM 0 H VAL A 101 4.427 -2.424 2.871 1.00 0.00 H new ATOM 0 HA VAL A 101 7.231 -2.172 1.989 1.00 0.00 H new ATOM 0 HB VAL A 101 4.927 -3.625 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.680 -4.514 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.576 -2.739 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.889 -3.508 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.115 -5.692 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.299 -4.734 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.596 -4.777 2.673 1.00 0.00 H new ATOM 1488 N TYR A 102 6.738 -0.489 0.179 1.00 0.00 N ATOM 1489 CA TYR A 102 6.477 0.653 -0.689 1.00 0.00 C ATOM 1490 C TYR A 102 7.116 0.454 -2.059 1.00 0.00 C ATOM 1491 O TYR A 102 8.279 0.063 -2.164 1.00 0.00 O ATOM 1492 CB TYR A 102 7.006 1.938 -0.049 1.00 0.00 C ATOM 1493 CG TYR A 102 8.506 2.096 -0.158 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.097 2.498 -1.350 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.332 1.842 0.929 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.466 2.643 -1.455 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.703 1.985 0.834 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.265 2.386 -0.360 1.00 0.00 C ATOM 1499 OH TYR A 102 12.630 2.529 -0.459 1.00 0.00 O ATOM 0 H TYR A 102 7.716 -0.777 0.214 1.00 0.00 H new ATOM 0 HA TYR A 102 5.398 0.737 -0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.524 2.794 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.723 1.953 1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.475 2.700 -2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 102 8.895 1.527 1.865 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.909 2.956 -2.389 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.331 1.784 1.690 1.00 0.00 H new ATOM 0 HH TYR A 102 12.911 2.354 -1.381 1.00 0.00 H new ATOM 1509 N PHE A 103 6.348 0.725 -3.109 1.00 0.00 N ATOM 1510 CA PHE A 103 6.837 0.576 -4.474 1.00 0.00 C ATOM 1511 C PHE A 103 8.015 1.510 -4.735 1.00 0.00 C ATOM 1512 O PHE A 103 7.859 2.731 -4.759 1.00 0.00 O ATOM 1513 CB PHE A 103 5.715 0.860 -5.475 1.00 0.00 C ATOM 1514 CG PHE A 103 5.967 0.281 -6.838 1.00 0.00 C ATOM 1515 CD1 PHE A 103 6.660 1.005 -7.795 1.00 0.00 C ATOM 1516 CD2 PHE A 103 5.510 -0.986 -7.162 1.00 0.00 C ATOM 1517 CE1 PHE A 103 6.894 0.475 -9.050 1.00 0.00 C ATOM 1518 CE2 PHE A 103 5.741 -1.521 -8.416 1.00 0.00 C ATOM 1519 CZ PHE A 103 6.433 -0.789 -9.361 1.00 0.00 C ATOM 0 H PHE A 103 5.383 1.049 -3.040 1.00 0.00 H new ATOM 0 HA PHE A 103 7.176 -0.452 -4.601 1.00 0.00 H new ATOM 0 HB2 PHE A 103 4.780 0.457 -5.085 1.00 0.00 H new ATOM 0 HB3 PHE A 103 5.584 1.938 -5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.021 1.995 -7.558 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.967 -1.562 -6.427 1.00 0.00 H new ATOM 0 HE1 PHE A 103 7.437 1.049 -9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.381 -2.510 -8.656 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.613 -1.204 -10.341 1.00 0.00 H new ATOM 1529 N ASP A 104 9.193 0.927 -4.929 1.00 0.00 N ATOM 1530 CA ASP A 104 10.398 1.707 -5.188 1.00 0.00 C ATOM 1531 C ASP A 104 10.586 1.934 -6.685 1.00 0.00 C ATOM 1532 O ASP A 104 11.094 1.068 -7.396 1.00 0.00 O ATOM 1533 CB ASP A 104 11.624 0.998 -4.610 1.00 0.00 C ATOM 1534 CG ASP A 104 12.820 1.921 -4.483 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.154 2.600 -5.477 1.00 0.00 O ATOM 1536 OD2 ASP A 104 13.422 1.965 -3.390 1.00 0.00 O ATOM 0 H ASP A 104 9.339 -0.082 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 104 10.286 2.676 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.376 0.592 -3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.886 0.154 -5.248 1.00 0.00 H new ATOM 1541 N GLY A 105 10.172 3.106 -7.157 1.00 0.00 N ATOM 1542 CA GLY A 105 10.302 3.426 -8.567 1.00 0.00 C ATOM 1543 C GLY A 105 11.746 3.622 -8.986 1.00 0.00 C ATOM 1544 O GLY A 105 12.148 3.197 -10.069 1.00 0.00 O ATOM 0 H GLY A 105 9.749 3.840 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.860 2.626 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.737 4.333 -8.784 1.00 0.00 H new ATOM 1602 N LYS A 110 12.718 -3.197 -12.014 1.00 0.00 N ATOM 1603 CA LYS A 110 11.290 -3.209 -11.720 1.00 0.00 C ATOM 1604 C LYS A 110 10.914 -4.438 -10.899 1.00 0.00 C ATOM 1605 O LYS A 110 9.978 -4.401 -10.101 1.00 0.00 O ATOM 1606 CB LYS A 110 10.481 -3.183 -13.019 1.00 0.00 C ATOM 1607 CG LYS A 110 10.829 -4.311 -13.975 1.00 0.00 C ATOM 1608 CD LYS A 110 9.738 -4.520 -15.011 1.00 0.00 C ATOM 1609 CE LYS A 110 8.587 -5.343 -14.451 1.00 0.00 C ATOM 1610 NZ LYS A 110 8.790 -6.802 -14.670 1.00 0.00 N ATOM 0 HA LYS A 110 11.057 -2.319 -11.136 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.420 -3.237 -12.777 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.645 -2.229 -13.520 1.00 0.00 H new ATOM 0 HG2 LYS A 110 11.770 -4.087 -14.477 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.979 -5.233 -13.413 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.365 -3.553 -15.348 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.155 -5.022 -15.884 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.486 -5.147 -13.384 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.655 -5.031 -14.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.985 -7.328 -14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.861 -6.993 -15.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.666 -7.105 -14.199 1.00 0.00 H new ATOM 1624 N SER A 111 11.651 -5.526 -11.100 1.00 0.00 N ATOM 1625 CA SER A 111 11.393 -6.768 -10.380 1.00 0.00 C ATOM 1626 C SER A 111 11.896 -6.676 -8.942 1.00 0.00 C ATOM 1627 O SER A 111 11.626 -7.553 -8.120 1.00 0.00 O ATOM 1628 CB SER A 111 12.062 -7.944 -11.092 1.00 0.00 C ATOM 1629 OG SER A 111 13.469 -7.909 -10.924 1.00 0.00 O ATOM 0 H SER A 111 12.431 -5.573 -11.755 1.00 0.00 H new ATOM 0 HA SER A 111 10.315 -6.931 -10.360 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.669 -8.882 -10.699 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.819 -7.916 -12.154 1.00 0.00 H new ATOM 0 HG SER A 111 13.873 -8.672 -11.387 1.00 0.00 H new ATOM 1635 N LYS A 112 12.629 -5.609 -8.645 1.00 0.00 N ATOM 1636 CA LYS A 112 13.170 -5.400 -7.308 1.00 0.00 C ATOM 1637 C LYS A 112 12.679 -4.080 -6.722 1.00 0.00 C ATOM 1638 O LYS A 112 13.405 -3.402 -5.995 1.00 0.00 O ATOM 1639 CB LYS A 112 14.700 -5.414 -7.346 1.00 0.00 C ATOM 1640 CG LYS A 112 15.280 -6.651 -8.011 1.00 0.00 C ATOM 1641 CD LYS A 112 16.609 -7.046 -7.389 1.00 0.00 C ATOM 1642 CE LYS A 112 16.416 -7.996 -6.217 1.00 0.00 C ATOM 1643 NZ LYS A 112 15.851 -9.304 -6.651 1.00 0.00 N ATOM 0 H LYS A 112 12.862 -4.875 -9.313 1.00 0.00 H new ATOM 0 HA LYS A 112 12.820 -6.213 -6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.050 -4.528 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.081 -5.347 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.575 -7.478 -7.922 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.417 -6.463 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.238 -7.520 -8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.134 -6.152 -7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.373 -8.160 -5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.751 -7.538 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.116 -10.041 -5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.815 -9.235 -6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.227 -9.551 -7.589 1.00 0.00 H new ATOM 1657 N VAL A 113 11.439 -3.721 -7.042 1.00 0.00 N ATOM 1658 CA VAL A 113 10.850 -2.483 -6.546 1.00 0.00 C ATOM 1659 C VAL A 113 10.217 -2.687 -5.174 1.00 0.00 C ATOM 1660 O VAL A 113 10.008 -1.731 -4.427 1.00 0.00 O ATOM 1661 CB VAL A 113 9.782 -1.942 -7.515 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.382 -1.706 -8.893 1.00 0.00 C ATOM 1663 CG2 VAL A 113 8.602 -2.897 -7.595 1.00 0.00 C ATOM 0 H VAL A 113 10.824 -4.270 -7.642 1.00 0.00 H new ATOM 0 HA VAL A 113 11.659 -1.757 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 113 9.421 -0.987 -7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.613 -1.324 -9.564 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.191 -0.980 -8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 113 10.772 -2.645 -9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.857 -2.498 -8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.944 -3.868 -7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.158 -3.010 -6.606 1.00 0.00 H new ATOM 1673 N TRP A 114 9.916 -3.939 -4.848 1.00 0.00 N ATOM 1674 CA TRP A 114 9.307 -4.269 -3.564 1.00 0.00 C ATOM 1675 C TRP A 114 10.302 -4.077 -2.425 1.00 0.00 C ATOM 1676 O TRP A 114 11.119 -4.955 -2.145 1.00 0.00 O ATOM 1677 CB TRP A 114 8.797 -5.711 -3.574 1.00 0.00 C ATOM 1678 CG TRP A 114 7.409 -5.846 -4.122 1.00 0.00 C ATOM 1679 CD1 TRP A 114 6.712 -4.908 -4.829 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.549 -6.985 -4.006 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.470 -5.396 -5.159 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.346 -6.668 -4.667 1.00 0.00 C ATOM 1683 CE3 TRP A 114 6.679 -8.243 -3.411 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.282 -7.563 -4.746 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.622 -9.130 -3.490 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.437 -8.787 -4.154 1.00 0.00 C ATOM 0 H TRP A 114 10.083 -4.742 -5.454 1.00 0.00 H new ATOM 0 HA TRP A 114 8.466 -3.595 -3.405 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.475 -6.325 -4.167 1.00 0.00 H new ATOM 0 HB3 TRP A 114 8.818 -6.103 -2.557 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.082 -3.928 -5.090 1.00 0.00 H new ATOM 0 HE1 TRP A 114 4.756 -4.892 -5.685 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.589 -8.517 -2.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.367 -7.300 -5.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.711 -10.104 -3.032 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.630 -9.503 -4.200 1.00 0.00 H new ATOM 1697 N THR A 115 10.229 -2.923 -1.769 1.00 0.00 N ATOM 1698 CA THR A 115 11.123 -2.615 -0.661 1.00 0.00 C ATOM 1699 C THR A 115 10.340 -2.323 0.614 1.00 0.00 C ATOM 1700 O THR A 115 9.371 -1.562 0.599 1.00 0.00 O ATOM 1701 CB THR A 115 12.024 -1.408 -0.984 1.00 0.00 C ATOM 1702 OG1 THR A 115 12.784 -1.667 -2.170 1.00 0.00 O ATOM 1703 CG2 THR A 115 12.966 -1.110 0.173 1.00 0.00 C ATOM 0 H THR A 115 9.559 -2.186 -1.987 1.00 0.00 H new ATOM 0 HA THR A 115 11.748 -3.495 -0.507 1.00 0.00 H new ATOM 0 HB THR A 115 11.385 -0.539 -1.145 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.353 -0.894 -2.369 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.592 -0.254 -0.079 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.384 -0.884 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.597 -1.978 0.361 1.00 0.00 H new ATOM 1711 N THR A 116 10.764 -2.931 1.717 1.00 0.00 N ATOM 1712 CA THR A 116 10.102 -2.737 3.000 1.00 0.00 C ATOM 1713 C THR A 116 10.560 -1.444 3.665 1.00 0.00 C ATOM 1714 O THR A 116 11.598 -0.886 3.310 1.00 0.00 O ATOM 1715 CB THR A 116 10.370 -3.915 3.955 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.777 -4.043 4.192 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.828 -5.214 3.378 1.00 0.00 C ATOM 0 H THR A 116 11.564 -3.563 1.747 1.00 0.00 H new ATOM 0 HA THR A 116 9.032 -2.680 2.798 1.00 0.00 H new ATOM 0 HB THR A 116 9.860 -3.714 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.216 -4.375 3.382 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.029 -6.032 4.070 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.752 -5.124 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.313 -5.419 2.424 1.00 0.00 H new ATOM 1725 N ASP A 117 9.780 -0.973 4.632 1.00 0.00 N ATOM 1726 CA ASP A 117 10.107 0.254 5.348 1.00 0.00 C ATOM 1727 C ASP A 117 9.143 0.479 6.509 1.00 0.00 C ATOM 1728 O ASP A 117 8.079 -0.138 6.576 1.00 0.00 O ATOM 1729 CB ASP A 117 10.069 1.451 4.397 1.00 0.00 C ATOM 1730 CG ASP A 117 11.029 2.550 4.809 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.255 2.336 4.707 1.00 0.00 O ATOM 1732 OD2 ASP A 117 10.554 3.624 5.233 1.00 0.00 O ATOM 0 H ASP A 117 8.917 -1.423 4.938 1.00 0.00 H new ATOM 0 HA ASP A 117 11.115 0.153 5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.314 1.118 3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.056 1.852 4.363 1.00 0.00 H new ATOM 1737 N THR A 118 9.522 1.367 7.423 1.00 0.00 N ATOM 1738 CA THR A 118 8.693 1.673 8.582 1.00 0.00 C ATOM 1739 C THR A 118 7.344 2.242 8.158 1.00 0.00 C ATOM 1740 O THR A 118 7.252 2.986 7.181 1.00 0.00 O ATOM 1741 CB THR A 118 9.388 2.676 9.522 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.537 2.977 10.633 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.737 3.958 8.782 1.00 0.00 C ATOM 0 H THR A 118 10.398 1.887 7.383 1.00 0.00 H new ATOM 0 HA THR A 118 8.538 0.735 9.115 1.00 0.00 H new ATOM 0 HB THR A 118 10.310 2.222 9.884 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.987 3.614 11.227 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.227 4.651 9.466 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.409 3.729 7.955 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.826 4.414 8.394 1.00 0.00 H new ATOM 1751 N CYS A 119 6.299 1.889 8.899 1.00 0.00 N ATOM 1752 CA CYS A 119 4.953 2.365 8.600 1.00 0.00 C ATOM 1753 C CYS A 119 4.700 3.723 9.250 1.00 0.00 C ATOM 1754 O CYS A 119 3.563 4.064 9.574 1.00 0.00 O ATOM 1755 CB CYS A 119 3.913 1.354 9.084 1.00 0.00 C ATOM 1756 SG CYS A 119 4.296 -0.373 8.649 1.00 0.00 S ATOM 0 H CYS A 119 6.358 1.275 9.711 1.00 0.00 H new ATOM 0 HA CYS A 119 4.865 2.477 7.519 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.822 1.433 10.167 1.00 0.00 H new ATOM 0 HB3 CYS A 119 2.943 1.617 8.663 1.00 0.00 H new ATOM 1761 N ALA A 120 5.768 4.492 9.436 1.00 0.00 N ATOM 1762 CA ALA A 120 5.661 5.812 10.044 1.00 0.00 C ATOM 1763 C ALA A 120 6.276 6.881 9.147 1.00 0.00 C ATOM 1764 O ALA A 120 6.077 8.077 9.361 1.00 0.00 O ATOM 1765 CB ALA A 120 6.330 5.819 11.411 1.00 0.00 C ATOM 0 H ALA A 120 6.717 4.223 9.174 1.00 0.00 H new ATOM 0 HA ALA A 120 4.603 6.043 10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.243 6.811 11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 120 5.844 5.089 12.058 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.384 5.562 11.302 1.00 0.00 H new ATOM 1771 N THR A 121 7.027 6.443 8.141 1.00 0.00 N ATOM 1772 CA THR A 121 7.673 7.362 7.212 1.00 0.00 C ATOM 1773 C THR A 121 6.659 7.980 6.256 1.00 0.00 C ATOM 1774 O THR A 121 5.910 7.283 5.572 1.00 0.00 O ATOM 1775 CB THR A 121 8.769 6.655 6.394 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.808 6.191 7.263 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.356 7.594 5.350 1.00 0.00 C ATOM 0 H THR A 121 7.203 5.457 7.949 1.00 0.00 H new ATOM 0 HA THR A 121 8.129 8.150 7.812 1.00 0.00 H new ATOM 0 HB THR A 121 8.317 5.805 5.883 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.500 5.741 6.735 1.00 0.00 H new ATOM 0 HG21 THR A 121 10.128 7.072 4.785 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.568 7.922 4.672 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.792 8.461 5.845 1.00 0.00 H new ATOM 1785 N PRO A 122 6.634 9.320 6.205 1.00 0.00 N ATOM 1786 CA PRO A 122 5.717 10.061 5.334 1.00 0.00 C ATOM 1787 C PRO A 122 6.072 9.914 3.859 1.00 0.00 C ATOM 1788 O PRO A 122 7.053 10.488 3.386 1.00 0.00 O ATOM 1789 CB PRO A 122 5.896 11.513 5.785 1.00 0.00 C ATOM 1790 CG PRO A 122 7.266 11.562 6.368 1.00 0.00 C ATOM 1791 CD PRO A 122 7.499 10.214 6.993 1.00 0.00 C ATOM 0 HA PRO A 122 4.693 9.697 5.417 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.797 12.203 4.947 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.142 11.795 6.520 1.00 0.00 H new ATOM 0 HG2 PRO A 122 8.010 11.769 5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.346 12.356 7.111 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.546 9.918 6.931 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.228 10.208 8.049 1.00 0.00 H new ATOM 1799 N ARG A 123 5.268 9.141 3.135 1.00 0.00 N ATOM 1800 CA ARG A 123 5.499 8.918 1.713 1.00 0.00 C ATOM 1801 C ARG A 123 4.181 8.911 0.943 1.00 0.00 C ATOM 1802 O ARG A 123 3.103 8.739 1.512 1.00 0.00 O ATOM 1803 CB ARG A 123 6.236 7.596 1.496 1.00 0.00 C ATOM 1804 CG ARG A 123 7.750 7.733 1.504 1.00 0.00 C ATOM 1805 CD ARG A 123 8.428 6.448 1.057 1.00 0.00 C ATOM 1806 NE ARG A 123 9.794 6.345 1.564 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.844 6.896 0.965 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.686 7.586 -0.156 1.00 0.00 N ATOM 1809 NH2 ARG A 123 12.055 6.758 1.489 1.00 0.00 N ATOM 0 H ARG A 123 4.451 8.659 3.510 1.00 0.00 H new ATOM 0 HA ARG A 123 6.115 9.735 1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.939 6.893 2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.924 7.168 0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 123 8.046 8.550 0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.087 7.994 2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.848 5.593 1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.441 6.405 -0.032 1.00 0.00 H new ATOM 0 HE ARG A 123 9.950 5.821 2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.756 7.695 -0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.494 8.008 -0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.180 6.229 2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.861 7.181 1.029 1.00 0.00 H new ATOM 1823 N PRO A 124 4.269 9.104 -0.381 1.00 0.00 N ATOM 1824 CA PRO A 124 3.094 9.124 -1.257 1.00 0.00 C ATOM 1825 C PRO A 124 2.454 7.748 -1.401 1.00 0.00 C ATOM 1826 O PRO A 124 3.045 6.735 -1.026 1.00 0.00 O ATOM 1827 CB PRO A 124 3.660 9.593 -2.600 1.00 0.00 C ATOM 1828 CG PRO A 124 5.096 9.199 -2.563 1.00 0.00 C ATOM 1829 CD PRO A 124 5.521 9.316 -1.126 1.00 0.00 C ATOM 0 HA PRO A 124 2.305 9.765 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.141 9.122 -3.435 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.548 10.670 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.231 8.181 -2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.695 9.848 -3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.273 8.571 -0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.954 10.293 -0.914 1.00 0.00 H new ATOM 1837 N PHE A 125 1.242 7.717 -1.946 1.00 0.00 N ATOM 1838 CA PHE A 125 0.521 6.464 -2.138 1.00 0.00 C ATOM 1839 C PHE A 125 -0.436 6.564 -3.323 1.00 0.00 C ATOM 1840 O PHE A 125 -0.570 7.621 -3.939 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.254 6.097 -0.871 1.00 0.00 C ATOM 1842 CG PHE A 125 -0.971 7.261 -0.249 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.262 8.286 0.355 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.355 7.329 -0.270 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -0.921 9.358 0.929 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.019 8.399 0.302 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.300 9.415 0.901 1.00 0.00 C ATOM 0 H PHE A 125 0.739 8.546 -2.263 1.00 0.00 H new ATOM 0 HA PHE A 125 1.251 5.682 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.979 5.320 -1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.437 5.674 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.817 8.248 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -2.921 6.538 -0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.357 10.150 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.098 8.440 0.280 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.816 10.253 1.347 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.098 5.455 -3.635 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.042 5.417 -4.745 1.00 0.00 C ATOM 1859 C ILE A 126 -3.300 4.639 -4.370 1.00 0.00 C ATOM 1860 O ILE A 126 -3.241 3.673 -3.609 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.413 4.780 -5.998 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.236 5.625 -6.490 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.457 4.627 -7.094 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.415 5.083 -7.743 1.00 0.00 C ATOM 0 H ILE A 126 -0.998 4.571 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.309 6.450 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.040 3.790 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.583 6.641 -6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.512 5.687 -5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -1.998 4.175 -7.973 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.266 3.989 -6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -2.856 5.607 -7.356 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.241 5.732 -8.034 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.793 4.079 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.319 5.047 -8.548 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.436 5.066 -4.910 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.708 4.410 -4.635 1.00 0.00 C ATOM 1878 C CYS A 127 -6.211 3.660 -5.865 1.00 0.00 C ATOM 1879 O CYS A 127 -5.739 3.887 -6.978 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.750 5.438 -4.190 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.047 6.892 -3.346 1.00 0.00 S ATOM 0 H CYS A 127 -4.502 5.864 -5.541 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.551 3.690 -3.832 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -7.310 5.773 -5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.462 4.952 -3.522 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.172 2.766 -5.654 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.738 1.982 -6.746 1.00 0.00 C ATOM 1888 C GLN A 128 -9.207 1.666 -6.483 1.00 0.00 C ATOM 1889 O GLN A 128 -9.637 1.572 -5.334 1.00 0.00 O ATOM 1890 CB GLN A 128 -6.950 0.685 -6.933 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.478 -0.191 -8.057 1.00 0.00 C ATOM 1892 CD GLN A 128 -6.954 -1.612 -7.986 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -5.811 -1.845 -7.589 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -7.788 -2.571 -8.370 1.00 0.00 N ATOM 0 H GLN A 128 -7.575 2.567 -4.738 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.670 2.574 -7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -5.907 0.929 -7.133 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.972 0.119 -6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.567 -0.207 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.199 0.247 -9.015 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.726 -2.332 -8.692 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -7.491 -3.546 -8.343 1.00 0.00 H new