USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 943 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 8 LYS NZ :NH3+ -143:sc= -0.0288 (180deg=0) USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 50 ASN : amide:sc= -4.98! C(o=-5!,f=-7.2!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.000614 X(o=-0.00061,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.00099) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0867 K(o=-0.087,f=-2) USER MOD Single : A 42 GLN : amide:sc= -0.0522 X(o=-0.052,f=-0.35) USER MOD Single : A 44 MET CE :methyl -171:sc= -0.509 (180deg=-0.687) USER MOD Single : A 45 LYS NZ :NH3+ -117:sc= 0.134 (180deg=-0.163) USER MOD Single : A 47 MET CE :methyl 156:sc= -6.37! (180deg=-7.62!) USER MOD Single : A 49 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.15) USER MOD Single : A 52 HIS : no HE2:sc= -15.7! C(o=-16!,f=-22!) USER MOD Single : A 53 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-0.69) USER MOD Single : A 57 SER OG : rot 180:sc= -0.554! USER MOD Single : A 60 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.31!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.1) USER MOD Single : A 76 ASN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 79 THR OG1 : rot 150:sc= -1.35 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 76:sc= -0.501! USER MOD Single : A 90 GLN : amide:sc=-0.000861 X(o=-0.00086,f=-0.076) USER MOD Single : A 97 GLN : amide:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc=-0.00308 X(o=-0.0031,f=-0.0069) USER MOD Single : A 106 ASN : amide:sc= -2.71! C(o=-2.7!,f=-10!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 171:sc= 0 (180deg=-0.127) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ILE A 7 -3.131 -9.514 -10.273 1.00 0.00 N ATOM 96 CA ILE A 7 -3.038 -8.168 -9.735 1.00 0.00 C ATOM 97 C ILE A 7 -4.156 -7.953 -8.712 1.00 0.00 C ATOM 98 O ILE A 7 -5.312 -8.280 -8.974 1.00 0.00 O ATOM 99 CB ILE A 7 -3.033 -7.138 -10.867 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.184 -7.620 -12.044 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.583 -5.766 -10.358 1.00 0.00 C ATOM 102 CD1 ILE A 7 -3.056 -8.273 -13.118 1.00 0.00 C ATOM 0 HA ILE A 7 -2.094 -8.033 -9.208 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.054 -7.027 -11.232 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.641 -6.778 -12.474 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.439 -8.334 -11.692 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.588 -5.053 -11.182 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.265 -5.425 -9.579 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.575 -5.842 -9.950 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.427 -8.607 -13.944 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.579 -9.129 -12.691 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.784 -7.549 -13.486 1.00 0.00 H new ATOM 114 N LYS A 8 -3.772 -7.402 -7.570 1.00 0.00 N ATOM 115 CA LYS A 8 -4.727 -7.140 -6.507 1.00 0.00 C ATOM 116 C LYS A 8 -4.238 -5.957 -5.669 1.00 0.00 C ATOM 117 O LYS A 8 -3.069 -5.899 -5.293 1.00 0.00 O ATOM 118 CB LYS A 8 -4.982 -8.408 -5.691 1.00 0.00 C ATOM 119 CG LYS A 8 -6.411 -8.914 -5.896 1.00 0.00 C ATOM 120 CD LYS A 8 -7.423 -7.990 -5.214 1.00 0.00 C ATOM 121 CE LYS A 8 -7.718 -8.458 -3.788 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.987 -9.219 -3.744 1.00 0.00 N ATOM 0 H LYS A 8 -2.812 -7.130 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.694 -6.858 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.273 -9.182 -5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.813 -8.204 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.630 -8.975 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.505 -9.922 -5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.035 -6.972 -5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.347 -7.967 -5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.900 -9.082 -3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.780 -7.597 -3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.491 -9.003 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.580 -8.952 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.782 -10.238 -3.785 1.00 0.00 H new ATOM 136 N VAL A 9 -5.160 -5.043 -5.401 1.00 0.00 N ATOM 137 CA VAL A 9 -4.837 -3.863 -4.615 1.00 0.00 C ATOM 138 C VAL A 9 -5.746 -3.813 -3.384 1.00 0.00 C ATOM 139 O VAL A 9 -6.955 -4.006 -3.494 1.00 0.00 O ATOM 140 CB VAL A 9 -4.939 -2.609 -5.485 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.551 -2.116 -5.899 1.00 0.00 C ATOM 142 CG2 VAL A 9 -5.819 -2.863 -6.710 1.00 0.00 C ATOM 0 H VAL A 9 -6.129 -5.095 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.808 -3.911 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.410 -1.825 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.651 -1.224 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.969 -1.878 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.043 -2.895 -6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.875 -1.956 -7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.389 -3.668 -7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.821 -3.146 -6.386 1.00 0.00 H new ATOM 152 N LEU A 10 -5.127 -3.553 -2.241 1.00 0.00 N ATOM 153 CA LEU A 10 -5.864 -3.475 -0.993 1.00 0.00 C ATOM 154 C LEU A 10 -5.829 -2.036 -0.474 1.00 0.00 C ATOM 155 O LEU A 10 -4.758 -1.495 -0.206 1.00 0.00 O ATOM 156 CB LEU A 10 -5.333 -4.502 0.009 1.00 0.00 C ATOM 157 CG LEU A 10 -5.260 -4.043 1.467 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.024 -3.174 1.707 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.550 -3.332 1.882 1.00 0.00 C ATOM 0 H LEU A 10 -4.123 -3.394 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.911 -3.732 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.965 -5.389 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.334 -4.805 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.160 -4.925 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.996 -2.861 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.126 -3.747 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.068 -2.294 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.473 -3.016 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.704 -2.459 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.393 -4.014 1.772 1.00 0.00 H new ATOM 171 N ILE A 11 -7.015 -1.458 -0.348 1.00 0.00 N ATOM 172 CA ILE A 11 -7.134 -0.092 0.134 1.00 0.00 C ATOM 173 C ILE A 11 -7.850 -0.093 1.485 1.00 0.00 C ATOM 174 O ILE A 11 -9.076 0.002 1.542 1.00 0.00 O ATOM 175 CB ILE A 11 -7.807 0.792 -0.919 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.104 0.154 -1.421 1.00 0.00 C ATOM 177 CG2 ILE A 11 -6.844 1.109 -2.065 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.837 -0.769 -2.611 1.00 0.00 C ATOM 0 H ILE A 11 -7.901 -1.910 -0.571 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.147 0.342 0.296 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.073 1.739 -0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.571 -0.412 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.808 0.934 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.347 1.738 -2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.973 1.634 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.525 0.181 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.776 -1.209 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.393 -0.195 -3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.152 -1.562 -2.310 1.00 0.00 H new ATOM 190 N VAL A 12 -7.057 -0.199 2.541 1.00 0.00 N ATOM 191 CA VAL A 12 -7.600 -0.214 3.888 1.00 0.00 C ATOM 192 C VAL A 12 -6.911 0.868 4.723 1.00 0.00 C ATOM 193 O VAL A 12 -5.699 1.050 4.629 1.00 0.00 O ATOM 194 CB VAL A 12 -7.465 -1.612 4.492 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.036 -1.865 4.976 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.472 -1.821 5.625 1.00 0.00 C ATOM 0 H VAL A 12 -6.041 -0.275 2.490 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.665 0.016 3.873 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.687 -2.337 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.968 -2.866 5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.347 -1.780 4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.774 -1.129 5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.354 -2.823 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.296 -1.084 6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.484 -1.705 5.238 1.00 0.00 H new ATOM 206 N ASP A 13 -7.714 1.555 5.521 1.00 0.00 N ATOM 207 CA ASP A 13 -7.196 2.613 6.372 1.00 0.00 C ATOM 208 C ASP A 13 -8.025 2.680 7.657 1.00 0.00 C ATOM 209 O ASP A 13 -9.057 2.021 7.768 1.00 0.00 O ATOM 210 CB ASP A 13 -7.289 3.974 5.678 1.00 0.00 C ATOM 211 CG ASP A 13 -6.714 4.018 4.262 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.071 3.114 3.475 1.00 0.00 O ATOM 213 OD2 ASP A 13 -5.929 4.954 3.996 1.00 0.00 O ATOM 0 H ASP A 13 -8.719 1.400 5.597 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.151 2.390 6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.336 4.274 5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.769 4.712 6.288 1.00 0.00 H new ATOM 218 N ASP A 14 -7.541 3.481 8.594 1.00 0.00 N ATOM 219 CA ASP A 14 -8.224 3.643 9.866 1.00 0.00 C ATOM 220 C ASP A 14 -9.426 4.572 9.681 1.00 0.00 C ATOM 221 O ASP A 14 -10.246 4.719 10.585 1.00 0.00 O ATOM 222 CB ASP A 14 -7.299 4.269 10.912 1.00 0.00 C ATOM 223 CG ASP A 14 -7.482 3.739 12.336 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.652 3.664 12.769 1.00 0.00 O ATOM 225 OD2 ASP A 14 -6.445 3.422 12.960 1.00 0.00 O ATOM 0 H ASP A 14 -6.684 4.025 8.498 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.539 2.657 10.207 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.266 4.102 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.459 5.347 10.918 1.00 0.00 H new ATOM 230 N GLN A 15 -9.492 5.173 8.502 1.00 0.00 N ATOM 231 CA GLN A 15 -10.580 6.083 8.187 1.00 0.00 C ATOM 232 C GLN A 15 -10.859 6.075 6.683 1.00 0.00 C ATOM 233 O GLN A 15 -9.933 6.135 5.875 1.00 0.00 O ATOM 234 CB GLN A 15 -10.271 7.499 8.679 1.00 0.00 C ATOM 235 CG GLN A 15 -11.531 8.180 9.214 1.00 0.00 C ATOM 236 CD GLN A 15 -11.229 8.966 10.493 1.00 0.00 C ATOM 237 OE1 GLN A 15 -10.928 10.147 10.469 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.327 8.245 11.606 1.00 0.00 N ATOM 0 H GLN A 15 -8.810 5.048 7.754 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.476 5.741 8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.514 7.459 9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.853 8.088 7.863 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.935 8.852 8.457 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.296 7.430 9.416 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.584 7.259 11.554 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.145 8.678 12.512 1.00 0.00 H new ATOM 247 N VAL A 16 -12.140 6.001 6.351 1.00 0.00 N ATOM 248 CA VAL A 16 -12.552 5.983 4.958 1.00 0.00 C ATOM 249 C VAL A 16 -11.889 7.149 4.219 1.00 0.00 C ATOM 250 O VAL A 16 -11.257 6.951 3.184 1.00 0.00 O ATOM 251 CB VAL A 16 -14.080 6.009 4.865 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.650 4.589 4.840 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.686 6.824 6.008 1.00 0.00 C ATOM 0 H VAL A 16 -12.906 5.953 7.023 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.224 5.063 4.474 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.351 6.496 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.737 4.634 4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.256 4.054 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.364 4.066 5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.772 6.826 5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.402 6.380 6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.316 7.848 5.960 1.00 0.00 H new ATOM 263 N THR A 17 -12.056 8.335 4.783 1.00 0.00 N ATOM 264 CA THR A 17 -11.481 9.531 4.191 1.00 0.00 C ATOM 265 C THR A 17 -10.085 9.236 3.641 1.00 0.00 C ATOM 266 O THR A 17 -9.800 9.517 2.477 1.00 0.00 O ATOM 267 CB THR A 17 -11.495 10.637 5.249 1.00 0.00 C ATOM 268 OG1 THR A 17 -10.697 10.115 6.308 1.00 0.00 O ATOM 269 CG2 THR A 17 -12.876 10.824 5.881 1.00 0.00 C ATOM 0 H THR A 17 -12.581 8.494 5.643 1.00 0.00 H new ATOM 0 HA THR A 17 -12.068 9.870 3.337 1.00 0.00 H new ATOM 0 HB THR A 17 -11.172 11.575 4.798 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.651 10.769 7.036 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.831 11.620 6.624 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.597 11.090 5.108 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.185 9.896 6.362 1.00 0.00 H new ATOM 277 N SER A 18 -9.251 8.673 4.502 1.00 0.00 N ATOM 278 CA SER A 18 -7.891 8.337 4.117 1.00 0.00 C ATOM 279 C SER A 18 -7.907 7.262 3.029 1.00 0.00 C ATOM 280 O SER A 18 -7.284 7.426 1.979 1.00 0.00 O ATOM 281 CB SER A 18 -7.079 7.858 5.322 1.00 0.00 C ATOM 282 OG SER A 18 -6.834 8.910 6.253 1.00 0.00 O ATOM 0 H SER A 18 -9.491 8.441 5.466 1.00 0.00 H new ATOM 0 HA SER A 18 -7.415 9.236 3.726 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.613 7.049 5.821 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.129 7.448 4.979 1.00 0.00 H new ATOM 0 HG SER A 18 -6.315 8.564 7.009 1.00 0.00 H new ATOM 288 N ARG A 19 -8.625 6.186 3.313 1.00 0.00 N ATOM 289 CA ARG A 19 -8.730 5.084 2.371 1.00 0.00 C ATOM 290 C ARG A 19 -9.447 5.541 1.099 1.00 0.00 C ATOM 291 O ARG A 19 -8.825 5.679 0.047 1.00 0.00 O ATOM 292 CB ARG A 19 -9.490 3.906 2.983 1.00 0.00 C ATOM 293 CG ARG A 19 -9.313 2.643 2.139 1.00 0.00 C ATOM 294 CD ARG A 19 -10.304 2.618 0.974 1.00 0.00 C ATOM 295 NE ARG A 19 -11.684 2.458 1.485 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.677 1.874 0.801 1.00 0.00 C ATOM 297 NH1 ARG A 19 -12.448 1.389 -0.427 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.897 1.774 1.344 1.00 0.00 N ATOM 0 H ARG A 19 -9.141 6.053 4.183 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.719 4.759 2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.132 3.724 3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.549 4.152 3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.294 2.598 1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.458 1.761 2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.225 3.541 0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.061 1.799 0.297 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.892 2.815 2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.518 1.465 -0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.203 0.944 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.071 2.143 2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.652 1.329 0.823 1.00 0.00 H new ATOM 312 N LEU A 20 -10.746 5.762 1.237 1.00 0.00 N ATOM 313 CA LEU A 20 -11.555 6.200 0.112 1.00 0.00 C ATOM 314 C LEU A 20 -10.761 7.211 -0.717 1.00 0.00 C ATOM 315 O LEU A 20 -10.928 7.289 -1.934 1.00 0.00 O ATOM 316 CB LEU A 20 -12.906 6.729 0.598 1.00 0.00 C ATOM 317 CG LEU A 20 -13.205 8.195 0.281 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.604 8.586 0.763 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.124 9.112 0.856 1.00 0.00 C ATOM 0 H LEU A 20 -11.259 5.646 2.111 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.785 5.360 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.693 6.115 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -12.960 6.593 1.678 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.191 8.320 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.791 9.633 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.347 7.963 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.671 8.441 1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.361 10.149 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.082 8.990 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.158 8.851 0.424 1.00 0.00 H new ATOM 331 N LEU A 21 -9.913 7.961 -0.027 1.00 0.00 N ATOM 332 CA LEU A 21 -9.094 8.964 -0.686 1.00 0.00 C ATOM 333 C LEU A 21 -8.078 8.270 -1.594 1.00 0.00 C ATOM 334 O LEU A 21 -7.964 8.602 -2.773 1.00 0.00 O ATOM 335 CB LEU A 21 -8.459 9.898 0.346 1.00 0.00 C ATOM 336 CG LEU A 21 -9.278 11.133 0.727 1.00 0.00 C ATOM 337 CD1 LEU A 21 -8.794 11.724 2.052 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.268 12.167 -0.400 1.00 0.00 C ATOM 0 H LEU A 21 -9.776 7.894 0.981 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.709 9.600 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.260 9.325 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.495 10.230 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.314 10.825 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.393 12.601 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.897 10.980 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.747 12.014 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.857 13.034 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.242 12.477 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.697 11.728 -1.301 1.00 0.00 H new ATOM 350 N LEU A 22 -7.365 7.317 -1.012 1.00 0.00 N ATOM 351 CA LEU A 22 -6.361 6.572 -1.754 1.00 0.00 C ATOM 352 C LEU A 22 -7.056 5.660 -2.767 1.00 0.00 C ATOM 353 O LEU A 22 -6.641 5.581 -3.922 1.00 0.00 O ATOM 354 CB LEU A 22 -5.429 5.829 -0.796 1.00 0.00 C ATOM 355 CG LEU A 22 -6.105 4.905 0.218 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.696 3.673 -0.471 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.141 4.525 1.343 1.00 0.00 C ATOM 0 H LEU A 22 -7.463 7.043 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.723 7.251 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.730 5.237 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.840 6.566 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.933 5.447 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.171 3.033 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.438 3.987 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.901 3.120 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.648 3.868 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.277 4.010 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.810 5.426 1.859 1.00 0.00 H new ATOM 369 N GLY A 23 -8.102 4.996 -2.298 1.00 0.00 N ATOM 370 CA GLY A 23 -8.858 4.093 -3.149 1.00 0.00 C ATOM 371 C GLY A 23 -9.380 4.819 -4.391 1.00 0.00 C ATOM 372 O GLY A 23 -9.506 4.218 -5.458 1.00 0.00 O ATOM 0 H GLY A 23 -8.444 5.065 -1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.226 3.257 -3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.695 3.675 -2.589 1.00 0.00 H new ATOM 376 N ASP A 24 -9.671 6.098 -4.211 1.00 0.00 N ATOM 377 CA ASP A 24 -10.177 6.912 -5.303 1.00 0.00 C ATOM 378 C ASP A 24 -9.026 7.258 -6.251 1.00 0.00 C ATOM 379 O ASP A 24 -9.161 7.139 -7.467 1.00 0.00 O ATOM 380 CB ASP A 24 -10.772 8.222 -4.785 1.00 0.00 C ATOM 381 CG ASP A 24 -12.287 8.202 -4.567 1.00 0.00 C ATOM 382 OD1 ASP A 24 -12.882 7.132 -4.818 1.00 0.00 O ATOM 383 OD2 ASP A 24 -12.814 9.258 -4.155 1.00 0.00 O ATOM 0 H ASP A 24 -9.566 6.592 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.952 6.343 -5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.288 8.476 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.532 9.017 -5.491 1.00 0.00 H new ATOM 388 N ALA A 25 -7.920 7.680 -5.657 1.00 0.00 N ATOM 389 CA ALA A 25 -6.746 8.046 -6.433 1.00 0.00 C ATOM 390 C ALA A 25 -6.162 6.792 -7.086 1.00 0.00 C ATOM 391 O ALA A 25 -5.870 6.790 -8.281 1.00 0.00 O ATOM 392 CB ALA A 25 -5.737 8.756 -5.528 1.00 0.00 C ATOM 0 H ALA A 25 -7.811 7.777 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.013 8.740 -7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.857 9.030 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.191 9.655 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.443 8.089 -4.718 1.00 0.00 H new ATOM 398 N LEU A 26 -6.011 5.756 -6.275 1.00 0.00 N ATOM 399 CA LEU A 26 -5.467 4.499 -6.759 1.00 0.00 C ATOM 400 C LEU A 26 -6.305 4.007 -7.940 1.00 0.00 C ATOM 401 O LEU A 26 -5.769 3.722 -9.011 1.00 0.00 O ATOM 402 CB LEU A 26 -5.361 3.485 -5.618 1.00 0.00 C ATOM 403 CG LEU A 26 -4.110 3.591 -4.742 1.00 0.00 C ATOM 404 CD1 LEU A 26 -2.865 3.849 -5.592 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.291 4.649 -3.653 1.00 0.00 C ATOM 0 H LEU A 26 -6.256 5.761 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.450 4.641 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.238 3.593 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.398 2.483 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.963 2.635 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.991 3.920 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.729 3.029 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.987 4.783 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.388 4.704 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.477 5.619 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.138 4.380 -3.021 1.00 0.00 H new ATOM 417 N GLN A 27 -7.607 3.923 -7.708 1.00 0.00 N ATOM 418 CA GLN A 27 -8.525 3.472 -8.740 1.00 0.00 C ATOM 419 C GLN A 27 -8.434 4.382 -9.967 1.00 0.00 C ATOM 420 O GLN A 27 -8.595 3.924 -11.097 1.00 0.00 O ATOM 421 CB GLN A 27 -9.958 3.409 -8.210 1.00 0.00 C ATOM 422 CG GLN A 27 -10.558 4.810 -8.080 1.00 0.00 C ATOM 423 CD GLN A 27 -12.077 4.744 -7.912 1.00 0.00 C ATOM 424 OE1 GLN A 27 -12.605 4.009 -7.095 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.747 5.552 -8.729 1.00 0.00 N ATOM 0 H GLN A 27 -8.048 4.160 -6.819 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.238 2.464 -9.038 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.571 2.808 -8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.969 2.914 -7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.116 5.320 -7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.312 5.398 -8.964 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.242 6.142 -9.390 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.766 5.582 -8.694 1.00 0.00 H new ATOM 434 N GLN A 28 -8.174 5.654 -9.702 1.00 0.00 N ATOM 435 CA GLN A 28 -8.060 6.633 -10.771 1.00 0.00 C ATOM 436 C GLN A 28 -6.698 6.511 -11.457 1.00 0.00 C ATOM 437 O GLN A 28 -6.483 7.086 -12.522 1.00 0.00 O ATOM 438 CB GLN A 28 -8.283 8.050 -10.241 1.00 0.00 C ATOM 439 CG GLN A 28 -8.700 8.996 -11.369 1.00 0.00 C ATOM 440 CD GLN A 28 -7.866 10.279 -11.345 1.00 0.00 C ATOM 441 OE1 GLN A 28 -6.653 10.264 -11.478 1.00 0.00 O ATOM 442 NE2 GLN A 28 -8.582 11.387 -11.170 1.00 0.00 N ATOM 0 H GLN A 28 -8.039 6.030 -8.763 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.836 6.431 -11.509 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.052 8.037 -9.469 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.369 8.416 -9.774 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.579 8.497 -12.330 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.757 9.243 -11.269 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.595 11.328 -11.065 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.118 12.295 -11.141 1.00 0.00 H new ATOM 451 N LEU A 29 -5.813 5.759 -10.819 1.00 0.00 N ATOM 452 CA LEU A 29 -4.479 5.555 -11.354 1.00 0.00 C ATOM 453 C LEU A 29 -4.533 4.497 -12.458 1.00 0.00 C ATOM 454 O LEU A 29 -4.013 4.708 -13.552 1.00 0.00 O ATOM 455 CB LEU A 29 -3.495 5.223 -10.230 1.00 0.00 C ATOM 456 CG LEU A 29 -3.149 3.742 -10.059 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.167 3.280 -11.138 1.00 0.00 C ATOM 458 CD2 LEU A 29 -2.623 3.462 -8.649 1.00 0.00 C ATOM 0 H LEU A 29 -5.995 5.283 -9.935 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.107 6.473 -11.810 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.571 5.774 -10.408 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.909 5.590 -9.291 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.063 3.161 -10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.938 2.224 -10.993 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.614 3.423 -12.122 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.249 3.863 -11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.384 2.403 -8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.725 4.054 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.385 3.730 -7.917 1.00 0.00 H new ATOM 470 N GLY A 30 -5.167 3.380 -12.131 1.00 0.00 N ATOM 471 CA GLY A 30 -5.295 2.288 -13.081 1.00 0.00 C ATOM 472 C GLY A 30 -5.038 0.939 -12.405 1.00 0.00 C ATOM 473 O GLY A 30 -4.256 0.131 -12.902 1.00 0.00 O ATOM 0 H GLY A 30 -5.597 3.208 -11.222 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.294 2.296 -13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.589 2.429 -13.900 1.00 0.00 H new ATOM 477 N PHE A 31 -5.711 0.740 -11.281 1.00 0.00 N ATOM 478 CA PHE A 31 -5.565 -0.496 -10.531 1.00 0.00 C ATOM 479 C PHE A 31 -6.328 -1.639 -11.204 1.00 0.00 C ATOM 480 O PHE A 31 -7.241 -1.400 -11.993 1.00 0.00 O ATOM 481 CB PHE A 31 -6.157 -0.249 -9.142 1.00 0.00 C ATOM 482 CG PHE A 31 -5.121 0.126 -8.081 1.00 0.00 C ATOM 483 CD1 PHE A 31 -3.864 0.487 -8.456 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.457 0.097 -6.763 1.00 0.00 C ATOM 485 CE1 PHE A 31 -2.903 0.835 -7.471 1.00 0.00 C ATOM 486 CE2 PHE A 31 -4.495 0.445 -5.778 1.00 0.00 C ATOM 487 CZ PHE A 31 -3.238 0.807 -6.153 1.00 0.00 C ATOM 0 H PHE A 31 -6.358 1.414 -10.872 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.514 -0.779 -10.480 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.897 0.549 -9.210 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.685 -1.146 -8.819 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.598 0.509 -9.502 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.455 -0.191 -6.466 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.905 1.122 -7.768 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.761 0.422 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.506 1.072 -5.404 1.00 0.00 H new ATOM 497 N LYS A 32 -5.928 -2.855 -10.865 1.00 0.00 N ATOM 498 CA LYS A 32 -6.564 -4.035 -11.426 1.00 0.00 C ATOM 499 C LYS A 32 -7.851 -4.330 -10.655 1.00 0.00 C ATOM 500 O LYS A 32 -8.944 -4.270 -11.219 1.00 0.00 O ATOM 501 CB LYS A 32 -5.582 -5.209 -11.456 1.00 0.00 C ATOM 502 CG LYS A 32 -4.828 -5.259 -12.787 1.00 0.00 C ATOM 503 CD LYS A 32 -5.594 -6.085 -13.821 1.00 0.00 C ATOM 504 CE LYS A 32 -4.771 -6.265 -15.098 1.00 0.00 C ATOM 505 NZ LYS A 32 -5.627 -6.103 -16.294 1.00 0.00 N ATOM 0 H LYS A 32 -5.171 -3.049 -10.209 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.847 -3.859 -12.464 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.872 -5.115 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.122 -6.144 -11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.679 -4.247 -13.163 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.839 -5.690 -12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.840 -7.061 -13.402 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.537 -5.593 -14.058 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.961 -5.536 -15.122 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.310 -7.253 -15.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.052 -6.228 -17.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.385 -6.815 -16.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.046 -5.151 -16.294 1.00 0.00 H new ATOM 519 N GLN A 33 -7.682 -4.644 -9.379 1.00 0.00 N ATOM 520 CA GLN A 33 -8.817 -4.949 -8.526 1.00 0.00 C ATOM 521 C GLN A 33 -8.652 -4.277 -7.162 1.00 0.00 C ATOM 522 O GLN A 33 -7.793 -4.670 -6.373 1.00 0.00 O ATOM 523 CB GLN A 33 -9.000 -6.460 -8.375 1.00 0.00 C ATOM 524 CG GLN A 33 -10.462 -6.859 -8.585 1.00 0.00 C ATOM 525 CD GLN A 33 -11.319 -6.455 -7.383 1.00 0.00 C ATOM 526 OE1 GLN A 33 -11.558 -5.287 -7.124 1.00 0.00 O ATOM 527 NE2 GLN A 33 -11.764 -7.482 -6.665 1.00 0.00 N ATOM 0 H GLN A 33 -6.775 -4.694 -8.915 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.717 -4.553 -8.997 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.370 -6.980 -9.097 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.673 -6.772 -7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.847 -6.383 -9.487 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.530 -7.936 -8.739 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.527 -8.436 -6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.343 -7.316 -5.842 1.00 0.00 H new ATOM 536 N ILE A 34 -9.487 -3.276 -6.924 1.00 0.00 N ATOM 537 CA ILE A 34 -9.442 -2.546 -5.669 1.00 0.00 C ATOM 538 C ILE A 34 -10.216 -3.326 -4.603 1.00 0.00 C ATOM 539 O ILE A 34 -11.332 -3.783 -4.850 1.00 0.00 O ATOM 540 CB ILE A 34 -9.940 -1.113 -5.864 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.768 -0.137 -5.981 1.00 0.00 C ATOM 542 CG2 ILE A 34 -10.910 -0.713 -4.751 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.207 1.290 -5.648 1.00 0.00 C ATOM 0 H ILE A 34 -10.199 -2.954 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.414 -2.456 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.492 -1.068 -6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.968 -0.442 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.362 -0.170 -6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.249 0.310 -4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.768 -1.385 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.405 -0.779 -3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.355 1.963 -5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.990 1.600 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.589 1.324 -4.628 1.00 0.00 H new ATOM 555 N THR A 35 -9.593 -3.456 -3.442 1.00 0.00 N ATOM 556 CA THR A 35 -10.209 -4.173 -2.338 1.00 0.00 C ATOM 557 C THR A 35 -9.984 -3.424 -1.023 1.00 0.00 C ATOM 558 O THR A 35 -8.853 -3.311 -0.554 1.00 0.00 O ATOM 559 CB THR A 35 -9.649 -5.597 -2.328 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.793 -6.418 -2.106 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.756 -5.867 -1.116 1.00 0.00 C ATOM 0 H THR A 35 -8.668 -3.077 -3.241 1.00 0.00 H new ATOM 0 HA THR A 35 -11.290 -4.233 -2.461 1.00 0.00 H new ATOM 0 HB THR A 35 -9.081 -5.770 -3.242 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.521 -7.359 -2.087 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.385 -6.891 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.913 -5.176 -1.124 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.332 -5.727 -0.201 1.00 0.00 H new ATOM 569 N ALA A 36 -11.081 -2.930 -0.466 1.00 0.00 N ATOM 570 CA ALA A 36 -11.018 -2.194 0.785 1.00 0.00 C ATOM 571 C ALA A 36 -11.369 -3.133 1.942 1.00 0.00 C ATOM 572 O ALA A 36 -12.082 -4.116 1.753 1.00 0.00 O ATOM 573 CB ALA A 36 -11.951 -0.983 0.713 1.00 0.00 C ATOM 0 H ALA A 36 -12.018 -3.025 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.010 -1.818 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.904 -0.431 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.642 -0.334 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.973 -1.321 0.542 1.00 0.00 H new ATOM 579 N ALA A 37 -10.851 -2.794 3.113 1.00 0.00 N ATOM 580 CA ALA A 37 -11.101 -3.593 4.300 1.00 0.00 C ATOM 581 C ALA A 37 -11.371 -2.667 5.487 1.00 0.00 C ATOM 582 O ALA A 37 -11.386 -1.446 5.335 1.00 0.00 O ATOM 583 CB ALA A 37 -9.914 -4.527 4.548 1.00 0.00 C ATOM 0 H ALA A 37 -10.259 -1.977 3.265 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.984 -4.217 4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.102 -5.126 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.783 -5.185 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.010 -3.936 4.693 1.00 0.00 H new ATOM 589 N GLY A 38 -11.576 -3.282 6.643 1.00 0.00 N ATOM 590 CA GLY A 38 -11.844 -2.527 7.855 1.00 0.00 C ATOM 591 C GLY A 38 -10.682 -1.587 8.184 1.00 0.00 C ATOM 592 O GLY A 38 -10.877 -0.381 8.329 1.00 0.00 O ATOM 0 H GLY A 38 -11.562 -4.295 6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.760 -1.949 7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.008 -3.213 8.686 1.00 0.00 H new ATOM 596 N ASP A 39 -9.500 -2.174 8.293 1.00 0.00 N ATOM 597 CA ASP A 39 -8.306 -1.405 8.601 1.00 0.00 C ATOM 598 C ASP A 39 -7.105 -2.347 8.691 1.00 0.00 C ATOM 599 O ASP A 39 -7.271 -3.566 8.733 1.00 0.00 O ATOM 600 CB ASP A 39 -8.447 -0.688 9.945 1.00 0.00 C ATOM 601 CG ASP A 39 -9.526 -1.253 10.871 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.194 -2.197 11.620 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.659 -0.728 10.808 1.00 0.00 O ATOM 0 H ASP A 39 -9.343 -3.175 8.173 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.166 -0.668 7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.489 -0.727 10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.665 0.363 9.757 1.00 0.00 H new ATOM 608 N GLY A 40 -5.924 -1.749 8.719 1.00 0.00 N ATOM 609 CA GLY A 40 -4.696 -2.520 8.804 1.00 0.00 C ATOM 610 C GLY A 40 -4.957 -4.001 8.520 1.00 0.00 C ATOM 611 O GLY A 40 -5.224 -4.382 7.382 1.00 0.00 O ATOM 0 H GLY A 40 -5.791 -0.738 8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.969 -2.132 8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.260 -2.408 9.797 1.00 0.00 H new ATOM 615 N GLU A 41 -4.873 -4.797 9.577 1.00 0.00 N ATOM 616 CA GLU A 41 -5.098 -6.227 9.456 1.00 0.00 C ATOM 617 C GLU A 41 -6.411 -6.497 8.720 1.00 0.00 C ATOM 618 O GLU A 41 -6.434 -7.235 7.735 1.00 0.00 O ATOM 619 CB GLU A 41 -5.090 -6.900 10.829 1.00 0.00 C ATOM 620 CG GLU A 41 -6.419 -6.683 11.554 1.00 0.00 C ATOM 621 CD GLU A 41 -6.423 -7.383 12.915 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.425 -8.080 13.197 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.425 -7.207 13.641 1.00 0.00 O ATOM 0 H GLU A 41 -4.652 -4.478 10.520 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.283 -6.656 8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.905 -7.968 10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.274 -6.498 11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.593 -5.616 11.690 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.237 -7.064 10.943 1.00 0.00 H new ATOM 630 N GLN A 42 -7.473 -5.888 9.225 1.00 0.00 N ATOM 631 CA GLN A 42 -8.787 -6.054 8.628 1.00 0.00 C ATOM 632 C GLN A 42 -8.677 -6.076 7.102 1.00 0.00 C ATOM 633 O GLN A 42 -9.503 -6.688 6.426 1.00 0.00 O ATOM 634 CB GLN A 42 -9.743 -4.953 9.092 1.00 0.00 C ATOM 635 CG GLN A 42 -10.795 -5.511 10.051 1.00 0.00 C ATOM 636 CD GLN A 42 -12.053 -5.944 9.296 1.00 0.00 C ATOM 637 OE1 GLN A 42 -12.009 -6.344 8.144 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.173 -5.846 10.006 1.00 0.00 N ATOM 0 H GLN A 42 -7.450 -5.278 10.042 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.197 -7.009 8.958 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.180 -4.161 9.585 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.234 -4.505 8.228 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.382 -6.361 10.594 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.054 -4.755 10.792 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.140 -5.503 10.966 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.065 -6.114 9.591 1.00 0.00 H new ATOM 647 N GLY A 43 -7.650 -5.404 6.604 1.00 0.00 N ATOM 648 CA GLY A 43 -7.421 -5.340 5.171 1.00 0.00 C ATOM 649 C GLY A 43 -6.217 -6.194 4.769 1.00 0.00 C ATOM 650 O GLY A 43 -6.266 -6.911 3.770 1.00 0.00 O ATOM 0 H GLY A 43 -6.967 -4.899 7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.309 -5.685 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.254 -4.305 4.872 1.00 0.00 H new ATOM 654 N MET A 44 -5.165 -6.090 5.567 1.00 0.00 N ATOM 655 CA MET A 44 -3.951 -6.844 5.307 1.00 0.00 C ATOM 656 C MET A 44 -4.245 -8.342 5.212 1.00 0.00 C ATOM 657 O MET A 44 -3.836 -8.999 4.256 1.00 0.00 O ATOM 658 CB MET A 44 -2.943 -6.592 6.431 1.00 0.00 C ATOM 659 CG MET A 44 -2.231 -7.886 6.828 1.00 0.00 C ATOM 660 SD MET A 44 -1.314 -8.530 5.439 1.00 0.00 S ATOM 661 CE MET A 44 -0.646 -10.016 6.170 1.00 0.00 C ATOM 0 H MET A 44 -5.128 -5.495 6.394 1.00 0.00 H new ATOM 0 HA MET A 44 -3.538 -6.513 4.354 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.209 -5.853 6.108 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.456 -6.174 7.297 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.557 -7.698 7.664 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.960 -8.623 7.166 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.082 -10.460 5.491 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.160 -9.770 7.114 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.452 -10.726 6.351 1.00 0.00 H new ATOM 671 N LYS A 45 -4.953 -8.838 6.216 1.00 0.00 N ATOM 672 CA LYS A 45 -5.307 -10.246 6.258 1.00 0.00 C ATOM 673 C LYS A 45 -6.077 -10.612 4.988 1.00 0.00 C ATOM 674 O LYS A 45 -5.913 -11.707 4.451 1.00 0.00 O ATOM 675 CB LYS A 45 -6.061 -10.572 7.548 1.00 0.00 C ATOM 676 CG LYS A 45 -5.091 -10.760 8.718 1.00 0.00 C ATOM 677 CD LYS A 45 -5.647 -10.133 9.998 1.00 0.00 C ATOM 678 CE LYS A 45 -6.680 -11.052 10.655 1.00 0.00 C ATOM 679 NZ LYS A 45 -6.775 -10.772 12.104 1.00 0.00 N ATOM 0 H LYS A 45 -5.291 -8.289 7.007 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.409 -10.863 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.761 -9.769 7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.650 -11.479 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.911 -11.823 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.130 -10.307 8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.832 -9.938 10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.105 -9.171 9.767 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.654 -10.908 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.401 -12.094 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.483 -11.614 12.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.152 -9.975 12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.757 -10.530 12.347 1.00 0.00 H new ATOM 693 N ILE A 46 -6.902 -9.675 4.544 1.00 0.00 N ATOM 694 CA ILE A 46 -7.698 -9.885 3.346 1.00 0.00 C ATOM 695 C ILE A 46 -6.768 -10.158 2.162 1.00 0.00 C ATOM 696 O ILE A 46 -7.024 -11.057 1.362 1.00 0.00 O ATOM 697 CB ILE A 46 -8.649 -8.707 3.123 1.00 0.00 C ATOM 698 CG1 ILE A 46 -10.012 -8.974 3.765 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.773 -8.378 1.633 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.853 -9.653 5.126 1.00 0.00 C ATOM 0 H ILE A 46 -7.037 -8.769 4.992 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.335 -10.762 3.460 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.228 -7.830 3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.552 -8.035 3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.610 -9.605 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.454 -7.537 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.793 -8.116 1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.161 -9.246 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.837 -9.831 5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.334 -10.603 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.275 -9.009 5.789 1.00 0.00 H new ATOM 712 N MET A 47 -5.709 -9.366 2.087 1.00 0.00 N ATOM 713 CA MET A 47 -4.741 -9.511 1.015 1.00 0.00 C ATOM 714 C MET A 47 -3.953 -10.815 1.159 1.00 0.00 C ATOM 715 O MET A 47 -3.575 -11.430 0.163 1.00 0.00 O ATOM 716 CB MET A 47 -3.773 -8.326 1.036 1.00 0.00 C ATOM 717 CG MET A 47 -4.414 -7.083 0.415 1.00 0.00 C ATOM 718 SD MET A 47 -4.000 -6.984 -1.318 1.00 0.00 S ATOM 719 CE MET A 47 -5.569 -7.434 -2.038 1.00 0.00 C ATOM 0 H MET A 47 -5.500 -8.621 2.752 1.00 0.00 H new ATOM 0 HA MET A 47 -5.279 -9.536 0.067 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.477 -8.112 2.063 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.866 -8.583 0.489 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.496 -7.122 0.537 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.067 -6.188 0.932 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.636 -7.029 -3.048 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.654 -8.520 -2.076 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.378 -7.028 -1.430 1.00 0.00 H new ATOM 729 N ALA A 48 -3.731 -11.200 2.407 1.00 0.00 N ATOM 730 CA ALA A 48 -2.997 -12.419 2.695 1.00 0.00 C ATOM 731 C ALA A 48 -3.774 -13.618 2.149 1.00 0.00 C ATOM 732 O ALA A 48 -3.205 -14.478 1.477 1.00 0.00 O ATOM 733 CB ALA A 48 -2.748 -12.523 4.201 1.00 0.00 C ATOM 0 H ALA A 48 -4.047 -10.688 3.231 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.024 -12.405 2.204 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.197 -13.438 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.167 -11.663 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.702 -12.542 4.727 1.00 0.00 H new ATOM 739 N GLN A 49 -5.062 -13.638 2.457 1.00 0.00 N ATOM 740 CA GLN A 49 -5.923 -14.718 2.005 1.00 0.00 C ATOM 741 C GLN A 49 -6.039 -14.702 0.480 1.00 0.00 C ATOM 742 O GLN A 49 -5.635 -15.653 -0.187 1.00 0.00 O ATOM 743 CB GLN A 49 -7.303 -14.630 2.661 1.00 0.00 C ATOM 744 CG GLN A 49 -7.181 -14.361 4.162 1.00 0.00 C ATOM 745 CD GLN A 49 -7.632 -15.575 4.976 1.00 0.00 C ATOM 746 OE1 GLN A 49 -7.329 -16.715 4.660 1.00 0.00 O ATOM 747 NE2 GLN A 49 -8.373 -15.271 6.037 1.00 0.00 N ATOM 0 H GLN A 49 -5.531 -12.924 3.014 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.474 -15.665 2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.883 -13.835 2.192 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.847 -15.560 2.498 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.148 -14.117 4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.785 -13.494 4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.590 -14.296 6.245 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.724 -16.012 6.643 1.00 0.00 H new ATOM 756 N ASN A 50 -6.592 -13.610 -0.028 1.00 0.00 N ATOM 757 CA ASN A 50 -6.766 -13.457 -1.463 1.00 0.00 C ATOM 758 C ASN A 50 -5.440 -13.024 -2.090 1.00 0.00 C ATOM 759 O ASN A 50 -4.425 -12.929 -1.401 1.00 0.00 O ATOM 760 CB ASN A 50 -7.812 -12.386 -1.779 1.00 0.00 C ATOM 761 CG ASN A 50 -8.705 -12.116 -0.567 1.00 0.00 C ATOM 762 OD1 ASN A 50 -8.932 -12.972 0.273 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.199 -10.882 -0.523 1.00 0.00 N ATOM 0 H ASN A 50 -6.925 -12.823 0.528 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.096 -14.414 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.314 -11.464 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.424 -12.708 -2.621 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.808 -10.603 0.247 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.969 -10.214 -1.259 1.00 0.00 H new ATOM 770 N PRO A 51 -5.492 -12.764 -3.424 1.00 0.00 N ATOM 771 CA PRO A 51 -4.308 -12.342 -4.151 1.00 0.00 C ATOM 772 C PRO A 51 -3.968 -10.882 -3.845 1.00 0.00 C ATOM 773 O PRO A 51 -4.861 -10.047 -3.714 1.00 0.00 O ATOM 774 CB PRO A 51 -4.640 -12.581 -5.615 1.00 0.00 C ATOM 775 CG PRO A 51 -6.154 -12.687 -5.688 1.00 0.00 C ATOM 776 CD PRO A 51 -6.677 -12.865 -4.271 1.00 0.00 C ATOM 0 HA PRO A 51 -3.416 -12.898 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.276 -11.763 -6.236 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.167 -13.493 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.578 -11.791 -6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.448 -13.531 -6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.410 -12.098 -4.020 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.170 -13.829 -4.149 1.00 0.00 H new ATOM 784 N HIS A 52 -2.672 -10.620 -3.742 1.00 0.00 N ATOM 785 CA HIS A 52 -2.203 -9.275 -3.454 1.00 0.00 C ATOM 786 C HIS A 52 -1.041 -8.927 -4.387 1.00 0.00 C ATOM 787 O HIS A 52 -0.206 -9.778 -4.689 1.00 0.00 O ATOM 788 CB HIS A 52 -1.839 -9.131 -1.975 1.00 0.00 C ATOM 789 CG HIS A 52 -0.947 -10.232 -1.452 1.00 0.00 C ATOM 790 ND1 HIS A 52 -1.240 -11.576 -1.617 1.00 0.00 N ATOM 791 CD2 HIS A 52 0.230 -10.176 -0.767 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.274 -12.285 -1.052 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.636 -11.416 -0.525 1.00 0.00 N ATOM 0 H HIS A 52 -1.934 -11.315 -3.853 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.003 -8.559 -3.642 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.342 -8.173 -1.825 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.756 -9.110 -1.386 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.059 -11.955 -2.092 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.745 -9.274 -0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.217 -13.363 -1.015 1.00 0.00 H new ATOM 802 N HIS A 53 -1.025 -7.674 -4.818 1.00 0.00 N ATOM 803 CA HIS A 53 0.020 -7.203 -5.710 1.00 0.00 C ATOM 804 C HIS A 53 0.536 -5.846 -5.225 1.00 0.00 C ATOM 805 O HIS A 53 1.730 -5.565 -5.313 1.00 0.00 O ATOM 806 CB HIS A 53 -0.477 -7.165 -7.156 1.00 0.00 C ATOM 807 CG HIS A 53 0.628 -7.157 -8.185 1.00 0.00 C ATOM 808 ND1 HIS A 53 0.854 -6.087 -9.035 1.00 0.00 N ATOM 809 CD2 HIS A 53 1.569 -8.096 -8.491 1.00 0.00 C ATOM 810 CE1 HIS A 53 1.885 -6.382 -9.813 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.327 -7.628 -9.475 1.00 0.00 N ATOM 0 H HIS A 53 -1.719 -6.971 -4.566 1.00 0.00 H new ATOM 0 HA HIS A 53 0.859 -7.899 -5.693 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.117 -8.029 -7.332 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.094 -6.277 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.679 -9.058 -8.013 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.303 -5.747 -10.581 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.110 -8.118 -9.907 1.00 0.00 H new ATOM 820 N LEU A 54 -0.390 -5.042 -4.724 1.00 0.00 N ATOM 821 CA LEU A 54 -0.044 -3.722 -4.224 1.00 0.00 C ATOM 822 C LEU A 54 -0.997 -3.346 -3.087 1.00 0.00 C ATOM 823 O LEU A 54 -2.208 -3.271 -3.287 1.00 0.00 O ATOM 824 CB LEU A 54 -0.020 -2.707 -5.368 1.00 0.00 C ATOM 825 CG LEU A 54 0.476 -1.304 -5.009 1.00 0.00 C ATOM 826 CD1 LEU A 54 1.789 -0.987 -5.728 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.599 -0.253 -5.291 1.00 0.00 C ATOM 0 H LEU A 54 -1.380 -5.279 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 54 0.963 -3.723 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.611 -3.101 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.028 -2.622 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 54 0.679 -1.277 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.120 0.015 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.548 -1.712 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.635 -1.038 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.220 0.735 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.857 -0.272 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.487 -0.472 -4.697 1.00 0.00 H new ATOM 839 N VAL A 55 -0.413 -3.119 -1.920 1.00 0.00 N ATOM 840 CA VAL A 55 -1.194 -2.752 -0.751 1.00 0.00 C ATOM 841 C VAL A 55 -1.153 -1.233 -0.572 1.00 0.00 C ATOM 842 O VAL A 55 -0.112 -0.609 -0.771 1.00 0.00 O ATOM 843 CB VAL A 55 -0.688 -3.513 0.476 1.00 0.00 C ATOM 844 CG1 VAL A 55 -1.056 -2.778 1.767 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.222 -4.946 0.491 1.00 0.00 C ATOM 0 H VAL A 55 0.592 -3.182 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.238 -3.035 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 55 0.399 -3.561 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.685 -3.340 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.606 -1.785 1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.140 -2.685 1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.847 -5.465 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.312 -4.928 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.888 -5.468 -0.406 1.00 0.00 H new ATOM 855 N ILE A 56 -2.298 -0.682 -0.197 1.00 0.00 N ATOM 856 CA ILE A 56 -2.406 0.751 0.011 1.00 0.00 C ATOM 857 C ILE A 56 -3.255 1.019 1.256 1.00 0.00 C ATOM 858 O ILE A 56 -4.426 0.643 1.305 1.00 0.00 O ATOM 859 CB ILE A 56 -2.931 1.439 -1.251 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.027 0.602 -1.915 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.788 1.758 -2.217 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.439 -0.648 -2.573 1.00 0.00 C ATOM 0 H ILE A 56 -3.159 -1.203 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.423 1.184 0.196 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.382 2.388 -0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.769 0.311 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.545 1.202 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.188 2.246 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.074 2.421 -1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.287 0.834 -2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.239 -1.225 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.716 -0.353 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.943 -1.258 -1.818 1.00 0.00 H new ATOM 874 N SER A 57 -2.632 1.667 2.230 1.00 0.00 N ATOM 875 CA SER A 57 -3.316 1.989 3.470 1.00 0.00 C ATOM 876 C SER A 57 -2.882 3.370 3.964 1.00 0.00 C ATOM 877 O SER A 57 -2.127 4.067 3.287 1.00 0.00 O ATOM 878 CB SER A 57 -3.040 0.932 4.542 1.00 0.00 C ATOM 879 OG SER A 57 -3.182 1.458 5.859 1.00 0.00 O ATOM 0 H SER A 57 -1.661 1.977 2.185 1.00 0.00 H new ATOM 0 HA SER A 57 -4.388 2.000 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.725 0.094 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.030 0.541 4.415 1.00 0.00 H new ATOM 0 HG SER A 57 -2.999 0.753 6.514 1.00 0.00 H new ATOM 885 N ASP A 58 -3.380 3.727 5.138 1.00 0.00 N ATOM 886 CA ASP A 58 -3.054 5.014 5.729 1.00 0.00 C ATOM 887 C ASP A 58 -1.830 4.858 6.634 1.00 0.00 C ATOM 888 O ASP A 58 -1.375 3.743 6.883 1.00 0.00 O ATOM 889 CB ASP A 58 -4.210 5.536 6.585 1.00 0.00 C ATOM 890 CG ASP A 58 -3.892 6.785 7.408 1.00 0.00 C ATOM 891 OD1 ASP A 58 -3.382 7.751 6.800 1.00 0.00 O ATOM 892 OD2 ASP A 58 -4.166 6.748 8.627 1.00 0.00 O ATOM 0 H ASP A 58 -4.007 3.148 5.696 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.858 5.717 4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.055 5.755 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.527 4.744 7.263 1.00 0.00 H new ATOM 897 N PHE A 59 -1.331 5.994 7.101 1.00 0.00 N ATOM 898 CA PHE A 59 -0.168 5.998 7.973 1.00 0.00 C ATOM 899 C PHE A 59 -0.563 5.671 9.415 1.00 0.00 C ATOM 900 O PHE A 59 0.291 5.333 10.234 1.00 0.00 O ATOM 901 CB PHE A 59 0.421 7.409 7.926 1.00 0.00 C ATOM 902 CG PHE A 59 1.636 7.546 7.006 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.658 6.653 7.092 1.00 0.00 C ATOM 904 CD2 PHE A 59 1.693 8.559 6.101 1.00 0.00 C ATOM 905 CE1 PHE A 59 3.786 6.779 6.238 1.00 0.00 C ATOM 906 CE2 PHE A 59 2.820 8.686 5.247 1.00 0.00 C ATOM 907 CZ PHE A 59 3.843 7.794 5.334 1.00 0.00 C ATOM 0 H PHE A 59 -1.711 6.917 6.892 1.00 0.00 H new ATOM 0 HA PHE A 59 0.549 5.247 7.641 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.352 8.103 7.596 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.707 7.706 8.935 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.612 5.848 7.810 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.881 9.267 6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.598 6.070 6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.865 9.491 4.528 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.701 7.892 4.685 1.00 0.00 H new ATOM 917 N ASN A 60 -1.855 5.783 9.681 1.00 0.00 N ATOM 918 CA ASN A 60 -2.373 5.503 11.009 1.00 0.00 C ATOM 919 C ASN A 60 -1.667 4.271 11.579 1.00 0.00 C ATOM 920 O ASN A 60 -0.932 3.589 10.867 1.00 0.00 O ATOM 921 CB ASN A 60 -3.874 5.208 10.964 1.00 0.00 C ATOM 922 CG ASN A 60 -4.684 6.410 11.457 1.00 0.00 C ATOM 923 OD1 ASN A 60 -4.600 7.506 10.928 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.469 6.143 12.497 1.00 0.00 N ATOM 0 H ASN A 60 -2.560 6.064 8.999 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.196 6.380 11.631 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.169 4.959 9.945 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.096 4.337 11.581 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.049 6.879 12.900 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.491 5.203 12.891 1.00 0.00 H new ATOM 931 N MET A 61 -1.914 4.025 12.857 1.00 0.00 N ATOM 932 CA MET A 61 -1.309 2.888 13.529 1.00 0.00 C ATOM 933 C MET A 61 -2.354 1.811 13.831 1.00 0.00 C ATOM 934 O MET A 61 -2.683 1.568 14.991 1.00 0.00 O ATOM 935 CB MET A 61 -0.663 3.351 14.837 1.00 0.00 C ATOM 936 CG MET A 61 -1.726 3.738 15.867 1.00 0.00 C ATOM 937 SD MET A 61 -1.190 5.172 16.787 1.00 0.00 S ATOM 938 CE MET A 61 -2.258 6.413 16.077 1.00 0.00 C ATOM 0 H MET A 61 -2.524 4.593 13.444 1.00 0.00 H new ATOM 0 HA MET A 61 -0.552 2.462 12.870 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.035 2.555 15.238 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.012 4.203 14.643 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.670 3.949 15.366 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.906 2.905 16.547 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.054 7.378 16.542 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.074 6.481 15.005 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.299 6.140 16.250 1.00 0.00 H new ATOM 948 N PRO A 62 -2.860 1.178 12.738 1.00 0.00 N ATOM 949 CA PRO A 62 -3.860 0.134 12.873 1.00 0.00 C ATOM 950 C PRO A 62 -3.230 -1.166 13.377 1.00 0.00 C ATOM 951 O PRO A 62 -2.142 -1.152 13.950 1.00 0.00 O ATOM 952 CB PRO A 62 -4.477 -0.002 11.491 1.00 0.00 C ATOM 953 CG PRO A 62 -3.489 0.637 10.529 1.00 0.00 C ATOM 954 CD PRO A 62 -2.494 1.441 11.349 1.00 0.00 C ATOM 0 HA PRO A 62 -4.623 0.376 13.613 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.645 -1.049 11.240 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.445 0.496 11.445 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.974 -0.127 9.947 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.009 1.282 9.820 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.469 1.131 11.144 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.557 2.504 11.117 1.00 0.00 H new ATOM 962 N LYS A 63 -3.943 -2.260 13.146 1.00 0.00 N ATOM 963 CA LYS A 63 -3.467 -3.565 13.569 1.00 0.00 C ATOM 964 C LYS A 63 -2.132 -3.865 12.884 1.00 0.00 C ATOM 965 O LYS A 63 -1.276 -4.540 13.452 1.00 0.00 O ATOM 966 CB LYS A 63 -4.537 -4.631 13.323 1.00 0.00 C ATOM 967 CG LYS A 63 -5.494 -4.731 14.512 1.00 0.00 C ATOM 968 CD LYS A 63 -5.158 -5.939 15.389 1.00 0.00 C ATOM 969 CE LYS A 63 -3.672 -6.289 15.291 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.197 -6.892 16.557 1.00 0.00 N ATOM 0 H LYS A 63 -4.846 -2.268 12.672 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.282 -3.572 14.643 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.097 -4.388 12.420 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.061 -5.597 13.152 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.437 -3.819 15.106 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.519 -4.813 14.152 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.417 -5.724 16.426 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.758 -6.795 15.081 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.510 -6.984 14.467 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.095 -5.391 15.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.187 -7.124 16.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.334 -6.217 17.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.736 -7.760 16.752 1.00 0.00 H new ATOM 984 N MET A 64 -1.997 -3.347 11.672 1.00 0.00 N ATOM 985 CA MET A 64 -0.781 -3.549 10.903 1.00 0.00 C ATOM 986 C MET A 64 -0.500 -2.350 9.996 1.00 0.00 C ATOM 987 O MET A 64 -1.293 -2.035 9.111 1.00 0.00 O ATOM 988 CB MET A 64 -0.922 -4.812 10.049 1.00 0.00 C ATOM 989 CG MET A 64 -1.445 -5.982 10.884 1.00 0.00 C ATOM 990 SD MET A 64 -0.938 -7.529 10.152 1.00 0.00 S ATOM 991 CE MET A 64 -0.951 -8.575 11.599 1.00 0.00 C ATOM 0 H MET A 64 -2.710 -2.788 11.204 1.00 0.00 H new ATOM 0 HA MET A 64 0.052 -3.659 11.598 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.602 -4.620 9.219 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.044 -5.072 9.616 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.065 -5.911 11.903 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.532 -5.938 10.945 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.656 -9.586 11.319 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.251 -8.184 12.337 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.954 -8.594 12.025 1.00 0.00 H new ATOM 1001 N ASP A 65 0.634 -1.711 10.249 1.00 0.00 N ATOM 1002 CA ASP A 65 1.031 -0.552 9.467 1.00 0.00 C ATOM 1003 C ASP A 65 2.359 -0.847 8.766 1.00 0.00 C ATOM 1004 O ASP A 65 2.989 -1.870 9.025 1.00 0.00 O ATOM 1005 CB ASP A 65 1.230 0.673 10.362 1.00 0.00 C ATOM 1006 CG ASP A 65 1.232 2.016 9.628 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.189 2.327 9.012 1.00 0.00 O ATOM 1008 OD2 ASP A 65 2.275 2.700 9.698 1.00 0.00 O ATOM 0 H ASP A 65 1.290 -1.974 10.984 1.00 0.00 H new ATOM 0 HA ASP A 65 0.242 -0.346 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.440 0.688 11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.175 0.566 10.895 1.00 0.00 H new ATOM 1013 N GLY A 66 2.743 0.070 7.889 1.00 0.00 N ATOM 1014 CA GLY A 66 3.985 -0.078 7.148 1.00 0.00 C ATOM 1015 C GLY A 66 4.983 -0.945 7.919 1.00 0.00 C ATOM 1016 O GLY A 66 5.693 -1.757 7.325 1.00 0.00 O ATOM 0 H GLY A 66 2.217 0.917 7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.782 -0.528 6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.420 0.904 6.960 1.00 0.00 H new ATOM 1020 N LEU A 67 5.006 -0.745 9.228 1.00 0.00 N ATOM 1021 CA LEU A 67 5.905 -1.498 10.085 1.00 0.00 C ATOM 1022 C LEU A 67 5.399 -2.937 10.209 1.00 0.00 C ATOM 1023 O LEU A 67 6.070 -3.873 9.776 1.00 0.00 O ATOM 1024 CB LEU A 67 6.081 -0.790 11.430 1.00 0.00 C ATOM 1025 CG LEU A 67 6.632 0.635 11.370 1.00 0.00 C ATOM 1026 CD1 LEU A 67 8.019 0.661 10.723 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.652 1.574 10.663 1.00 0.00 C ATOM 0 H LEU A 67 4.416 -0.072 9.716 1.00 0.00 H new ATOM 0 HA LEU A 67 6.900 -1.547 9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.115 -0.764 11.934 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.747 -1.390 12.050 1.00 0.00 H new ATOM 0 HG LEU A 67 6.746 0.999 12.391 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.387 1.686 10.693 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.704 0.046 11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.954 0.269 9.708 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.069 2.581 10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.482 1.223 9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.706 1.588 11.205 1.00 0.00 H new ATOM 1039 N GLY A 68 4.221 -3.067 10.801 1.00 0.00 N ATOM 1040 CA GLY A 68 3.619 -4.376 10.988 1.00 0.00 C ATOM 1041 C GLY A 68 3.392 -5.071 9.644 1.00 0.00 C ATOM 1042 O GLY A 68 3.642 -6.268 9.510 1.00 0.00 O ATOM 0 H GLY A 68 3.668 -2.288 11.157 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.264 -4.991 11.615 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.669 -4.272 11.513 1.00 0.00 H new ATOM 1046 N LEU A 69 2.922 -4.290 8.681 1.00 0.00 N ATOM 1047 CA LEU A 69 2.660 -4.817 7.353 1.00 0.00 C ATOM 1048 C LEU A 69 3.930 -5.473 6.809 1.00 0.00 C ATOM 1049 O LEU A 69 3.886 -6.593 6.302 1.00 0.00 O ATOM 1050 CB LEU A 69 2.095 -3.722 6.445 1.00 0.00 C ATOM 1051 CG LEU A 69 0.708 -3.988 5.856 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.353 -4.047 6.956 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.363 -2.957 4.780 1.00 0.00 C ATOM 0 H LEU A 69 2.716 -3.297 8.795 1.00 0.00 H new ATOM 0 HA LEU A 69 1.894 -5.592 7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.055 -2.792 7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.793 -3.564 5.623 1.00 0.00 H new ATOM 0 HG LEU A 69 0.723 -4.965 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.329 -4.237 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.110 -4.849 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.377 -3.097 7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.628 -3.169 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.371 -1.958 5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.099 -3.008 3.978 1.00 0.00 H new ATOM 1065 N LEU A 70 5.032 -4.747 6.931 1.00 0.00 N ATOM 1066 CA LEU A 70 6.312 -5.245 6.458 1.00 0.00 C ATOM 1067 C LEU A 70 6.624 -6.575 7.147 1.00 0.00 C ATOM 1068 O LEU A 70 6.621 -7.625 6.507 1.00 0.00 O ATOM 1069 CB LEU A 70 7.400 -4.186 6.642 1.00 0.00 C ATOM 1070 CG LEU A 70 8.780 -4.535 6.081 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.822 -3.499 6.501 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.189 -5.955 6.479 1.00 0.00 C ATOM 0 H LEU A 70 5.064 -3.818 7.351 1.00 0.00 H new ATOM 0 HA LEU A 70 6.271 -5.443 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.062 -3.262 6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.504 -3.983 7.708 1.00 0.00 H new ATOM 0 HG LEU A 70 8.723 -4.509 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.793 -3.772 6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.531 -2.518 6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.886 -3.467 7.589 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.173 -6.179 6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.223 -6.033 7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.462 -6.666 6.087 1.00 0.00 H new ATOM 1084 N GLN A 71 6.886 -6.485 8.443 1.00 0.00 N ATOM 1085 CA GLN A 71 7.199 -7.668 9.226 1.00 0.00 C ATOM 1086 C GLN A 71 6.250 -8.812 8.863 1.00 0.00 C ATOM 1087 O GLN A 71 6.636 -9.980 8.904 1.00 0.00 O ATOM 1088 CB GLN A 71 7.144 -7.364 10.725 1.00 0.00 C ATOM 1089 CG GLN A 71 8.033 -6.168 11.075 1.00 0.00 C ATOM 1090 CD GLN A 71 8.686 -6.354 12.445 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.335 -7.350 12.723 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.480 -5.343 13.284 1.00 0.00 N ATOM 0 H GLN A 71 6.888 -5.612 8.970 1.00 0.00 H new ATOM 0 HA GLN A 71 8.217 -7.978 8.989 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.116 -7.156 11.020 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.467 -8.239 11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.804 -6.048 10.314 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.438 -5.255 11.073 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.927 -4.539 12.988 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.875 -5.372 14.224 1.00 0.00 H new ATOM 1101 N ALA A 72 5.028 -8.436 8.518 1.00 0.00 N ATOM 1102 CA ALA A 72 4.021 -9.416 8.148 1.00 0.00 C ATOM 1103 C ALA A 72 4.473 -10.156 6.887 1.00 0.00 C ATOM 1104 O ALA A 72 4.483 -11.386 6.855 1.00 0.00 O ATOM 1105 CB ALA A 72 2.673 -8.717 7.961 1.00 0.00 C ATOM 0 H ALA A 72 4.712 -7.467 8.487 1.00 0.00 H new ATOM 0 HA ALA A 72 3.898 -10.156 8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.917 -9.452 7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.382 -8.232 8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.758 -7.968 7.173 1.00 0.00 H new ATOM 1111 N VAL A 73 4.838 -9.376 5.880 1.00 0.00 N ATOM 1112 CA VAL A 73 5.290 -9.942 4.621 1.00 0.00 C ATOM 1113 C VAL A 73 6.493 -10.850 4.878 1.00 0.00 C ATOM 1114 O VAL A 73 6.509 -12.003 4.449 1.00 0.00 O ATOM 1115 CB VAL A 73 5.589 -8.822 3.622 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.705 -7.602 3.885 1.00 0.00 C ATOM 1117 CG2 VAL A 73 7.070 -8.442 3.651 1.00 0.00 C ATOM 0 H VAL A 73 4.830 -8.356 5.911 1.00 0.00 H new ATOM 0 HA VAL A 73 4.508 -10.557 4.176 1.00 0.00 H new ATOM 0 HB VAL A 73 5.358 -9.194 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.938 -6.821 3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.657 -7.885 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.889 -7.229 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.255 -7.644 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.338 -8.099 4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.674 -9.312 3.392 1.00 0.00 H new ATOM 1127 N ARG A 74 7.474 -10.297 5.577 1.00 0.00 N ATOM 1128 CA ARG A 74 8.679 -11.043 5.897 1.00 0.00 C ATOM 1129 C ARG A 74 8.333 -12.498 6.222 1.00 0.00 C ATOM 1130 O ARG A 74 9.134 -13.398 5.983 1.00 0.00 O ATOM 1131 CB ARG A 74 9.411 -10.422 7.088 1.00 0.00 C ATOM 1132 CG ARG A 74 9.735 -8.950 6.827 1.00 0.00 C ATOM 1133 CD ARG A 74 10.063 -8.714 5.351 1.00 0.00 C ATOM 1134 NE ARG A 74 11.243 -9.520 4.960 1.00 0.00 N ATOM 1135 CZ ARG A 74 11.750 -9.555 3.721 1.00 0.00 C ATOM 1136 NH1 ARG A 74 11.185 -8.832 2.744 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.822 -10.315 3.458 1.00 0.00 N ATOM 0 H ARG A 74 7.458 -9.340 5.931 1.00 0.00 H new ATOM 0 HA ARG A 74 9.332 -11.008 5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.795 -10.509 7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.332 -10.972 7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.887 -8.330 7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.580 -8.645 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.207 -8.983 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.261 -7.656 5.178 1.00 0.00 H new ATOM 0 HE ARG A 74 11.697 -10.083 5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.368 -8.255 2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.572 -8.859 1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.251 -10.866 4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.209 -10.342 2.515 1.00 0.00 H new ATOM 1151 N ALA A 75 7.136 -12.682 6.760 1.00 0.00 N ATOM 1152 CA ALA A 75 6.673 -14.011 7.119 1.00 0.00 C ATOM 1153 C ALA A 75 6.122 -14.708 5.875 1.00 0.00 C ATOM 1154 O ALA A 75 6.500 -15.840 5.575 1.00 0.00 O ATOM 1155 CB ALA A 75 5.633 -13.905 8.238 1.00 0.00 C ATOM 0 H ALA A 75 6.473 -11.932 6.956 1.00 0.00 H new ATOM 0 HA ALA A 75 7.498 -14.615 7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.285 -14.902 8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.083 -13.430 9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.789 -13.307 7.895 1.00 0.00 H new ATOM 1161 N ASN A 76 5.238 -14.004 5.183 1.00 0.00 N ATOM 1162 CA ASN A 76 4.631 -14.542 3.977 1.00 0.00 C ATOM 1163 C ASN A 76 5.342 -13.964 2.752 1.00 0.00 C ATOM 1164 O ASN A 76 5.434 -12.747 2.599 1.00 0.00 O ATOM 1165 CB ASN A 76 3.151 -14.162 3.888 1.00 0.00 C ATOM 1166 CG ASN A 76 2.261 -15.402 3.975 1.00 0.00 C ATOM 1167 OD1 ASN A 76 2.319 -16.175 4.917 1.00 0.00 O ATOM 1168 ND2 ASN A 76 1.434 -15.548 2.943 1.00 0.00 N ATOM 0 H ASN A 76 4.927 -13.066 5.434 1.00 0.00 H new ATOM 0 HA ASN A 76 4.723 -15.628 4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.900 -13.472 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.962 -13.639 2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.798 -16.344 2.908 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.436 -14.864 2.187 1.00 0.00 H new ATOM 1175 N PRO A 77 5.841 -14.888 1.888 1.00 0.00 N ATOM 1176 CA PRO A 77 6.543 -14.484 0.682 1.00 0.00 C ATOM 1177 C PRO A 77 5.563 -13.973 -0.376 1.00 0.00 C ATOM 1178 O PRO A 77 5.967 -13.330 -1.344 1.00 0.00 O ATOM 1179 CB PRO A 77 7.306 -15.719 0.236 1.00 0.00 C ATOM 1180 CG PRO A 77 6.644 -16.894 0.939 1.00 0.00 C ATOM 1181 CD PRO A 77 5.753 -16.338 2.037 1.00 0.00 C ATOM 0 HA PRO A 77 7.226 -13.652 0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.261 -15.836 -0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.360 -15.646 0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.058 -17.481 0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.397 -17.561 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.726 -16.686 1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.094 -16.656 3.022 1.00 0.00 H new ATOM 1189 N ALA A 78 4.293 -14.279 -0.157 1.00 0.00 N ATOM 1190 CA ALA A 78 3.251 -13.860 -1.079 1.00 0.00 C ATOM 1191 C ALA A 78 3.164 -12.333 -1.084 1.00 0.00 C ATOM 1192 O ALA A 78 3.082 -11.715 -2.145 1.00 0.00 O ATOM 1193 CB ALA A 78 1.926 -14.517 -0.687 1.00 0.00 C ATOM 0 H ALA A 78 3.961 -14.813 0.646 1.00 0.00 H new ATOM 0 HA ALA A 78 3.486 -14.181 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.145 -14.202 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.031 -15.601 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.656 -14.216 0.325 1.00 0.00 H new ATOM 1199 N THR A 79 3.187 -11.766 0.114 1.00 0.00 N ATOM 1200 CA THR A 79 3.113 -10.323 0.262 1.00 0.00 C ATOM 1201 C THR A 79 4.517 -9.715 0.274 1.00 0.00 C ATOM 1202 O THR A 79 4.688 -8.535 -0.026 1.00 0.00 O ATOM 1203 CB THR A 79 2.307 -10.018 1.526 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.820 -8.765 1.971 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.627 -10.981 2.671 1.00 0.00 C ATOM 0 H THR A 79 3.256 -12.281 0.992 1.00 0.00 H new ATOM 0 HA THR A 79 2.602 -9.864 -0.585 1.00 0.00 H new ATOM 0 HB THR A 79 1.242 -10.067 1.298 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.114 -8.269 2.436 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.028 -10.720 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.396 -12.001 2.364 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.685 -10.909 2.922 1.00 0.00 H new ATOM 1213 N LYS A 80 5.484 -10.549 0.624 1.00 0.00 N ATOM 1214 CA LYS A 80 6.868 -10.109 0.680 1.00 0.00 C ATOM 1215 C LYS A 80 7.279 -9.558 -0.687 1.00 0.00 C ATOM 1216 O LYS A 80 8.230 -8.784 -0.788 1.00 0.00 O ATOM 1217 CB LYS A 80 7.770 -11.237 1.184 1.00 0.00 C ATOM 1218 CG LYS A 80 8.483 -11.930 0.021 1.00 0.00 C ATOM 1219 CD LYS A 80 9.619 -11.060 -0.521 1.00 0.00 C ATOM 1220 CE LYS A 80 10.941 -11.832 -0.537 1.00 0.00 C ATOM 1221 NZ LYS A 80 12.044 -10.961 -1.000 1.00 0.00 N ATOM 0 H LYS A 80 5.337 -11.527 0.872 1.00 0.00 H new ATOM 0 HA LYS A 80 6.980 -9.297 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.507 -10.835 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.175 -11.965 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.881 -12.889 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.769 -12.140 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.377 -10.726 -1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.723 -10.166 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.161 -12.208 0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.855 -12.699 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.933 -11.500 -1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.839 -10.623 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.136 -10.147 -0.359 1.00 0.00 H new ATOM 1235 N LYS A 81 6.542 -9.977 -1.704 1.00 0.00 N ATOM 1236 CA LYS A 81 6.817 -9.535 -3.061 1.00 0.00 C ATOM 1237 C LYS A 81 5.829 -8.431 -3.444 1.00 0.00 C ATOM 1238 O LYS A 81 5.892 -7.893 -4.548 1.00 0.00 O ATOM 1239 CB LYS A 81 6.814 -10.725 -4.023 1.00 0.00 C ATOM 1240 CG LYS A 81 5.478 -10.829 -4.762 1.00 0.00 C ATOM 1241 CD LYS A 81 5.262 -12.242 -5.308 1.00 0.00 C ATOM 1242 CE LYS A 81 4.133 -12.953 -4.556 1.00 0.00 C ATOM 1243 NZ LYS A 81 3.519 -13.994 -5.410 1.00 0.00 N ATOM 0 H LYS A 81 5.754 -10.618 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 81 7.816 -9.105 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.625 -10.617 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.000 -11.645 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.663 -10.568 -4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.455 -10.111 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.022 -12.193 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.184 -12.816 -5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.523 -13.405 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.376 -12.229 -4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.755 -14.467 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.129 -13.554 -6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.240 -14.694 -5.677 1.00 0.00 H new ATOM 1257 N ALA A 82 4.938 -8.129 -2.511 1.00 0.00 N ATOM 1258 CA ALA A 82 3.938 -7.099 -2.737 1.00 0.00 C ATOM 1259 C ALA A 82 4.410 -5.789 -2.105 1.00 0.00 C ATOM 1260 O ALA A 82 5.170 -5.800 -1.138 1.00 0.00 O ATOM 1261 CB ALA A 82 2.591 -7.565 -2.179 1.00 0.00 C ATOM 0 H ALA A 82 4.888 -8.579 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 82 3.805 -6.920 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.840 -6.793 -2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.287 -8.483 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.685 -7.751 -1.109 1.00 0.00 H new ATOM 1267 N ALA A 83 3.938 -4.690 -2.675 1.00 0.00 N ATOM 1268 CA ALA A 83 4.302 -3.374 -2.180 1.00 0.00 C ATOM 1269 C ALA A 83 3.202 -2.862 -1.248 1.00 0.00 C ATOM 1270 O ALA A 83 2.142 -3.476 -1.136 1.00 0.00 O ATOM 1271 CB ALA A 83 4.549 -2.433 -3.361 1.00 0.00 C ATOM 0 H ALA A 83 3.306 -4.684 -3.476 1.00 0.00 H new ATOM 0 HA ALA A 83 5.226 -3.424 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.822 -1.446 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.359 -2.826 -3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.642 -2.356 -3.961 1.00 0.00 H new ATOM 1277 N PHE A 84 3.491 -1.741 -0.602 1.00 0.00 N ATOM 1278 CA PHE A 84 2.539 -1.140 0.316 1.00 0.00 C ATOM 1279 C PHE A 84 2.675 0.383 0.328 1.00 0.00 C ATOM 1280 O PHE A 84 3.786 0.911 0.340 1.00 0.00 O ATOM 1281 CB PHE A 84 2.861 -1.679 1.711 1.00 0.00 C ATOM 1282 CG PHE A 84 3.757 -2.920 1.707 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.226 -4.142 1.438 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.086 -2.799 1.973 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.057 -5.292 1.434 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.918 -3.951 1.969 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.385 -5.173 1.699 1.00 0.00 C ATOM 0 H PHE A 84 4.371 -1.234 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 84 1.522 -1.385 0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.348 -0.894 2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.928 -1.919 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.171 -4.238 1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.508 -1.828 2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.634 -6.263 1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.973 -3.856 2.180 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.017 -6.049 1.695 1.00 0.00 H new ATOM 1297 N ILE A 85 1.528 1.048 0.322 1.00 0.00 N ATOM 1298 CA ILE A 85 1.506 2.501 0.331 1.00 0.00 C ATOM 1299 C ILE A 85 0.970 2.990 1.678 1.00 0.00 C ATOM 1300 O ILE A 85 -0.075 2.531 2.138 1.00 0.00 O ATOM 1301 CB ILE A 85 0.724 3.032 -0.873 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.102 2.278 -2.148 1.00 0.00 C ATOM 1303 CG2 ILE A 85 0.908 4.543 -1.022 1.00 0.00 C ATOM 1304 CD1 ILE A 85 2.508 2.663 -2.616 1.00 0.00 C ATOM 0 H ILE A 85 0.608 0.607 0.311 1.00 0.00 H new ATOM 0 HA ILE A 85 2.515 2.899 0.226 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.337 2.853 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.056 1.204 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.380 2.500 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.342 4.895 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.548 5.044 -0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.965 4.769 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.752 2.113 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.543 3.733 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.231 2.418 -1.838 1.00 0.00 H new ATOM 1316 N ILE A 86 1.708 3.915 2.272 1.00 0.00 N ATOM 1317 CA ILE A 86 1.320 4.471 3.558 1.00 0.00 C ATOM 1318 C ILE A 86 1.346 5.998 3.476 1.00 0.00 C ATOM 1319 O ILE A 86 2.416 6.602 3.406 1.00 0.00 O ATOM 1320 CB ILE A 86 2.196 3.900 4.675 1.00 0.00 C ATOM 1321 CG1 ILE A 86 2.769 2.538 4.280 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.427 3.837 5.995 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.652 1.519 4.048 1.00 0.00 C ATOM 0 H ILE A 86 2.573 4.294 1.887 1.00 0.00 H new ATOM 0 HA ILE A 86 0.299 4.182 3.806 1.00 0.00 H new ATOM 0 HB ILE A 86 3.040 4.573 4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.367 2.640 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.436 2.179 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.072 3.428 6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.108 4.840 6.279 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.552 3.198 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.087 0.560 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.071 1.401 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.001 1.869 3.247 1.00 0.00 H new ATOM 1335 N LEU A 87 0.156 6.580 3.487 1.00 0.00 N ATOM 1336 CA LEU A 87 0.029 8.026 3.414 1.00 0.00 C ATOM 1337 C LEU A 87 -0.844 8.515 4.572 1.00 0.00 C ATOM 1338 O LEU A 87 -1.437 7.711 5.290 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.484 8.451 2.036 1.00 0.00 C ATOM 1340 CG LEU A 87 -2.004 8.472 1.864 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.614 7.112 2.205 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.633 9.603 2.680 1.00 0.00 C ATOM 0 H LEU A 87 -0.729 6.077 3.545 1.00 0.00 H new ATOM 0 HA LEU A 87 1.004 8.500 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.100 9.448 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.063 7.777 1.290 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.225 8.670 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.695 7.155 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.199 6.351 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.384 6.859 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.714 9.595 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.403 9.461 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.231 10.560 2.346 1.00 0.00 H new ATOM 1354 N THR A 88 -0.893 9.831 4.719 1.00 0.00 N ATOM 1355 CA THR A 88 -1.683 10.436 5.778 1.00 0.00 C ATOM 1356 C THR A 88 -2.346 11.722 5.279 1.00 0.00 C ATOM 1357 O THR A 88 -2.092 12.162 4.160 1.00 0.00 O ATOM 1358 CB THR A 88 -0.769 10.653 6.985 1.00 0.00 C ATOM 1359 OG1 THR A 88 -1.528 11.495 7.849 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.466 11.489 6.642 1.00 0.00 C ATOM 0 H THR A 88 -0.399 10.495 4.123 1.00 0.00 H new ATOM 0 HA THR A 88 -2.500 9.783 6.085 1.00 0.00 H new ATOM 0 HB THR A 88 -0.455 9.687 7.380 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.222 10.966 8.294 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.081 11.613 7.534 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.045 10.983 5.870 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.153 12.468 6.278 1.00 0.00 H new ATOM 1368 N ALA A 89 -3.184 12.289 6.136 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.884 13.516 5.797 1.00 0.00 C ATOM 1370 C ALA A 89 -2.864 14.617 5.504 1.00 0.00 C ATOM 1371 O ALA A 89 -3.205 15.644 4.918 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.836 13.891 6.934 1.00 0.00 C ATOM 0 H ALA A 89 -3.393 11.921 7.064 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.486 13.378 4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.361 14.812 6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.560 13.089 7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.266 14.040 7.851 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.633 14.366 5.923 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.560 15.324 5.712 1.00 0.00 C ATOM 1380 C GLN A 90 0.564 14.690 4.890 1.00 0.00 C ATOM 1381 O GLN A 90 0.583 14.807 3.666 1.00 0.00 O ATOM 1382 CB GLN A 90 -0.031 15.856 7.046 1.00 0.00 C ATOM 1383 CG GLN A 90 -1.021 16.838 7.676 1.00 0.00 C ATOM 1384 CD GLN A 90 -0.304 18.092 8.182 1.00 0.00 C ATOM 1385 OE1 GLN A 90 0.367 18.794 7.444 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -0.483 18.331 9.478 1.00 0.00 N ATOM 0 H GLN A 90 -1.354 13.513 6.408 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.959 16.170 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.146 15.025 7.728 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.928 16.350 6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.777 17.118 6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.542 16.355 8.502 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.058 17.702 10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.045 19.144 9.912 1.00 0.00 H new ATOM 1395 N GLY A 91 1.472 14.032 5.597 1.00 0.00 N ATOM 1396 CA GLY A 91 2.596 13.380 4.948 1.00 0.00 C ATOM 1397 C GLY A 91 3.630 12.917 5.976 1.00 0.00 C ATOM 1398 O GLY A 91 3.963 13.655 6.902 1.00 0.00 O ATOM 0 H GLY A 91 1.452 13.937 6.612 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.242 12.525 4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.062 14.068 4.243 1.00 0.00 H new ATOM 1402 N ASP A 92 4.110 11.698 5.779 1.00 0.00 N ATOM 1403 CA ASP A 92 5.099 11.129 6.678 1.00 0.00 C ATOM 1404 C ASP A 92 6.135 10.352 5.862 1.00 0.00 C ATOM 1405 O ASP A 92 6.088 9.124 5.799 1.00 0.00 O ATOM 1406 CB ASP A 92 4.450 10.157 7.666 1.00 0.00 C ATOM 1407 CG ASP A 92 3.320 10.751 8.509 1.00 0.00 C ATOM 1408 OD1 ASP A 92 3.198 11.995 8.499 1.00 0.00 O ATOM 1409 OD2 ASP A 92 2.605 9.948 9.147 1.00 0.00 O ATOM 0 H ASP A 92 3.832 11.089 5.010 1.00 0.00 H new ATOM 0 HA ASP A 92 5.565 11.946 7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.059 9.305 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.220 9.775 8.336 1.00 0.00 H new ATOM 1414 N ARG A 93 7.047 11.100 5.259 1.00 0.00 N ATOM 1415 CA ARG A 93 8.093 10.497 4.450 1.00 0.00 C ATOM 1416 C ARG A 93 8.941 9.549 5.300 1.00 0.00 C ATOM 1417 O ARG A 93 9.380 8.504 4.821 1.00 0.00 O ATOM 1418 CB ARG A 93 8.997 11.566 3.833 1.00 0.00 C ATOM 1419 CG ARG A 93 8.259 12.349 2.747 1.00 0.00 C ATOM 1420 CD ARG A 93 9.243 12.988 1.765 1.00 0.00 C ATOM 1421 NE ARG A 93 9.155 14.463 1.848 1.00 0.00 N ATOM 1422 CZ ARG A 93 9.821 15.206 2.744 1.00 0.00 C ATOM 1423 NH1 ARG A 93 10.625 14.616 3.637 1.00 0.00 N ATOM 1424 NH2 ARG A 93 9.680 16.538 2.744 1.00 0.00 N ATOM 0 H ARG A 93 7.084 12.118 5.314 1.00 0.00 H new ATOM 0 HA ARG A 93 7.611 9.938 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.340 12.250 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.884 11.096 3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.584 11.683 2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.644 13.123 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.258 12.663 1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.022 12.659 0.750 1.00 0.00 H new ATOM 0 HE ARG A 93 8.550 14.944 1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.731 13.602 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.132 15.181 4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.067 16.986 2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.186 17.104 3.425 1.00 0.00 H new ATOM 1438 N ALA A 94 9.147 9.948 6.547 1.00 0.00 N ATOM 1439 CA ALA A 94 9.935 9.147 7.468 1.00 0.00 C ATOM 1440 C ALA A 94 9.216 7.822 7.730 1.00 0.00 C ATOM 1441 O ALA A 94 9.851 6.772 7.809 1.00 0.00 O ATOM 1442 CB ALA A 94 10.181 9.941 8.753 1.00 0.00 C ATOM 0 H ALA A 94 8.782 10.815 6.941 1.00 0.00 H new ATOM 0 HA ALA A 94 10.909 8.914 7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.772 9.340 9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.720 10.858 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.226 10.191 9.215 1.00 0.00 H new ATOM 1448 N LEU A 95 7.900 7.915 7.857 1.00 0.00 N ATOM 1449 CA LEU A 95 7.087 6.737 8.107 1.00 0.00 C ATOM 1450 C LEU A 95 7.290 5.732 6.971 1.00 0.00 C ATOM 1451 O LEU A 95 7.591 4.565 7.217 1.00 0.00 O ATOM 1452 CB LEU A 95 5.626 7.131 8.327 1.00 0.00 C ATOM 1453 CG LEU A 95 5.289 7.725 9.697 1.00 0.00 C ATOM 1454 CD1 LEU A 95 4.778 6.645 10.652 1.00 0.00 C ATOM 1455 CD2 LEU A 95 6.487 8.482 10.275 1.00 0.00 C ATOM 0 H LEU A 95 7.377 8.788 7.791 1.00 0.00 H new ATOM 0 HA LEU A 95 7.402 6.245 9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.346 7.854 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.005 6.248 8.173 1.00 0.00 H new ATOM 0 HG LEU A 95 4.483 8.447 9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.546 7.094 11.618 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.879 6.189 10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.545 5.881 10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.222 8.894 11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.329 7.799 10.387 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.765 9.293 9.601 1.00 0.00 H new ATOM 1467 N VAL A 96 7.116 6.222 5.753 1.00 0.00 N ATOM 1468 CA VAL A 96 7.276 5.381 4.579 1.00 0.00 C ATOM 1469 C VAL A 96 8.733 4.928 4.476 1.00 0.00 C ATOM 1470 O VAL A 96 9.016 3.731 4.482 1.00 0.00 O ATOM 1471 CB VAL A 96 6.792 6.126 3.333 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.738 5.892 2.153 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.360 5.724 2.976 1.00 0.00 C ATOM 0 H VAL A 96 6.866 7.190 5.553 1.00 0.00 H new ATOM 0 HA VAL A 96 6.662 4.484 4.665 1.00 0.00 H new ATOM 0 HB VAL A 96 6.794 7.193 3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.371 6.432 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.735 6.250 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.782 4.826 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.040 6.268 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.321 4.653 2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.697 5.965 3.807 1.00 0.00 H new ATOM 1483 N GLN A 97 9.619 5.908 4.385 1.00 0.00 N ATOM 1484 CA GLN A 97 11.041 5.625 4.281 1.00 0.00 C ATOM 1485 C GLN A 97 11.461 4.621 5.357 1.00 0.00 C ATOM 1486 O GLN A 97 12.392 3.842 5.153 1.00 0.00 O ATOM 1487 CB GLN A 97 11.865 6.909 4.378 1.00 0.00 C ATOM 1488 CG GLN A 97 11.638 7.800 3.155 1.00 0.00 C ATOM 1489 CD GLN A 97 12.967 8.174 2.495 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.347 9.331 2.419 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.649 7.134 2.025 1.00 0.00 N ATOM 0 H GLN A 97 9.380 6.900 4.381 1.00 0.00 H new ATOM 0 HA GLN A 97 11.233 5.183 3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.594 7.452 5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.923 6.661 4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.004 7.282 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.108 8.705 3.453 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.272 6.191 2.122 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.549 7.279 1.567 1.00 0.00 H new ATOM 1500 N LYS A 98 10.757 4.671 6.476 1.00 0.00 N ATOM 1501 CA LYS A 98 11.045 3.777 7.585 1.00 0.00 C ATOM 1502 C LYS A 98 10.687 2.345 7.184 1.00 0.00 C ATOM 1503 O LYS A 98 11.497 1.431 7.340 1.00 0.00 O ATOM 1504 CB LYS A 98 10.342 4.254 8.857 1.00 0.00 C ATOM 1505 CG LYS A 98 11.263 5.148 9.691 1.00 0.00 C ATOM 1506 CD LYS A 98 11.249 4.727 11.161 1.00 0.00 C ATOM 1507 CE LYS A 98 11.854 5.817 12.048 1.00 0.00 C ATOM 1508 NZ LYS A 98 13.333 5.757 12.009 1.00 0.00 N ATOM 0 H LYS A 98 9.986 5.318 6.640 1.00 0.00 H new ATOM 0 HA LYS A 98 12.110 3.788 7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.438 4.803 8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.031 3.393 9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.280 5.092 9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.945 6.187 9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.225 4.524 11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.810 3.800 11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.515 6.797 11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.506 5.694 13.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.727 6.504 12.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.652 4.828 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.660 5.897 11.032 1.00 0.00 H new ATOM 1522 N ALA A 99 9.472 2.192 6.676 1.00 0.00 N ATOM 1523 CA ALA A 99 8.997 0.887 6.253 1.00 0.00 C ATOM 1524 C ALA A 99 10.002 0.274 5.275 1.00 0.00 C ATOM 1525 O ALA A 99 10.417 -0.872 5.444 1.00 0.00 O ATOM 1526 CB ALA A 99 7.600 1.025 5.642 1.00 0.00 C ATOM 0 H ALA A 99 8.803 2.951 6.548 1.00 0.00 H new ATOM 0 HA ALA A 99 8.915 0.214 7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.243 0.045 5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.917 1.436 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.644 1.692 4.781 1.00 0.00 H new ATOM 1532 N ALA A 100 10.366 1.066 4.277 1.00 0.00 N ATOM 1533 CA ALA A 100 11.315 0.615 3.273 1.00 0.00 C ATOM 1534 C ALA A 100 12.592 0.134 3.965 1.00 0.00 C ATOM 1535 O ALA A 100 13.141 -0.907 3.607 1.00 0.00 O ATOM 1536 CB ALA A 100 11.582 1.748 2.279 1.00 0.00 C ATOM 0 H ALA A 100 10.021 2.016 4.142 1.00 0.00 H new ATOM 0 HA ALA A 100 10.909 -0.225 2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.294 1.411 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.649 2.034 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.994 2.607 2.809 1.00 0.00 H new ATOM 1542 N ALA A 101 13.027 0.914 4.945 1.00 0.00 N ATOM 1543 CA ALA A 101 14.229 0.579 5.689 1.00 0.00 C ATOM 1544 C ALA A 101 13.979 -0.689 6.509 1.00 0.00 C ATOM 1545 O ALA A 101 14.781 -1.621 6.477 1.00 0.00 O ATOM 1546 CB ALA A 101 14.636 1.767 6.562 1.00 0.00 C ATOM 0 H ALA A 101 12.569 1.776 5.240 1.00 0.00 H new ATOM 0 HA ALA A 101 15.057 0.375 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.538 1.516 7.120 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.830 2.634 5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.831 1.999 7.259 1.00 0.00 H new ATOM 1552 N LEU A 102 12.865 -0.682 7.225 1.00 0.00 N ATOM 1553 CA LEU A 102 12.499 -1.819 8.052 1.00 0.00 C ATOM 1554 C LEU A 102 12.839 -3.114 7.310 1.00 0.00 C ATOM 1555 O LEU A 102 13.433 -4.025 7.885 1.00 0.00 O ATOM 1556 CB LEU A 102 11.034 -1.722 8.479 1.00 0.00 C ATOM 1557 CG LEU A 102 10.764 -0.964 9.781 1.00 0.00 C ATOM 1558 CD1 LEU A 102 11.301 -1.735 10.987 1.00 0.00 C ATOM 1559 CD2 LEU A 102 11.324 0.458 9.713 1.00 0.00 C ATOM 0 H LEU A 102 12.203 0.094 7.250 1.00 0.00 H new ATOM 0 HA LEU A 102 13.077 -1.819 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.474 -1.240 7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.638 -2.732 8.581 1.00 0.00 H new ATOM 0 HG LEU A 102 9.685 -0.879 9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.096 -1.174 11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.814 -2.708 11.043 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.377 -1.873 10.881 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.119 0.975 10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.401 0.418 9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.852 0.996 8.891 1.00 0.00 H new ATOM 1571 N GLY A 103 12.448 -3.153 6.045 1.00 0.00 N ATOM 1572 CA GLY A 103 12.704 -4.321 5.219 1.00 0.00 C ATOM 1573 C GLY A 103 11.479 -4.672 4.372 1.00 0.00 C ATOM 1574 O GLY A 103 11.078 -5.832 4.304 1.00 0.00 O ATOM 0 H GLY A 103 11.956 -2.395 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.558 -4.131 4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.968 -5.168 5.852 1.00 0.00 H new ATOM 1578 N ALA A 104 10.920 -3.647 3.746 1.00 0.00 N ATOM 1579 CA ALA A 104 9.748 -3.832 2.906 1.00 0.00 C ATOM 1580 C ALA A 104 10.191 -3.992 1.449 1.00 0.00 C ATOM 1581 O ALA A 104 11.283 -3.565 1.078 1.00 0.00 O ATOM 1582 CB ALA A 104 8.790 -2.655 3.097 1.00 0.00 C ATOM 0 H ALA A 104 11.256 -2.686 3.803 1.00 0.00 H new ATOM 0 HA ALA A 104 9.212 -4.737 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.912 -2.795 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.482 -2.602 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.292 -1.728 2.819 1.00 0.00 H new ATOM 1588 N ASN A 105 9.321 -4.610 0.664 1.00 0.00 N ATOM 1589 CA ASN A 105 9.608 -4.832 -0.743 1.00 0.00 C ATOM 1590 C ASN A 105 9.539 -3.497 -1.489 1.00 0.00 C ATOM 1591 O ASN A 105 10.451 -3.157 -2.242 1.00 0.00 O ATOM 1592 CB ASN A 105 8.584 -5.778 -1.372 1.00 0.00 C ATOM 1593 CG ASN A 105 9.065 -6.281 -2.733 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.089 -6.933 -2.857 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.273 -5.942 -3.746 1.00 0.00 N ATOM 0 H ASN A 105 8.417 -4.964 0.976 1.00 0.00 H new ATOM 0 HA ASN A 105 10.601 -5.274 -0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.410 -6.625 -0.708 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.630 -5.263 -1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.509 -6.229 -4.696 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.430 -5.395 -3.573 1.00 0.00 H new ATOM 1602 N ASN A 106 8.451 -2.779 -1.255 1.00 0.00 N ATOM 1603 CA ASN A 106 8.252 -1.491 -1.897 1.00 0.00 C ATOM 1604 C ASN A 106 7.133 -0.736 -1.177 1.00 0.00 C ATOM 1605 O ASN A 106 5.981 -1.167 -1.187 1.00 0.00 O ATOM 1606 CB ASN A 106 7.842 -1.661 -3.361 1.00 0.00 C ATOM 1607 CG ASN A 106 8.917 -1.111 -4.299 1.00 0.00 C ATOM 1608 OD1 ASN A 106 8.725 -0.127 -4.995 1.00 0.00 O ATOM 1609 ND2 ASN A 106 10.055 -1.799 -4.280 1.00 0.00 N ATOM 0 H ASN A 106 7.698 -3.065 -0.629 1.00 0.00 H new ATOM 0 HA ASN A 106 9.192 -0.941 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.673 -2.716 -3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.899 -1.145 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.834 -1.512 -4.872 1.00 0.00 H new ATOM 0 HD22 ASN A 106 10.148 -2.614 -3.673 1.00 0.00 H new ATOM 1616 N VAL A 107 7.511 0.379 -0.569 1.00 0.00 N ATOM 1617 CA VAL A 107 6.554 1.199 0.155 1.00 0.00 C ATOM 1618 C VAL A 107 6.682 2.652 -0.308 1.00 0.00 C ATOM 1619 O VAL A 107 7.774 3.217 -0.297 1.00 0.00 O ATOM 1620 CB VAL A 107 6.757 1.031 1.662 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.156 1.485 2.082 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.678 1.783 2.447 1.00 0.00 C ATOM 0 H VAL A 107 8.467 0.734 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 107 5.535 0.878 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 107 6.665 -0.030 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.273 1.355 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.904 0.888 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.289 2.536 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.845 1.648 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.725 2.845 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.696 1.393 2.181 1.00 0.00 H new ATOM 1632 N LEU A 108 5.549 3.216 -0.702 1.00 0.00 N ATOM 1633 CA LEU A 108 5.520 4.591 -1.167 1.00 0.00 C ATOM 1634 C LEU A 108 4.531 5.391 -0.317 1.00 0.00 C ATOM 1635 O LEU A 108 3.518 4.857 0.132 1.00 0.00 O ATOM 1636 CB LEU A 108 5.224 4.643 -2.667 1.00 0.00 C ATOM 1637 CG LEU A 108 6.398 4.324 -3.593 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.666 5.051 -3.141 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.613 2.814 -3.707 1.00 0.00 C ATOM 0 H LEU A 108 4.645 2.745 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 108 6.498 5.056 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.417 3.943 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.855 5.640 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 108 6.155 4.690 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.486 4.807 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.493 6.127 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.924 4.738 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.454 2.615 -4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.824 2.401 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.714 2.348 -4.110 1.00 0.00 H new ATOM 1651 N ALA A 109 4.858 6.660 -0.121 1.00 0.00 N ATOM 1652 CA ALA A 109 4.012 7.539 0.667 1.00 0.00 C ATOM 1653 C ALA A 109 3.288 8.513 -0.264 1.00 0.00 C ATOM 1654 O ALA A 109 3.566 8.555 -1.462 1.00 0.00 O ATOM 1655 CB ALA A 109 4.860 8.258 1.717 1.00 0.00 C ATOM 0 H ALA A 109 5.698 7.101 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 109 3.253 6.965 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.225 8.918 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.329 7.523 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.632 8.846 1.221 1.00 0.00 H new ATOM 1661 N LYS A 110 2.374 9.273 0.320 1.00 0.00 N ATOM 1662 CA LYS A 110 1.608 10.244 -0.443 1.00 0.00 C ATOM 1663 C LYS A 110 1.597 11.579 0.304 1.00 0.00 C ATOM 1664 O LYS A 110 0.548 12.032 0.759 1.00 0.00 O ATOM 1665 CB LYS A 110 0.210 9.701 -0.751 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.258 10.151 -2.137 1.00 0.00 C ATOM 1667 CD LYS A 110 -1.735 10.552 -2.111 1.00 0.00 C ATOM 1668 CE LYS A 110 -1.923 11.985 -2.613 1.00 0.00 C ATOM 1669 NZ LYS A 110 -2.874 12.717 -1.748 1.00 0.00 N ATOM 0 H LYS A 110 2.146 9.236 1.314 1.00 0.00 H new ATOM 0 HA LYS A 110 2.076 10.423 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.220 8.612 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.494 10.048 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.346 10.994 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.108 9.345 -2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.313 9.867 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.121 10.465 -1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.963 12.501 -2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.291 11.972 -3.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.990 13.688 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.794 12.233 -1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.507 12.746 -0.775 1.00 0.00 H new ATOM 1683 N PRO A 111 2.809 12.188 0.410 1.00 0.00 N ATOM 1684 CA PRO A 111 2.949 13.462 1.093 1.00 0.00 C ATOM 1685 C PRO A 111 2.410 14.608 0.234 1.00 0.00 C ATOM 1686 O PRO A 111 1.650 14.378 -0.707 1.00 0.00 O ATOM 1687 CB PRO A 111 4.435 13.589 1.387 1.00 0.00 C ATOM 1688 CG PRO A 111 5.129 12.612 0.454 1.00 0.00 C ATOM 1689 CD PRO A 111 4.072 11.681 -0.117 1.00 0.00 C ATOM 0 HA PRO A 111 2.368 13.511 2.014 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.782 14.608 1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.649 13.352 2.429 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.640 13.146 -0.347 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.888 12.044 0.992 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.080 11.694 -1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.244 10.650 0.191 1.00 0.00 H new ATOM 1697 N PHE A 112 2.824 15.816 0.588 1.00 0.00 N ATOM 1698 CA PHE A 112 2.391 16.997 -0.140 1.00 0.00 C ATOM 1699 C PHE A 112 3.354 17.318 -1.285 1.00 0.00 C ATOM 1700 O PHE A 112 3.373 18.441 -1.787 1.00 0.00 O ATOM 1701 CB PHE A 112 2.393 18.160 0.855 1.00 0.00 C ATOM 1702 CG PHE A 112 1.009 18.514 1.401 1.00 0.00 C ATOM 1703 CD1 PHE A 112 0.468 17.780 2.410 1.00 0.00 C ATOM 1704 CD2 PHE A 112 0.320 19.564 0.878 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -0.816 18.109 2.917 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -0.965 19.892 1.385 1.00 0.00 C ATOM 1707 CZ PHE A 112 -1.506 19.158 2.394 1.00 0.00 C ATOM 0 H PHE A 112 3.454 16.002 1.368 1.00 0.00 H new ATOM 0 HA PHE A 112 1.403 16.830 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.048 17.910 1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.817 19.039 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.015 16.947 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.750 20.148 0.078 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.245 17.526 3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.513 20.725 0.969 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.483 19.408 2.780 1.00 0.00 H new ATOM 1717 N THR A 113 4.128 16.313 -1.665 1.00 0.00 N ATOM 1718 CA THR A 113 5.090 16.475 -2.741 1.00 0.00 C ATOM 1719 C THR A 113 4.797 15.486 -3.872 1.00 0.00 C ATOM 1720 O THR A 113 5.256 14.346 -3.841 1.00 0.00 O ATOM 1721 CB THR A 113 6.492 16.320 -2.149 1.00 0.00 C ATOM 1722 OG1 THR A 113 7.321 16.068 -3.281 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.632 15.059 -1.295 1.00 0.00 C ATOM 0 H THR A 113 4.109 15.383 -1.247 1.00 0.00 H new ATOM 0 HA THR A 113 5.018 17.466 -3.190 1.00 0.00 H new ATOM 0 HB THR A 113 6.729 17.195 -1.544 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.249 15.956 -2.988 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.646 14.998 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.922 15.098 -0.469 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.428 14.181 -1.907 1.00 0.00 H new ATOM 1731 N ILE A 114 4.032 15.960 -4.845 1.00 0.00 N ATOM 1732 CA ILE A 114 3.670 15.132 -5.983 1.00 0.00 C ATOM 1733 C ILE A 114 4.938 14.530 -6.592 1.00 0.00 C ATOM 1734 O ILE A 114 4.900 13.441 -7.164 1.00 0.00 O ATOM 1735 CB ILE A 114 2.828 15.930 -6.980 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.633 17.088 -7.574 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.524 16.408 -6.339 1.00 0.00 C ATOM 1738 CD1 ILE A 114 3.896 16.866 -9.065 1.00 0.00 C ATOM 0 H ILE A 114 3.653 16.907 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 114 3.041 14.300 -5.665 1.00 0.00 H new ATOM 0 HB ILE A 114 2.558 15.269 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 114 3.091 18.023 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.581 17.186 -7.045 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.945 16.973 -7.070 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.946 15.547 -6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.751 17.046 -5.485 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.470 17.704 -9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.459 15.943 -9.202 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.946 16.793 -9.595 1.00 0.00 H new ATOM 1750 N GLU A 115 6.032 15.264 -6.449 1.00 0.00 N ATOM 1751 CA GLU A 115 7.309 14.816 -6.979 1.00 0.00 C ATOM 1752 C GLU A 115 7.750 13.529 -6.281 1.00 0.00 C ATOM 1753 O GLU A 115 8.258 12.612 -6.925 1.00 0.00 O ATOM 1754 CB GLU A 115 8.372 15.907 -6.841 1.00 0.00 C ATOM 1755 CG GLU A 115 9.586 15.603 -7.721 1.00 0.00 C ATOM 1756 CD GLU A 115 10.761 15.098 -6.879 1.00 0.00 C ATOM 1757 OE1 GLU A 115 11.202 15.870 -6.000 1.00 0.00 O ATOM 1758 OE2 GLU A 115 11.190 13.953 -7.135 1.00 0.00 O ATOM 0 H GLU A 115 6.060 16.166 -5.974 1.00 0.00 H new ATOM 0 HA GLU A 115 7.187 14.606 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.947 16.871 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.684 15.986 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.320 14.854 -8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.882 16.502 -8.262 1.00 0.00 H new ATOM 1765 N LYS A 116 7.540 13.500 -4.973 1.00 0.00 N ATOM 1766 CA LYS A 116 7.910 12.339 -4.180 1.00 0.00 C ATOM 1767 C LYS A 116 6.895 11.219 -4.420 1.00 0.00 C ATOM 1768 O LYS A 116 7.262 10.126 -4.844 1.00 0.00 O ATOM 1769 CB LYS A 116 8.065 12.724 -2.708 1.00 0.00 C ATOM 1770 CG LYS A 116 9.303 12.065 -2.096 1.00 0.00 C ATOM 1771 CD LYS A 116 10.533 12.963 -2.247 1.00 0.00 C ATOM 1772 CE LYS A 116 10.807 13.736 -0.955 1.00 0.00 C ATOM 1773 NZ LYS A 116 12.131 14.397 -1.018 1.00 0.00 N ATOM 0 H LYS A 116 7.118 14.262 -4.442 1.00 0.00 H new ATOM 0 HA LYS A 116 8.883 11.959 -4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.144 13.807 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.176 12.422 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.126 11.859 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.486 11.106 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.402 12.357 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.379 13.663 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.028 14.482 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.773 13.057 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.302 14.917 -0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.872 13.678 -1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.150 15.060 -1.819 1.00 0.00 H new ATOM 1787 N MET A 117 5.639 11.533 -4.137 1.00 0.00 N ATOM 1788 CA MET A 117 4.569 10.566 -4.316 1.00 0.00 C ATOM 1789 C MET A 117 4.561 10.015 -5.743 1.00 0.00 C ATOM 1790 O MET A 117 4.603 8.802 -5.945 1.00 0.00 O ATOM 1791 CB MET A 117 3.224 11.232 -4.018 1.00 0.00 C ATOM 1792 CG MET A 117 2.065 10.270 -4.285 1.00 0.00 C ATOM 1793 SD MET A 117 0.701 11.149 -5.029 1.00 0.00 S ATOM 1794 CE MET A 117 0.933 10.690 -6.738 1.00 0.00 C ATOM 0 H MET A 117 5.339 12.442 -3.785 1.00 0.00 H new ATOM 0 HA MET A 117 4.735 9.737 -3.628 1.00 0.00 H new ATOM 0 HB2 MET A 117 3.198 11.558 -2.978 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.111 12.123 -4.635 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.393 9.466 -4.944 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.744 9.806 -3.352 1.00 0.00 H new ATOM 0 HE1 MET A 117 0.075 11.021 -7.323 1.00 0.00 H new ATOM 0 HE2 MET A 117 1.838 11.161 -7.122 1.00 0.00 H new ATOM 0 HE3 MET A 117 1.028 9.607 -6.814 1.00 0.00 H new ATOM 1804 N LYS A 118 4.506 10.933 -6.697 1.00 0.00 N ATOM 1805 CA LYS A 118 4.492 10.555 -8.100 1.00 0.00 C ATOM 1806 C LYS A 118 5.729 9.710 -8.409 1.00 0.00 C ATOM 1807 O LYS A 118 5.611 8.572 -8.864 1.00 0.00 O ATOM 1808 CB LYS A 118 4.356 11.793 -8.988 1.00 0.00 C ATOM 1809 CG LYS A 118 3.959 11.405 -10.414 1.00 0.00 C ATOM 1810 CD LYS A 118 4.666 12.292 -11.441 1.00 0.00 C ATOM 1811 CE LYS A 118 4.061 13.698 -11.460 1.00 0.00 C ATOM 1812 NZ LYS A 118 3.914 14.179 -12.852 1.00 0.00 N ATOM 0 H LYS A 118 4.471 11.938 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 118 3.621 9.937 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.607 12.465 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.300 12.338 -9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.213 10.360 -10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 118 2.879 11.496 -10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.728 12.352 -11.205 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.585 11.844 -12.431 1.00 0.00 H new ATOM 0 HE2 LYS A 118 3.089 13.689 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 118 4.697 14.382 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 3.502 15.134 -12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.847 14.206 -13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 3.289 13.535 -13.378 1.00 0.00 H new ATOM 1826 N ALA A 119 6.887 10.297 -8.148 1.00 0.00 N ATOM 1827 CA ALA A 119 8.145 9.612 -8.392 1.00 0.00 C ATOM 1828 C ALA A 119 8.159 8.289 -7.624 1.00 0.00 C ATOM 1829 O ALA A 119 8.709 7.296 -8.098 1.00 0.00 O ATOM 1830 CB ALA A 119 9.309 10.525 -8.000 1.00 0.00 C ATOM 0 H ALA A 119 6.981 11.240 -7.770 1.00 0.00 H new ATOM 0 HA ALA A 119 8.255 9.380 -9.451 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.252 10.011 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.272 11.438 -8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.233 10.778 -6.942 1.00 0.00 H new ATOM 1836 N ALA A 120 7.546 8.317 -6.449 1.00 0.00 N ATOM 1837 CA ALA A 120 7.481 7.133 -5.610 1.00 0.00 C ATOM 1838 C ALA A 120 6.794 6.004 -6.382 1.00 0.00 C ATOM 1839 O ALA A 120 7.361 4.924 -6.543 1.00 0.00 O ATOM 1840 CB ALA A 120 6.757 7.471 -4.305 1.00 0.00 C ATOM 0 H ALA A 120 7.090 9.142 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 120 8.483 6.792 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.708 6.583 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.300 8.258 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.747 7.814 -4.528 1.00 0.00 H new ATOM 1846 N ILE A 121 5.585 6.293 -6.839 1.00 0.00 N ATOM 1847 CA ILE A 121 4.816 5.315 -7.590 1.00 0.00 C ATOM 1848 C ILE A 121 5.608 4.892 -8.828 1.00 0.00 C ATOM 1849 O ILE A 121 5.657 3.709 -9.164 1.00 0.00 O ATOM 1850 CB ILE A 121 3.423 5.860 -7.909 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.355 6.391 -9.343 1.00 0.00 C ATOM 1852 CG2 ILE A 121 3.000 6.917 -6.888 1.00 0.00 C ATOM 1853 CD1 ILE A 121 1.933 6.821 -9.704 1.00 0.00 C ATOM 0 H ILE A 121 5.119 7.190 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 121 4.654 4.418 -6.993 1.00 0.00 H new ATOM 0 HB ILE A 121 2.711 5.037 -7.836 1.00 0.00 H new ATOM 0 HG12 ILE A 121 4.033 7.237 -9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.692 5.620 -10.036 1.00 0.00 H new ATOM 0 HG21 ILE A 121 2.006 7.288 -7.139 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.982 6.474 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.710 7.744 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.915 7.194 -10.728 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.261 5.967 -9.617 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.608 7.609 -9.025 1.00 0.00 H new ATOM 1865 N GLU A 122 6.211 5.880 -9.473 1.00 0.00 N ATOM 1866 CA GLU A 122 7.000 5.623 -10.667 1.00 0.00 C ATOM 1867 C GLU A 122 8.093 4.595 -10.370 1.00 0.00 C ATOM 1868 O GLU A 122 8.619 3.961 -11.284 1.00 0.00 O ATOM 1869 CB GLU A 122 7.600 6.919 -11.215 1.00 0.00 C ATOM 1870 CG GLU A 122 6.506 7.853 -11.735 1.00 0.00 C ATOM 1871 CD GLU A 122 6.987 8.633 -12.961 1.00 0.00 C ATOM 1872 OE1 GLU A 122 8.008 9.341 -12.818 1.00 0.00 O ATOM 1873 OE2 GLU A 122 6.324 8.504 -14.012 1.00 0.00 O ATOM 0 H GLU A 122 6.169 6.860 -9.192 1.00 0.00 H new ATOM 0 HA GLU A 122 6.342 5.213 -11.433 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.169 7.420 -10.432 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.299 6.689 -12.019 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.620 7.273 -11.993 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.213 8.549 -10.949 1.00 0.00 H new ATOM 1880 N ALA A 123 8.402 4.460 -9.089 1.00 0.00 N ATOM 1881 CA ALA A 123 9.423 3.519 -8.661 1.00 0.00 C ATOM 1882 C ALA A 123 8.781 2.152 -8.416 1.00 0.00 C ATOM 1883 O ALA A 123 9.278 1.135 -8.894 1.00 0.00 O ATOM 1884 CB ALA A 123 10.129 4.063 -7.416 1.00 0.00 C ATOM 0 H ALA A 123 7.963 4.986 -8.333 1.00 0.00 H new ATOM 0 HA ALA A 123 10.179 3.394 -9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.895 3.357 -7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.593 5.021 -7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.402 4.199 -6.615 1.00 0.00 H new ATOM 1890 N VAL A 124 7.685 2.174 -7.671 1.00 0.00 N ATOM 1891 CA VAL A 124 6.969 0.948 -7.358 1.00 0.00 C ATOM 1892 C VAL A 124 6.491 0.296 -8.656 1.00 0.00 C ATOM 1893 O VAL A 124 6.398 -0.928 -8.742 1.00 0.00 O ATOM 1894 CB VAL A 124 5.828 1.245 -6.381 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.488 1.328 -7.115 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.779 0.200 -5.264 1.00 0.00 C ATOM 0 H VAL A 124 7.276 3.020 -7.275 1.00 0.00 H new ATOM 0 HA VAL A 124 7.628 0.236 -6.861 1.00 0.00 H new ATOM 0 HB VAL A 124 6.020 2.215 -5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.694 1.540 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.529 2.124 -7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.286 0.379 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.960 0.433 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.621 -0.788 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.721 0.209 -4.715 1.00 0.00 H new ATOM 1906 N PHE A 125 6.201 1.141 -9.634 1.00 0.00 N ATOM 1907 CA PHE A 125 5.735 0.661 -10.924 1.00 0.00 C ATOM 1908 C PHE A 125 6.910 0.381 -11.863 1.00 0.00 C ATOM 1909 O PHE A 125 6.735 -0.226 -12.918 1.00 0.00 O ATOM 1910 CB PHE A 125 4.868 1.768 -11.526 1.00 0.00 C ATOM 1911 CG PHE A 125 3.656 2.144 -10.673 1.00 0.00 C ATOM 1912 CD1 PHE A 125 3.251 1.323 -9.666 1.00 0.00 C ATOM 1913 CD2 PHE A 125 2.981 3.299 -10.921 1.00 0.00 C ATOM 1914 CE1 PHE A 125 2.126 1.672 -8.874 1.00 0.00 C ATOM 1915 CE2 PHE A 125 1.855 3.648 -10.128 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.451 2.826 -9.122 1.00 0.00 C ATOM 0 H PHE A 125 6.280 2.155 -9.559 1.00 0.00 H new ATOM 0 HA PHE A 125 5.179 -0.268 -10.796 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.483 2.655 -11.676 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.522 1.450 -12.510 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.786 0.406 -9.469 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.301 3.951 -11.721 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.806 1.021 -8.074 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.320 4.566 -10.324 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.594 3.090 -8.520 1.00 0.00 H new