USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 35 HIS : no HE2:sc= -2.12 K(o=-3.3,f=-6) USER MOD Set 1.2: A 79 TYR OH : rot -112:sc= -1.23 USER MOD Set 2.1: A 16 TYR OH : rot -171:sc= 0.604 USER MOD Set 2.2: A 68 SER OG : rot -110:sc= -1.52! USER MOD Set 2.3: A 72 LYS NZ :NH3+ 161:sc= -0.0426 (180deg=-0.435) USER MOD Set 3.1: A 45 GLN : amide:sc= -1.52 K(o=-1.7,f=-0.73) USER MOD Set 3.2: A 49 ASN : amide:sc= -0.164 K(o=-1.7,f=-0.73) USER MOD Set 4.1: A 9 LYS NZ :NH3+ 132:sc= 0.224 (180deg=-3.58!) USER MOD Set 4.2: A 10 MET CE :methyl 161:sc= -0.1 (180deg=-0.785) USER MOD Single : A 2 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.22) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 8 SER OG : rot 88:sc= 1.2 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -6.44! C(o=-6.4!,f=-12!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.091 USER MOD Single : A 29 ASN : amide:sc= 0.676 K(o=0.68,f=-7.7!) USER MOD Single : A 36 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 37 GLN : amide:sc= 0.169 X(o=0.17,f=-0.32) USER MOD Single : A 39 GLN : amide:sc= 0.842 K(o=0.84,f=-0.3) USER MOD Single : A 40 SER OG : rot 180:sc= 0.273 USER MOD Single : A 41 SER OG : rot -134:sc= 0.222 USER MOD Single : A 46 THR OG1 : rot 100:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ 162:sc= 0.146 (180deg=-0.147) USER MOD Single : A 59 HIS : no HD1:sc= -0.123 K(o=-0.12,f=-1.4) USER MOD Single : A 60 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.4) USER MOD Single : A 62 ASN : amide:sc= -2.86! K(o=-2.9!,f=-1.7) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -5.32! C(o=-5.3!,f=-7.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 76 ASN : amide:sc= -2.21 K(o=-2.2,f=-0.54) USER MOD Single : A 80 THR OG1 : rot -13:sc= 0.722! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ASN A 2 -7.305 -0.769 11.334 1.00 0.00 N ATOM 23 CA ASN A 2 -7.897 0.597 11.060 1.00 0.00 C ATOM 24 C ASN A 2 -6.889 1.502 10.305 1.00 0.00 C ATOM 25 O ASN A 2 -5.709 1.224 10.294 1.00 0.00 O ATOM 26 CB ASN A 2 -8.310 1.229 12.416 1.00 0.00 C ATOM 27 CG ASN A 2 -9.265 2.395 12.139 1.00 0.00 C ATOM 28 OD1 ASN A 2 -10.299 2.255 11.527 1.00 0.00 O ATOM 29 ND2 ASN A 2 -8.978 3.581 12.557 1.00 0.00 N ATOM 0 HA ASN A 2 -8.773 0.497 10.418 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.794 0.485 13.049 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.429 1.580 12.954 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -9.613 4.356 12.367 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.116 3.744 13.077 1.00 0.00 H new ATOM 36 N CYS A 3 -7.353 2.557 9.693 1.00 0.00 N ATOM 37 CA CYS A 3 -6.456 3.504 8.928 1.00 0.00 C ATOM 38 C CYS A 3 -5.048 3.806 9.497 1.00 0.00 C ATOM 39 O CYS A 3 -4.032 3.521 8.890 1.00 0.00 O ATOM 40 CB CYS A 3 -7.199 4.815 8.770 1.00 0.00 C ATOM 41 SG CYS A 3 -6.303 6.161 7.963 1.00 0.00 S ATOM 0 H CYS A 3 -8.339 2.818 9.685 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.245 2.978 7.997 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.110 4.624 8.203 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.505 5.155 9.760 1.00 0.00 H new ATOM 46 N GLY A 4 -5.039 4.389 10.667 1.00 0.00 N ATOM 47 CA GLY A 4 -3.733 4.740 11.329 1.00 0.00 C ATOM 48 C GLY A 4 -2.734 3.600 11.254 1.00 0.00 C ATOM 49 O GLY A 4 -1.567 3.822 11.020 1.00 0.00 O ATOM 0 H GLY A 4 -5.874 4.640 11.197 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.311 5.624 10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.913 4.996 12.373 1.00 0.00 H new ATOM 53 N GLN A 5 -3.239 2.414 11.459 1.00 0.00 N ATOM 54 CA GLN A 5 -2.383 1.187 11.412 1.00 0.00 C ATOM 55 C GLN A 5 -1.776 1.201 10.000 1.00 0.00 C ATOM 56 O GLN A 5 -0.577 1.104 9.843 1.00 0.00 O ATOM 57 CB GLN A 5 -3.345 0.039 11.707 1.00 0.00 C ATOM 58 CG GLN A 5 -2.658 -1.327 11.860 1.00 0.00 C ATOM 59 CD GLN A 5 -3.620 -2.250 12.605 1.00 0.00 C ATOM 60 OE1 GLN A 5 -4.821 -2.232 12.425 1.00 0.00 O ATOM 61 NE2 GLN A 5 -3.157 -3.089 13.465 1.00 0.00 N ATOM 0 H GLN A 5 -4.223 2.238 11.660 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.559 1.109 12.121 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.893 0.263 12.622 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.079 -0.023 10.903 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.410 -1.742 10.883 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.723 -1.225 12.410 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.154 -3.134 13.644 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.793 -3.708 13.967 1.00 0.00 H new ATOM 70 N VAL A 6 -2.629 1.317 9.011 1.00 0.00 N ATOM 71 CA VAL A 6 -2.142 1.365 7.588 1.00 0.00 C ATOM 72 C VAL A 6 -0.973 2.304 7.416 1.00 0.00 C ATOM 73 O VAL A 6 0.096 1.872 7.041 1.00 0.00 O ATOM 74 CB VAL A 6 -3.317 1.798 6.659 1.00 0.00 C ATOM 75 CG1 VAL A 6 -3.064 3.107 5.884 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.498 0.735 5.629 1.00 0.00 C ATOM 0 H VAL A 6 -3.641 1.381 9.123 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.794 0.368 7.317 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.180 1.952 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.930 3.335 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.899 3.921 6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.184 2.991 5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.315 1.010 4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.580 0.627 5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.732 -0.210 6.119 1.00 0.00 H new ATOM 86 N ASP A 7 -1.205 3.551 7.699 1.00 0.00 N ATOM 87 CA ASP A 7 -0.126 4.547 7.556 1.00 0.00 C ATOM 88 C ASP A 7 1.064 4.108 8.403 1.00 0.00 C ATOM 89 O ASP A 7 2.136 3.932 7.871 1.00 0.00 O ATOM 90 CB ASP A 7 -0.797 5.869 7.943 1.00 0.00 C ATOM 91 CG ASP A 7 0.194 7.037 8.037 1.00 0.00 C ATOM 92 OD1 ASP A 7 1.241 6.845 8.632 1.00 0.00 O ATOM 93 OD2 ASP A 7 -0.168 8.063 7.503 1.00 0.00 O ATOM 0 H ASP A 7 -2.099 3.920 8.024 1.00 0.00 H new ATOM 0 HA ASP A 7 0.302 4.657 6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.565 6.109 7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.300 5.748 8.902 1.00 0.00 H new ATOM 98 N SER A 8 0.848 3.925 9.672 1.00 0.00 N ATOM 99 CA SER A 8 1.946 3.484 10.589 1.00 0.00 C ATOM 100 C SER A 8 2.731 2.300 10.008 1.00 0.00 C ATOM 101 O SER A 8 3.928 2.216 10.185 1.00 0.00 O ATOM 102 CB SER A 8 1.366 3.048 11.934 1.00 0.00 C ATOM 103 OG SER A 8 0.724 4.220 12.415 1.00 0.00 O ATOM 0 H SER A 8 -0.055 4.063 10.126 1.00 0.00 H new ATOM 0 HA SER A 8 2.617 4.334 10.713 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.662 2.224 11.819 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.146 2.709 12.616 1.00 0.00 H new ATOM 0 HG SER A 8 -0.198 4.247 12.084 1.00 0.00 H new ATOM 109 N LYS A 9 2.036 1.433 9.319 1.00 0.00 N ATOM 110 CA LYS A 9 2.624 0.209 8.690 1.00 0.00 C ATOM 111 C LYS A 9 3.334 0.572 7.389 1.00 0.00 C ATOM 112 O LYS A 9 4.456 0.177 7.170 1.00 0.00 O ATOM 113 CB LYS A 9 1.428 -0.760 8.473 1.00 0.00 C ATOM 114 CG LYS A 9 1.859 -2.236 8.385 1.00 0.00 C ATOM 115 CD LYS A 9 2.889 -2.485 7.250 1.00 0.00 C ATOM 116 CE LYS A 9 2.393 -2.169 5.843 1.00 0.00 C ATOM 117 NZ LYS A 9 2.917 -3.264 4.973 1.00 0.00 N ATOM 0 H LYS A 9 1.033 1.529 9.159 1.00 0.00 H new ATOM 0 HA LYS A 9 3.384 -0.262 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.719 -0.642 9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.906 -0.484 7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.291 -2.543 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.980 -2.859 8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.777 -1.885 7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.197 -3.530 7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.304 -2.131 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.756 -1.197 5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.149 -3.630 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.679 -2.894 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.289 -4.032 5.568 1.00 0.00 H new ATOM 131 N MET A 10 2.695 1.299 6.543 1.00 0.00 N ATOM 132 CA MET A 10 3.270 1.724 5.246 1.00 0.00 C ATOM 133 C MET A 10 4.512 2.665 5.447 1.00 0.00 C ATOM 134 O MET A 10 5.535 2.465 4.821 1.00 0.00 O ATOM 135 CB MET A 10 2.064 2.380 4.521 1.00 0.00 C ATOM 136 CG MET A 10 0.899 1.368 4.228 1.00 0.00 C ATOM 137 SD MET A 10 0.769 0.690 2.550 1.00 0.00 S ATOM 138 CE MET A 10 0.720 -1.098 2.855 1.00 0.00 C ATOM 0 H MET A 10 1.746 1.637 6.702 1.00 0.00 H new ATOM 0 HA MET A 10 3.685 0.910 4.651 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.682 3.198 5.131 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.405 2.815 3.581 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.000 0.532 4.920 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.043 1.864 4.463 1.00 0.00 H new ATOM 0 HE1 MET A 10 0.311 -1.605 1.981 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.729 -1.462 3.047 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.090 -1.302 3.721 1.00 0.00 H new ATOM 148 N LYS A 11 4.382 3.649 6.316 1.00 0.00 N ATOM 149 CA LYS A 11 5.434 4.656 6.643 1.00 0.00 C ATOM 150 C LYS A 11 6.895 4.255 6.322 1.00 0.00 C ATOM 151 O LYS A 11 7.514 4.919 5.514 1.00 0.00 O ATOM 152 CB LYS A 11 5.229 5.015 8.149 1.00 0.00 C ATOM 153 CG LYS A 11 6.123 6.230 8.527 1.00 0.00 C ATOM 154 CD LYS A 11 7.479 5.746 9.047 1.00 0.00 C ATOM 155 CE LYS A 11 7.275 5.147 10.434 1.00 0.00 C ATOM 156 NZ LYS A 11 8.609 4.663 10.952 1.00 0.00 N ATOM 0 H LYS A 11 3.521 3.795 6.844 1.00 0.00 H new ATOM 0 HA LYS A 11 5.303 5.516 5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.181 5.250 8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.481 4.158 8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.266 6.870 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.627 6.833 9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.901 5.003 8.371 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.186 6.574 9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.855 5.892 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.565 4.321 10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.485 4.251 11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.990 3.941 10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.271 5.463 11.006 1.00 0.00 H new ATOM 170 N PRO A 12 7.460 3.214 6.907 1.00 0.00 N ATOM 171 CA PRO A 12 8.885 2.844 6.611 1.00 0.00 C ATOM 172 C PRO A 12 9.063 2.609 5.094 1.00 0.00 C ATOM 173 O PRO A 12 9.982 3.075 4.440 1.00 0.00 O ATOM 174 CB PRO A 12 9.114 1.604 7.504 1.00 0.00 C ATOM 175 CG PRO A 12 7.686 1.010 7.678 1.00 0.00 C ATOM 176 CD PRO A 12 6.821 2.267 7.874 1.00 0.00 C ATOM 0 HA PRO A 12 9.627 3.611 6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.790 0.890 7.034 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.555 1.876 8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.376 0.437 6.804 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.627 0.340 8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.772 2.085 7.640 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.859 2.637 8.899 1.00 0.00 H new ATOM 184 N CYS A 13 8.128 1.882 4.576 1.00 0.00 N ATOM 185 CA CYS A 13 8.114 1.539 3.134 1.00 0.00 C ATOM 186 C CYS A 13 7.922 2.864 2.363 1.00 0.00 C ATOM 187 O CYS A 13 8.493 3.067 1.307 1.00 0.00 O ATOM 188 CB CYS A 13 6.993 0.555 2.987 1.00 0.00 C ATOM 189 SG CYS A 13 6.965 -0.659 4.333 1.00 0.00 S ATOM 0 H CYS A 13 7.347 1.498 5.107 1.00 0.00 H new ATOM 0 HA CYS A 13 9.022 1.084 2.739 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.044 1.090 2.963 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.091 0.036 2.034 1.00 0.00 H new ATOM 194 N LEU A 14 7.107 3.750 2.906 1.00 0.00 N ATOM 195 CA LEU A 14 6.898 5.067 2.208 1.00 0.00 C ATOM 196 C LEU A 14 8.335 5.547 1.989 1.00 0.00 C ATOM 197 O LEU A 14 8.698 5.900 0.889 1.00 0.00 O ATOM 198 CB LEU A 14 6.120 6.087 3.075 1.00 0.00 C ATOM 199 CG LEU A 14 4.760 5.514 3.479 1.00 0.00 C ATOM 200 CD1 LEU A 14 3.910 6.636 4.041 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.007 4.826 2.343 1.00 0.00 C ATOM 0 H LEU A 14 6.592 3.623 3.777 1.00 0.00 H new ATOM 0 HA LEU A 14 6.305 4.967 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.698 6.332 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.981 7.015 2.520 1.00 0.00 H new ATOM 0 HG LEU A 14 4.953 4.740 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.936 6.243 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.405 7.066 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.777 7.407 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.054 4.449 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.826 5.541 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.602 3.996 1.962 1.00 0.00 H new ATOM 213 N THR A 15 9.134 5.542 3.038 1.00 0.00 N ATOM 214 CA THR A 15 10.555 5.980 2.857 1.00 0.00 C ATOM 215 C THR A 15 11.089 5.230 1.623 1.00 0.00 C ATOM 216 O THR A 15 11.581 5.845 0.703 1.00 0.00 O ATOM 217 CB THR A 15 11.301 5.647 4.155 1.00 0.00 C ATOM 218 OG1 THR A 15 11.809 6.896 4.570 1.00 0.00 O ATOM 219 CG2 THR A 15 12.474 4.763 3.985 1.00 0.00 C ATOM 0 H THR A 15 8.871 5.262 3.983 1.00 0.00 H new ATOM 0 HA THR A 15 10.679 7.048 2.679 1.00 0.00 H new ATOM 0 HB THR A 15 10.621 5.133 4.835 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.308 6.785 5.406 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.937 4.583 4.955 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.155 3.814 3.553 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.195 5.239 3.321 1.00 0.00 H new ATOM 227 N TYR A 16 10.966 3.932 1.632 1.00 0.00 N ATOM 228 CA TYR A 16 11.434 3.076 0.475 1.00 0.00 C ATOM 229 C TYR A 16 10.952 3.633 -0.894 1.00 0.00 C ATOM 230 O TYR A 16 11.791 3.955 -1.711 1.00 0.00 O ATOM 231 CB TYR A 16 10.927 1.660 0.805 1.00 0.00 C ATOM 232 CG TYR A 16 10.552 0.766 -0.366 1.00 0.00 C ATOM 233 CD1 TYR A 16 11.508 0.095 -1.080 1.00 0.00 C ATOM 234 CD2 TYR A 16 9.227 0.597 -0.690 1.00 0.00 C ATOM 235 CE1 TYR A 16 11.138 -0.749 -2.105 1.00 0.00 C ATOM 236 CE2 TYR A 16 8.857 -0.241 -1.709 1.00 0.00 C ATOM 237 CZ TYR A 16 9.811 -0.920 -2.421 1.00 0.00 C ATOM 238 OH TYR A 16 9.435 -1.778 -3.421 1.00 0.00 O ATOM 0 H TYR A 16 10.554 3.406 2.403 1.00 0.00 H new ATOM 0 HA TYR A 16 12.518 3.071 0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.698 1.152 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.054 1.756 1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.553 0.227 -0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.469 1.131 -0.135 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.895 -1.279 -2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.812 -0.367 -1.951 1.00 0.00 H new ATOM 0 HH TYR A 16 8.478 -1.668 -3.604 1.00 0.00 H new ATOM 248 N VAL A 17 9.663 3.735 -1.100 1.00 0.00 N ATOM 249 CA VAL A 17 9.061 4.269 -2.379 1.00 0.00 C ATOM 250 C VAL A 17 9.613 5.674 -2.704 1.00 0.00 C ATOM 251 O VAL A 17 9.631 6.022 -3.869 1.00 0.00 O ATOM 252 CB VAL A 17 7.474 4.316 -2.287 1.00 0.00 C ATOM 253 CG1 VAL A 17 6.843 2.900 -2.335 1.00 0.00 C ATOM 254 CG2 VAL A 17 6.999 4.909 -1.004 1.00 0.00 C ATOM 0 H VAL A 17 8.967 3.459 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 17 9.342 3.589 -3.184 1.00 0.00 H new ATOM 0 HB VAL A 17 7.172 4.920 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.758 2.983 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.114 2.413 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.213 2.308 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.909 4.919 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.368 4.313 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.372 5.929 -0.914 1.00 0.00 H new ATOM 264 N GLN A 18 10.031 6.445 -1.719 1.00 0.00 N ATOM 265 CA GLN A 18 10.578 7.808 -2.039 1.00 0.00 C ATOM 266 C GLN A 18 12.128 7.663 -2.093 1.00 0.00 C ATOM 267 O GLN A 18 12.804 8.517 -2.625 1.00 0.00 O ATOM 268 CB GLN A 18 10.275 8.872 -0.925 1.00 0.00 C ATOM 269 CG GLN A 18 9.541 8.314 0.263 1.00 0.00 C ATOM 270 CD GLN A 18 9.242 9.322 1.379 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.215 10.524 1.220 1.00 0.00 O ATOM 272 NE2 GLN A 18 8.981 8.864 2.559 1.00 0.00 N ATOM 0 H GLN A 18 10.018 6.196 -0.730 1.00 0.00 H new ATOM 0 HA GLN A 18 10.119 8.145 -2.968 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.215 9.309 -0.587 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.685 9.680 -1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.599 7.886 -0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.128 7.497 0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.994 7.859 2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.762 9.508 3.319 1.00 0.00 H new ATOM 281 N GLY A 19 12.661 6.607 -1.544 1.00 0.00 N ATOM 282 CA GLY A 19 14.145 6.377 -1.535 1.00 0.00 C ATOM 283 C GLY A 19 14.626 5.803 -0.195 1.00 0.00 C ATOM 284 O GLY A 19 15.314 6.446 0.571 1.00 0.00 O ATOM 0 H GLY A 19 12.121 5.872 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.411 5.692 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.660 7.317 -1.733 1.00 0.00 H new ATOM 288 N GLY A 20 14.236 4.579 0.045 1.00 0.00 N ATOM 289 CA GLY A 20 14.630 3.862 1.318 1.00 0.00 C ATOM 290 C GLY A 20 15.423 2.606 0.953 1.00 0.00 C ATOM 291 O GLY A 20 15.324 2.144 -0.167 1.00 0.00 O ATOM 0 H GLY A 20 13.654 4.030 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.231 4.517 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.742 3.594 1.890 1.00 0.00 H new ATOM 295 N PRO A 21 16.175 2.051 1.874 1.00 0.00 N ATOM 296 CA PRO A 21 16.995 0.831 1.624 1.00 0.00 C ATOM 297 C PRO A 21 16.031 -0.328 1.944 1.00 0.00 C ATOM 298 O PRO A 21 16.268 -1.170 2.788 1.00 0.00 O ATOM 299 CB PRO A 21 18.155 1.024 2.588 1.00 0.00 C ATOM 300 CG PRO A 21 17.419 1.575 3.848 1.00 0.00 C ATOM 301 CD PRO A 21 16.330 2.534 3.275 1.00 0.00 C ATOM 0 HA PRO A 21 17.401 0.641 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 21 18.678 0.090 2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.895 1.726 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.972 0.770 4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 21 18.105 2.104 4.509 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.396 2.466 3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.648 3.576 3.312 1.00 0.00 H new ATOM 309 N GLY A 22 14.953 -0.293 1.214 1.00 0.00 N ATOM 310 CA GLY A 22 13.858 -1.290 1.336 1.00 0.00 C ATOM 311 C GLY A 22 13.644 -2.120 0.051 1.00 0.00 C ATOM 312 O GLY A 22 14.390 -2.001 -0.897 1.00 0.00 O ATOM 0 H GLY A 22 14.781 0.420 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.080 -1.964 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.931 -0.773 1.586 1.00 0.00 H new ATOM 316 N PRO A 23 12.633 -2.954 0.011 1.00 0.00 N ATOM 317 CA PRO A 23 11.600 -3.152 1.053 1.00 0.00 C ATOM 318 C PRO A 23 11.949 -4.370 1.941 1.00 0.00 C ATOM 319 O PRO A 23 11.533 -5.481 1.689 1.00 0.00 O ATOM 320 CB PRO A 23 10.341 -3.262 0.184 1.00 0.00 C ATOM 321 CG PRO A 23 10.822 -3.994 -1.128 1.00 0.00 C ATOM 322 CD PRO A 23 12.369 -3.827 -1.163 1.00 0.00 C ATOM 0 HA PRO A 23 11.490 -2.370 1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.559 -3.829 0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.928 -2.279 -0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.543 -5.047 -1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.361 -3.554 -2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.881 -4.785 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.705 -3.367 -2.092 1.00 0.00 H new ATOM 330 N SER A 24 12.727 -4.087 2.954 1.00 0.00 N ATOM 331 CA SER A 24 13.248 -5.033 4.005 1.00 0.00 C ATOM 332 C SER A 24 12.586 -6.404 4.274 1.00 0.00 C ATOM 333 O SER A 24 13.223 -7.283 4.818 1.00 0.00 O ATOM 334 CB SER A 24 13.292 -4.220 5.308 1.00 0.00 C ATOM 335 OG SER A 24 14.083 -3.092 4.925 1.00 0.00 O ATOM 0 H SER A 24 13.057 -3.135 3.110 1.00 0.00 H new ATOM 0 HA SER A 24 14.196 -5.377 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.296 -3.927 5.640 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.748 -4.781 6.124 1.00 0.00 H new ATOM 0 HG SER A 24 14.182 -2.487 5.690 1.00 0.00 H new ATOM 341 N GLY A 25 11.348 -6.575 3.907 1.00 0.00 N ATOM 342 CA GLY A 25 10.607 -7.876 4.131 1.00 0.00 C ATOM 343 C GLY A 25 9.321 -7.603 4.908 1.00 0.00 C ATOM 344 O GLY A 25 8.265 -8.126 4.593 1.00 0.00 O ATOM 0 H GLY A 25 10.792 -5.854 3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.374 -8.343 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.236 -8.575 4.682 1.00 0.00 H new ATOM 348 N GLU A 26 9.457 -6.778 5.917 1.00 0.00 N ATOM 349 CA GLU A 26 8.314 -6.375 6.798 1.00 0.00 C ATOM 350 C GLU A 26 7.072 -5.920 6.050 1.00 0.00 C ATOM 351 O GLU A 26 5.993 -6.458 6.261 1.00 0.00 O ATOM 352 CB GLU A 26 8.774 -5.235 7.738 1.00 0.00 C ATOM 353 CG GLU A 26 9.636 -4.043 7.045 1.00 0.00 C ATOM 354 CD GLU A 26 9.347 -2.662 7.703 1.00 0.00 C ATOM 355 OE1 GLU A 26 9.018 -2.691 8.875 1.00 0.00 O ATOM 356 OE2 GLU A 26 9.469 -1.643 7.035 1.00 0.00 O ATOM 0 H GLU A 26 10.347 -6.351 6.176 1.00 0.00 H new ATOM 0 HA GLU A 26 8.030 -7.271 7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.891 -4.795 8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.372 -5.670 8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.699 -4.269 7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.401 -3.995 5.982 1.00 0.00 H new ATOM 363 N CYS A 27 7.222 -4.943 5.189 1.00 0.00 N ATOM 364 CA CYS A 27 6.049 -4.495 4.463 1.00 0.00 C ATOM 365 C CYS A 27 5.320 -5.634 3.825 1.00 0.00 C ATOM 366 O CYS A 27 4.170 -5.743 4.156 1.00 0.00 O ATOM 367 CB CYS A 27 6.459 -3.495 3.435 1.00 0.00 C ATOM 368 SG CYS A 27 5.546 -2.009 3.868 1.00 0.00 S ATOM 0 H CYS A 27 8.095 -4.461 4.977 1.00 0.00 H new ATOM 0 HA CYS A 27 5.362 -4.034 5.172 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.535 -3.321 3.457 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.211 -3.835 2.429 1.00 0.00 H new ATOM 373 N CYS A 28 5.946 -6.416 2.981 1.00 0.00 N ATOM 374 CA CYS A 28 5.247 -7.576 2.323 1.00 0.00 C ATOM 375 C CYS A 28 4.207 -8.209 3.242 1.00 0.00 C ATOM 376 O CYS A 28 3.019 -8.279 2.980 1.00 0.00 O ATOM 377 CB CYS A 28 6.308 -8.606 1.934 1.00 0.00 C ATOM 378 SG CYS A 28 7.463 -8.037 0.676 1.00 0.00 S ATOM 0 H CYS A 28 6.924 -6.303 2.713 1.00 0.00 H new ATOM 0 HA CYS A 28 4.713 -7.219 1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.869 -8.888 2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.810 -9.506 1.573 1.00 0.00 H new ATOM 383 N ASN A 29 4.798 -8.636 4.324 1.00 0.00 N ATOM 384 CA ASN A 29 4.067 -9.296 5.433 1.00 0.00 C ATOM 385 C ASN A 29 2.854 -8.443 5.785 1.00 0.00 C ATOM 386 O ASN A 29 1.718 -8.854 5.622 1.00 0.00 O ATOM 387 CB ASN A 29 5.117 -9.452 6.584 1.00 0.00 C ATOM 388 CG ASN A 29 5.273 -10.916 6.977 1.00 0.00 C ATOM 389 OD1 ASN A 29 5.050 -11.829 6.214 1.00 0.00 O ATOM 390 ND2 ASN A 29 5.666 -11.224 8.166 1.00 0.00 N ATOM 0 H ASN A 29 5.801 -8.548 4.486 1.00 0.00 H new ATOM 0 HA ASN A 29 3.667 -10.282 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.079 -9.052 6.262 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.804 -8.869 7.450 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.777 -12.203 8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.866 -10.488 8.844 1.00 0.00 H new ATOM 397 N GLY A 30 3.140 -7.254 6.245 1.00 0.00 N ATOM 398 CA GLY A 30 2.016 -6.336 6.622 1.00 0.00 C ATOM 399 C GLY A 30 1.008 -6.129 5.470 1.00 0.00 C ATOM 400 O GLY A 30 -0.177 -6.240 5.660 1.00 0.00 O ATOM 0 H GLY A 30 4.080 -6.881 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.494 -6.743 7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.425 -5.371 6.921 1.00 0.00 H new ATOM 404 N VAL A 31 1.489 -5.837 4.292 1.00 0.00 N ATOM 405 CA VAL A 31 0.611 -5.603 3.094 1.00 0.00 C ATOM 406 C VAL A 31 -0.334 -6.753 2.926 1.00 0.00 C ATOM 407 O VAL A 31 -1.528 -6.581 2.979 1.00 0.00 O ATOM 408 CB VAL A 31 1.393 -5.512 1.767 1.00 0.00 C ATOM 409 CG1 VAL A 31 0.392 -5.087 0.666 1.00 0.00 C ATOM 410 CG2 VAL A 31 2.463 -4.470 1.857 1.00 0.00 C ATOM 0 H VAL A 31 2.486 -5.747 4.098 1.00 0.00 H new ATOM 0 HA VAL A 31 0.107 -4.656 3.286 1.00 0.00 H new ATOM 0 HB VAL A 31 1.856 -6.474 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.912 -5.012 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.402 -5.830 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.040 -4.119 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.003 -4.421 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.010 -3.501 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.156 -4.728 2.658 1.00 0.00 H new ATOM 420 N ARG A 32 0.213 -7.905 2.714 1.00 0.00 N ATOM 421 CA ARG A 32 -0.628 -9.116 2.540 1.00 0.00 C ATOM 422 C ARG A 32 -1.698 -9.161 3.641 1.00 0.00 C ATOM 423 O ARG A 32 -2.878 -9.269 3.367 1.00 0.00 O ATOM 424 CB ARG A 32 0.285 -10.216 2.644 1.00 0.00 C ATOM 425 CG ARG A 32 1.234 -10.258 1.432 1.00 0.00 C ATOM 426 CD ARG A 32 2.380 -11.251 1.634 1.00 0.00 C ATOM 427 NE ARG A 32 1.956 -12.270 2.673 1.00 0.00 N ATOM 428 CZ ARG A 32 2.427 -12.215 3.865 1.00 0.00 C ATOM 429 NH1 ARG A 32 3.627 -12.576 4.094 1.00 0.00 N ATOM 430 NH2 ARG A 32 1.610 -11.790 4.749 1.00 0.00 N ATOM 0 H ARG A 32 1.218 -8.066 2.652 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.160 -9.136 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.865 -10.127 3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.271 -11.151 2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.671 -10.532 0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.643 -9.263 1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.622 -11.747 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.280 -10.730 1.960 1.00 0.00 H new ATOM 0 HE ARG A 32 1.293 -13.003 2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.214 -12.909 3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.001 -12.532 5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.662 -11.525 4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.905 -11.716 5.723 1.00 0.00 H new ATOM 444 N ASP A 33 -1.218 -9.095 4.860 1.00 0.00 N ATOM 445 CA ASP A 33 -2.166 -9.116 6.000 1.00 0.00 C ATOM 446 C ASP A 33 -3.250 -8.055 5.759 1.00 0.00 C ATOM 447 O ASP A 33 -4.409 -8.396 5.816 1.00 0.00 O ATOM 448 CB ASP A 33 -1.333 -8.876 7.251 1.00 0.00 C ATOM 449 CG ASP A 33 -0.928 -10.255 7.757 1.00 0.00 C ATOM 450 OD1 ASP A 33 -0.028 -10.849 7.157 1.00 0.00 O ATOM 451 OD2 ASP A 33 -1.609 -10.585 8.719 1.00 0.00 O ATOM 0 H ASP A 33 -0.230 -9.029 5.105 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.694 -10.063 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.456 -8.270 7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.907 -8.337 8.005 1.00 0.00 H new ATOM 456 N LEU A 34 -2.920 -6.812 5.491 1.00 0.00 N ATOM 457 CA LEU A 34 -4.049 -5.850 5.253 1.00 0.00 C ATOM 458 C LEU A 34 -4.892 -6.436 4.088 1.00 0.00 C ATOM 459 O LEU A 34 -6.100 -6.434 4.167 1.00 0.00 O ATOM 460 CB LEU A 34 -3.638 -4.441 4.734 1.00 0.00 C ATOM 461 CG LEU A 34 -2.887 -3.434 5.693 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.601 -3.954 6.277 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.424 -2.217 4.855 1.00 0.00 C ATOM 0 H LEU A 34 -1.974 -6.435 5.428 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.542 -5.732 6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.004 -4.590 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.545 -3.945 4.389 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.600 -3.227 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.160 -3.193 6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.804 -4.851 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.907 -4.195 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.903 -1.509 5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.751 -2.553 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.292 -1.731 4.409 1.00 0.00 H new ATOM 475 N HIS A 35 -4.252 -6.939 3.053 1.00 0.00 N ATOM 476 CA HIS A 35 -5.000 -7.504 1.869 1.00 0.00 C ATOM 477 C HIS A 35 -5.929 -8.691 2.212 1.00 0.00 C ATOM 478 O HIS A 35 -6.883 -8.959 1.509 1.00 0.00 O ATOM 479 CB HIS A 35 -3.915 -7.880 0.829 1.00 0.00 C ATOM 480 CG HIS A 35 -4.477 -8.167 -0.560 1.00 0.00 C ATOM 481 ND1 HIS A 35 -5.371 -9.053 -0.840 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.151 -7.601 -1.775 1.00 0.00 C ATOM 483 CE1 HIS A 35 -5.589 -9.059 -2.119 1.00 0.00 C ATOM 484 NE2 HIS A 35 -4.850 -8.170 -2.736 1.00 0.00 N ATOM 0 H HIS A 35 -3.236 -6.984 2.974 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.695 -6.761 1.478 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.193 -7.067 0.759 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.374 -8.758 1.182 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.835 -9.656 -0.161 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.430 -6.809 -1.917 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.291 -9.714 -2.613 1.00 0.00 H new ATOM 492 N ASN A 36 -5.593 -9.370 3.268 1.00 0.00 N ATOM 493 CA ASN A 36 -6.356 -10.557 3.787 1.00 0.00 C ATOM 494 C ASN A 36 -7.321 -10.244 4.954 1.00 0.00 C ATOM 495 O ASN A 36 -8.364 -10.850 5.091 1.00 0.00 O ATOM 496 CB ASN A 36 -5.292 -11.582 4.167 1.00 0.00 C ATOM 497 CG ASN A 36 -4.820 -12.179 2.855 1.00 0.00 C ATOM 498 OD1 ASN A 36 -5.265 -13.220 2.436 1.00 0.00 O ATOM 499 ND2 ASN A 36 -3.933 -11.575 2.139 1.00 0.00 N ATOM 0 H ASN A 36 -4.773 -9.142 3.830 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.033 -10.930 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.468 -11.112 4.704 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.703 -12.350 4.823 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.631 -11.979 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.533 -10.693 2.459 1.00 0.00 H new ATOM 506 N GLN A 37 -6.940 -9.301 5.765 1.00 0.00 N ATOM 507 CA GLN A 37 -7.746 -8.867 6.938 1.00 0.00 C ATOM 508 C GLN A 37 -8.844 -7.937 6.377 1.00 0.00 C ATOM 509 O GLN A 37 -9.963 -7.989 6.850 1.00 0.00 O ATOM 510 CB GLN A 37 -6.793 -8.131 7.957 1.00 0.00 C ATOM 511 CG GLN A 37 -5.818 -9.158 8.689 1.00 0.00 C ATOM 512 CD GLN A 37 -5.042 -8.527 9.875 1.00 0.00 C ATOM 513 OE1 GLN A 37 -5.570 -7.729 10.620 1.00 0.00 O ATOM 514 NE2 GLN A 37 -3.802 -8.832 10.136 1.00 0.00 N ATOM 0 H GLN A 37 -6.063 -8.791 5.657 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.209 -9.694 7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.204 -7.381 7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.391 -7.602 8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.400 -10.004 9.054 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.104 -9.551 7.964 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.305 -9.498 9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.328 -8.405 10.932 1.00 0.00 H new ATOM 523 N ALA A 38 -8.520 -7.114 5.402 1.00 0.00 N ATOM 524 CA ALA A 38 -9.594 -6.225 4.850 1.00 0.00 C ATOM 525 C ALA A 38 -10.180 -6.919 3.557 1.00 0.00 C ATOM 526 O ALA A 38 -9.512 -7.162 2.566 1.00 0.00 O ATOM 527 CB ALA A 38 -8.867 -4.914 4.640 1.00 0.00 C ATOM 0 H ALA A 38 -7.596 -7.021 4.980 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.470 -6.049 5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.558 -4.176 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.475 -4.559 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.043 -5.062 3.942 1.00 0.00 H new ATOM 533 N GLN A 39 -11.452 -7.226 3.588 1.00 0.00 N ATOM 534 CA GLN A 39 -12.114 -7.913 2.417 1.00 0.00 C ATOM 535 C GLN A 39 -13.035 -7.113 1.487 1.00 0.00 C ATOM 536 O GLN A 39 -13.102 -7.404 0.306 1.00 0.00 O ATOM 537 CB GLN A 39 -12.917 -9.119 2.975 1.00 0.00 C ATOM 538 CG GLN A 39 -11.976 -10.198 3.592 1.00 0.00 C ATOM 539 CD GLN A 39 -10.987 -10.726 2.553 1.00 0.00 C ATOM 540 OE1 GLN A 39 -11.322 -11.117 1.461 1.00 0.00 O ATOM 541 NE2 GLN A 39 -9.736 -10.768 2.824 1.00 0.00 N ATOM 0 H GLN A 39 -12.071 -7.033 4.375 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.276 -8.159 1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.618 -8.771 3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.508 -9.565 2.175 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.430 -9.771 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.571 -11.023 3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.400 -10.449 3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.076 -11.120 2.131 1.00 0.00 H new ATOM 550 N SER A 40 -13.717 -6.120 1.986 1.00 0.00 N ATOM 551 CA SER A 40 -14.639 -5.339 1.079 1.00 0.00 C ATOM 552 C SER A 40 -14.323 -3.842 1.008 1.00 0.00 C ATOM 553 O SER A 40 -13.319 -3.358 1.508 1.00 0.00 O ATOM 554 CB SER A 40 -16.078 -5.550 1.573 1.00 0.00 C ATOM 555 OG SER A 40 -16.865 -5.100 0.469 1.00 0.00 O ATOM 0 H SER A 40 -13.686 -5.812 2.958 1.00 0.00 H new ATOM 0 HA SER A 40 -14.500 -5.713 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.275 -6.596 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.283 -4.975 2.476 1.00 0.00 H new ATOM 0 HG SER A 40 -17.816 -5.196 0.685 1.00 0.00 H new ATOM 561 N SER A 41 -15.207 -3.110 0.390 1.00 0.00 N ATOM 562 CA SER A 41 -14.993 -1.627 0.261 1.00 0.00 C ATOM 563 C SER A 41 -15.603 -0.933 1.482 1.00 0.00 C ATOM 564 O SER A 41 -16.448 -0.063 1.404 1.00 0.00 O ATOM 565 CB SER A 41 -15.656 -1.105 -1.019 1.00 0.00 C ATOM 566 OG SER A 41 -14.758 -1.467 -2.066 1.00 0.00 O ATOM 0 H SER A 41 -16.066 -3.464 -0.032 1.00 0.00 H new ATOM 0 HA SER A 41 -13.925 -1.416 0.208 1.00 0.00 H new ATOM 0 HB2 SER A 41 -16.638 -1.553 -1.167 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.801 -0.026 -0.978 1.00 0.00 H new ATOM 0 HG SER A 41 -14.627 -0.702 -2.664 1.00 0.00 H new ATOM 572 N GLY A 42 -15.088 -1.412 2.583 1.00 0.00 N ATOM 573 CA GLY A 42 -15.438 -0.973 3.973 1.00 0.00 C ATOM 574 C GLY A 42 -14.121 -0.823 4.737 1.00 0.00 C ATOM 575 O GLY A 42 -13.796 0.217 5.270 1.00 0.00 O ATOM 0 H GLY A 42 -14.383 -2.149 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.983 -0.029 3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.084 -1.705 4.458 1.00 0.00 H new ATOM 579 N ASP A 43 -13.374 -1.894 4.753 1.00 0.00 N ATOM 580 CA ASP A 43 -12.042 -1.965 5.443 1.00 0.00 C ATOM 581 C ASP A 43 -10.886 -1.735 4.447 1.00 0.00 C ATOM 582 O ASP A 43 -10.076 -0.847 4.680 1.00 0.00 O ATOM 583 CB ASP A 43 -11.956 -3.359 6.116 1.00 0.00 C ATOM 584 CG ASP A 43 -12.682 -4.431 5.307 1.00 0.00 C ATOM 585 OD1 ASP A 43 -12.551 -4.485 4.099 1.00 0.00 O ATOM 586 OD2 ASP A 43 -13.377 -5.201 5.924 1.00 0.00 O ATOM 0 H ASP A 43 -13.642 -2.765 4.295 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.950 -1.179 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.910 -3.641 6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.387 -3.306 7.116 1.00 0.00 H new ATOM 591 N ARG A 44 -10.824 -2.509 3.378 1.00 0.00 N ATOM 592 CA ARG A 44 -9.725 -2.306 2.392 1.00 0.00 C ATOM 593 C ARG A 44 -10.026 -0.863 1.992 1.00 0.00 C ATOM 594 O ARG A 44 -9.101 -0.102 1.959 1.00 0.00 O ATOM 595 CB ARG A 44 -9.845 -3.380 1.225 1.00 0.00 C ATOM 596 CG ARG A 44 -8.454 -4.118 1.226 1.00 0.00 C ATOM 597 CD ARG A 44 -8.233 -4.959 -0.006 1.00 0.00 C ATOM 598 NE ARG A 44 -9.261 -6.046 -0.029 1.00 0.00 N ATOM 599 CZ ARG A 44 -10.003 -6.212 -1.070 1.00 0.00 C ATOM 600 NH1 ARG A 44 -9.465 -6.412 -2.207 1.00 0.00 N ATOM 601 NH2 ARG A 44 -11.256 -6.164 -0.917 1.00 0.00 N ATOM 0 H ARG A 44 -11.480 -3.258 3.157 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.698 -2.442 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.664 -4.076 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.041 -2.903 0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.657 -3.379 1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.386 -4.753 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.311 -4.345 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.230 -5.386 0.002 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.375 -6.657 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.449 -6.441 -2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.050 -6.544 -3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.651 -5.998 0.009 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.873 -6.291 -1.719 1.00 0.00 H new ATOM 615 N GLN A 45 -11.249 -0.482 1.688 1.00 0.00 N ATOM 616 CA GLN A 45 -11.538 0.966 1.332 1.00 0.00 C ATOM 617 C GLN A 45 -10.790 1.931 2.299 1.00 0.00 C ATOM 618 O GLN A 45 -10.001 2.764 1.891 1.00 0.00 O ATOM 619 CB GLN A 45 -13.068 1.213 1.434 1.00 0.00 C ATOM 620 CG GLN A 45 -13.625 1.705 0.067 1.00 0.00 C ATOM 621 CD GLN A 45 -13.064 3.114 -0.138 1.00 0.00 C ATOM 622 OE1 GLN A 45 -13.600 4.084 0.344 1.00 0.00 O ATOM 623 NE2 GLN A 45 -11.978 3.286 -0.828 1.00 0.00 N ATOM 0 H GLN A 45 -12.060 -1.100 1.669 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.191 1.159 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -13.573 0.294 1.731 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -13.273 1.954 2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.317 1.041 -0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -14.715 1.716 0.072 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.506 2.484 -1.245 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.596 4.224 -0.953 1.00 0.00 H new ATOM 632 N THR A 46 -11.101 1.764 3.570 1.00 0.00 N ATOM 633 CA THR A 46 -10.480 2.584 4.692 1.00 0.00 C ATOM 634 C THR A 46 -8.960 2.629 4.434 1.00 0.00 C ATOM 635 O THR A 46 -8.342 3.662 4.235 1.00 0.00 O ATOM 636 CB THR A 46 -10.826 1.879 6.043 1.00 0.00 C ATOM 637 OG1 THR A 46 -12.189 2.212 6.264 1.00 0.00 O ATOM 638 CG2 THR A 46 -10.157 2.509 7.245 1.00 0.00 C ATOM 0 H THR A 46 -11.779 1.074 3.893 1.00 0.00 H new ATOM 0 HA THR A 46 -10.859 3.605 4.734 1.00 0.00 H new ATOM 0 HB THR A 46 -10.544 0.829 5.962 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.757 1.460 5.995 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.443 1.967 8.146 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.075 2.465 7.124 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.470 3.549 7.332 1.00 0.00 H new ATOM 646 N VAL A 47 -8.407 1.444 4.446 1.00 0.00 N ATOM 647 CA VAL A 47 -6.951 1.248 4.202 1.00 0.00 C ATOM 648 C VAL A 47 -6.481 2.018 2.951 1.00 0.00 C ATOM 649 O VAL A 47 -5.572 2.808 3.026 1.00 0.00 O ATOM 650 CB VAL A 47 -6.756 -0.275 4.065 1.00 0.00 C ATOM 651 CG1 VAL A 47 -5.564 -0.645 3.203 1.00 0.00 C ATOM 652 CG2 VAL A 47 -6.591 -0.922 5.421 1.00 0.00 C ATOM 0 H VAL A 47 -8.922 0.581 4.620 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.346 1.644 5.018 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.657 -0.645 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.480 -1.730 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.699 -0.237 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.655 -0.234 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.455 -1.996 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.719 -0.501 5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.480 -0.736 6.024 1.00 0.00 H new ATOM 662 N CYS A 48 -7.138 1.727 1.869 1.00 0.00 N ATOM 663 CA CYS A 48 -6.881 2.322 0.531 1.00 0.00 C ATOM 664 C CYS A 48 -6.838 3.831 0.570 1.00 0.00 C ATOM 665 O CYS A 48 -5.798 4.401 0.319 1.00 0.00 O ATOM 666 CB CYS A 48 -7.966 1.910 -0.455 1.00 0.00 C ATOM 667 SG CYS A 48 -7.365 1.963 -2.158 1.00 0.00 S ATOM 0 H CYS A 48 -7.900 1.049 1.861 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.907 1.949 0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.309 0.903 -0.220 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.825 2.572 -0.350 1.00 0.00 H new ATOM 672 N ASN A 49 -7.952 4.442 0.885 1.00 0.00 N ATOM 673 CA ASN A 49 -7.975 5.926 0.942 1.00 0.00 C ATOM 674 C ASN A 49 -6.749 6.386 1.781 1.00 0.00 C ATOM 675 O ASN A 49 -6.025 7.244 1.321 1.00 0.00 O ATOM 676 CB ASN A 49 -9.339 6.326 1.543 1.00 0.00 C ATOM 677 CG ASN A 49 -10.484 6.052 0.568 1.00 0.00 C ATOM 678 OD1 ASN A 49 -10.433 6.300 -0.619 1.00 0.00 O ATOM 679 ND2 ASN A 49 -11.573 5.538 1.020 1.00 0.00 N ATOM 0 H ASN A 49 -8.835 3.980 1.102 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.888 6.411 -0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.507 5.773 2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.327 7.384 1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.351 5.354 0.387 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.658 5.314 2.011 1.00 0.00 H new ATOM 686 N CYS A 50 -6.522 5.825 2.949 1.00 0.00 N ATOM 687 CA CYS A 50 -5.321 6.266 3.754 1.00 0.00 C ATOM 688 C CYS A 50 -3.974 5.949 3.010 1.00 0.00 C ATOM 689 O CYS A 50 -3.235 6.843 2.657 1.00 0.00 O ATOM 690 CB CYS A 50 -5.431 5.543 5.106 1.00 0.00 C ATOM 691 SG CYS A 50 -6.918 5.945 6.055 1.00 0.00 S ATOM 0 H CYS A 50 -7.097 5.099 3.376 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.311 7.347 3.896 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.407 4.467 4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.555 5.788 5.707 1.00 0.00 H new ATOM 696 N LEU A 51 -3.676 4.695 2.795 1.00 0.00 N ATOM 697 CA LEU A 51 -2.430 4.231 2.089 1.00 0.00 C ATOM 698 C LEU A 51 -2.126 5.096 0.848 1.00 0.00 C ATOM 699 O LEU A 51 -1.011 5.499 0.569 1.00 0.00 O ATOM 700 CB LEU A 51 -2.649 2.719 1.725 1.00 0.00 C ATOM 701 CG LEU A 51 -2.141 2.285 0.286 1.00 0.00 C ATOM 702 CD1 LEU A 51 -1.959 0.794 0.334 1.00 0.00 C ATOM 703 CD2 LEU A 51 -3.208 2.416 -0.844 1.00 0.00 C ATOM 0 H LEU A 51 -4.277 3.928 3.095 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.556 4.337 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.142 2.106 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.713 2.496 1.799 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.273 2.909 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.609 0.439 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.226 0.541 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.911 0.319 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.775 2.098 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.066 1.787 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.530 3.455 -0.922 1.00 0.00 H new ATOM 715 N LYS A 52 -3.168 5.361 0.105 1.00 0.00 N ATOM 716 CA LYS A 52 -3.047 6.193 -1.122 1.00 0.00 C ATOM 717 C LYS A 52 -2.736 7.589 -0.562 1.00 0.00 C ATOM 718 O LYS A 52 -1.772 8.215 -0.953 1.00 0.00 O ATOM 719 CB LYS A 52 -4.398 6.033 -1.838 1.00 0.00 C ATOM 720 CG LYS A 52 -4.482 6.926 -3.075 1.00 0.00 C ATOM 721 CD LYS A 52 -5.825 6.614 -3.786 1.00 0.00 C ATOM 722 CE LYS A 52 -6.942 7.493 -3.347 1.00 0.00 C ATOM 723 NZ LYS A 52 -6.546 8.867 -3.807 1.00 0.00 N ATOM 0 H LYS A 52 -4.112 5.029 0.302 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.280 5.944 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.536 4.992 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.207 6.282 -1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.433 7.978 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.642 6.736 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.691 6.719 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.095 5.575 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.888 7.184 -3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.072 7.459 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.383 9.484 -3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.835 9.259 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.145 8.810 -4.765 1.00 0.00 H new ATOM 737 N GLY A 53 -3.551 8.067 0.352 1.00 0.00 N ATOM 738 CA GLY A 53 -3.319 9.419 0.975 1.00 0.00 C ATOM 739 C GLY A 53 -1.818 9.576 1.252 1.00 0.00 C ATOM 740 O GLY A 53 -1.204 10.490 0.735 1.00 0.00 O ATOM 0 H GLY A 53 -4.375 7.576 0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.666 10.208 0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.887 9.512 1.901 1.00 0.00 H new ATOM 744 N ILE A 54 -1.257 8.687 2.042 1.00 0.00 N ATOM 745 CA ILE A 54 0.213 8.810 2.331 1.00 0.00 C ATOM 746 C ILE A 54 0.922 8.896 0.961 1.00 0.00 C ATOM 747 O ILE A 54 1.665 9.836 0.799 1.00 0.00 O ATOM 748 CB ILE A 54 0.775 7.571 3.197 1.00 0.00 C ATOM 749 CG1 ILE A 54 -0.309 6.544 3.531 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.173 8.234 4.548 1.00 0.00 C ATOM 751 CD1 ILE A 54 0.280 5.223 4.142 1.00 0.00 C ATOM 0 H ILE A 54 -1.735 7.904 2.488 1.00 0.00 H new ATOM 0 HA ILE A 54 0.403 9.697 2.936 1.00 0.00 H new ATOM 0 HB ILE A 54 1.567 7.054 2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.015 6.983 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.868 6.304 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.572 7.476 5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.931 8.996 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.295 8.695 5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.532 4.529 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.966 4.766 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.816 5.455 5.062 1.00 0.00 H new ATOM 763 N ALA A 55 0.715 7.983 0.026 1.00 0.00 N ATOM 764 CA ALA A 55 1.364 8.035 -1.319 1.00 0.00 C ATOM 765 C ALA A 55 1.318 9.478 -1.888 1.00 0.00 C ATOM 766 O ALA A 55 2.214 9.897 -2.593 1.00 0.00 O ATOM 767 CB ALA A 55 0.609 6.931 -2.136 1.00 0.00 C ATOM 0 H ALA A 55 0.099 7.180 0.155 1.00 0.00 H new ATOM 0 HA ALA A 55 2.432 7.820 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.013 6.887 -3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.741 5.964 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.453 7.173 -2.180 1.00 0.00 H new ATOM 773 N ARG A 56 0.281 10.201 -1.568 1.00 0.00 N ATOM 774 CA ARG A 56 0.143 11.621 -2.058 1.00 0.00 C ATOM 775 C ARG A 56 1.020 12.556 -1.198 1.00 0.00 C ATOM 776 O ARG A 56 1.568 13.541 -1.653 1.00 0.00 O ATOM 777 CB ARG A 56 -1.326 12.023 -1.946 1.00 0.00 C ATOM 778 CG ARG A 56 -2.159 10.941 -2.602 1.00 0.00 C ATOM 779 CD ARG A 56 -3.484 11.572 -3.029 1.00 0.00 C ATOM 780 NE ARG A 56 -3.249 12.575 -4.126 1.00 0.00 N ATOM 781 CZ ARG A 56 -3.854 12.469 -5.241 1.00 0.00 C ATOM 782 NH1 ARG A 56 -3.429 11.595 -6.035 1.00 0.00 N ATOM 783 NH2 ARG A 56 -4.838 13.216 -5.524 1.00 0.00 N ATOM 0 H ARG A 56 -0.489 9.875 -0.983 1.00 0.00 H new ATOM 0 HA ARG A 56 0.471 11.700 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.610 12.141 -0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.497 12.983 -2.433 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.637 10.526 -3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.333 10.118 -1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.170 10.798 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.956 12.059 -2.175 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.599 13.347 -3.975 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.635 11.011 -5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.878 11.468 -6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.157 13.916 -4.854 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.311 13.118 -6.422 1.00 0.00 H new ATOM 797 N GLY A 57 1.120 12.198 0.050 1.00 0.00 N ATOM 798 CA GLY A 57 1.934 12.979 1.033 1.00 0.00 C ATOM 799 C GLY A 57 3.320 12.366 1.288 1.00 0.00 C ATOM 800 O GLY A 57 3.746 12.236 2.417 1.00 0.00 O ATOM 0 H GLY A 57 0.661 11.376 0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.056 13.998 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.392 13.042 1.976 1.00 0.00 H new ATOM 804 N ILE A 58 3.989 12.000 0.231 1.00 0.00 N ATOM 805 CA ILE A 58 5.368 11.399 0.341 1.00 0.00 C ATOM 806 C ILE A 58 6.262 12.336 -0.451 1.00 0.00 C ATOM 807 O ILE A 58 5.762 13.110 -1.241 1.00 0.00 O ATOM 808 CB ILE A 58 5.456 10.031 -0.317 1.00 0.00 C ATOM 809 CG1 ILE A 58 4.255 9.226 0.160 1.00 0.00 C ATOM 810 CG2 ILE A 58 6.696 9.320 0.084 1.00 0.00 C ATOM 811 CD1 ILE A 58 4.369 7.707 -0.076 1.00 0.00 C ATOM 0 H ILE A 58 3.642 12.089 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 58 5.641 11.281 1.390 1.00 0.00 H new ATOM 0 HB ILE A 58 5.468 10.146 -1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.113 9.406 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.363 9.594 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.730 8.345 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.565 9.906 -0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.705 9.186 1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.471 7.213 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.478 7.512 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.240 7.321 0.454 1.00 0.00 H new ATOM 823 N HIS A 59 7.548 12.275 -0.279 1.00 0.00 N ATOM 824 CA HIS A 59 8.410 13.210 -1.064 1.00 0.00 C ATOM 825 C HIS A 59 8.230 13.118 -2.595 1.00 0.00 C ATOM 826 O HIS A 59 7.937 14.115 -3.222 1.00 0.00 O ATOM 827 CB HIS A 59 9.824 12.911 -0.680 1.00 0.00 C ATOM 828 CG HIS A 59 10.618 14.225 -0.796 1.00 0.00 C ATOM 829 ND1 HIS A 59 10.416 15.131 -1.695 1.00 0.00 N ATOM 830 CD2 HIS A 59 11.654 14.730 -0.039 1.00 0.00 C ATOM 831 CE1 HIS A 59 11.245 16.116 -1.524 1.00 0.00 C ATOM 832 NE2 HIS A 59 12.033 15.905 -0.501 1.00 0.00 N ATOM 0 H HIS A 59 8.035 11.639 0.352 1.00 0.00 H new ATOM 0 HA HIS A 59 8.119 14.232 -0.822 1.00 0.00 H new ATOM 0 HB2 HIS A 59 9.872 12.522 0.337 1.00 0.00 H new ATOM 0 HB3 HIS A 59 10.246 12.148 -1.334 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.093 14.233 0.813 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.280 16.997 -2.147 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.771 16.511 -0.143 1.00 0.00 H new ATOM 840 N ASN A 60 8.447 11.953 -3.148 1.00 0.00 N ATOM 841 CA ASN A 60 8.290 11.741 -4.625 1.00 0.00 C ATOM 842 C ASN A 60 8.123 10.241 -4.911 1.00 0.00 C ATOM 843 O ASN A 60 8.964 9.646 -5.558 1.00 0.00 O ATOM 844 CB ASN A 60 9.535 12.304 -5.392 1.00 0.00 C ATOM 845 CG ASN A 60 9.293 12.319 -6.918 1.00 0.00 C ATOM 846 OD1 ASN A 60 9.679 13.252 -7.586 1.00 0.00 O ATOM 847 ND2 ASN A 60 8.683 11.369 -7.570 1.00 0.00 N ATOM 0 H ASN A 60 8.732 11.121 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 60 7.404 12.274 -4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.752 13.315 -5.046 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.410 11.695 -5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.558 11.443 -8.580 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.331 10.552 -7.071 1.00 0.00 H new ATOM 854 N LEU A 61 7.057 9.684 -4.398 1.00 0.00 N ATOM 855 CA LEU A 61 6.756 8.224 -4.607 1.00 0.00 C ATOM 856 C LEU A 61 7.338 7.707 -5.968 1.00 0.00 C ATOM 857 O LEU A 61 7.127 8.306 -7.009 1.00 0.00 O ATOM 858 CB LEU A 61 5.200 8.173 -4.460 1.00 0.00 C ATOM 859 CG LEU A 61 4.485 6.910 -4.956 1.00 0.00 C ATOM 860 CD1 LEU A 61 4.348 6.951 -6.480 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.208 5.639 -4.548 1.00 0.00 C ATOM 0 H LEU A 61 6.368 10.181 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 61 7.229 7.545 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.957 8.306 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.783 9.027 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 61 3.500 6.895 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.839 6.050 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.769 7.828 -6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.338 7.004 -6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.662 4.773 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.214 5.643 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.267 5.587 -3.461 1.00 0.00 H new ATOM 873 N ASN A 62 8.072 6.630 -5.934 1.00 0.00 N ATOM 874 CA ASN A 62 8.675 6.057 -7.166 1.00 0.00 C ATOM 875 C ASN A 62 8.026 4.704 -7.496 1.00 0.00 C ATOM 876 O ASN A 62 8.509 3.695 -7.019 1.00 0.00 O ATOM 877 CB ASN A 62 10.172 5.921 -6.885 1.00 0.00 C ATOM 878 CG ASN A 62 10.838 5.452 -8.151 1.00 0.00 C ATOM 879 OD1 ASN A 62 11.542 6.172 -8.815 1.00 0.00 O ATOM 880 ND2 ASN A 62 10.648 4.244 -8.557 1.00 0.00 N ATOM 0 H ASN A 62 8.283 6.112 -5.081 1.00 0.00 H new ATOM 0 HA ASN A 62 8.511 6.694 -8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.589 6.876 -6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.346 5.211 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.088 3.920 -9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.058 3.611 -8.017 1.00 0.00 H new ATOM 887 N LEU A 63 6.973 4.719 -8.275 1.00 0.00 N ATOM 888 CA LEU A 63 6.214 3.483 -8.696 1.00 0.00 C ATOM 889 C LEU A 63 6.967 2.136 -8.584 1.00 0.00 C ATOM 890 O LEU A 63 6.487 1.189 -7.988 1.00 0.00 O ATOM 891 CB LEU A 63 5.685 3.759 -10.173 1.00 0.00 C ATOM 892 CG LEU A 63 6.495 3.132 -11.354 1.00 0.00 C ATOM 893 CD1 LEU A 63 6.135 1.641 -11.504 1.00 0.00 C ATOM 894 CD2 LEU A 63 6.041 3.823 -12.648 1.00 0.00 C ATOM 0 H LEU A 63 6.584 5.580 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 63 5.402 3.333 -7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.659 3.396 -10.237 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.651 4.838 -10.323 1.00 0.00 H new ATOM 0 HG LEU A 63 7.562 3.251 -11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.703 1.211 -12.329 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.378 1.113 -10.582 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.069 1.543 -11.708 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.589 3.407 -13.494 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.973 3.660 -12.792 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.239 4.893 -12.578 1.00 0.00 H new ATOM 906 N ASN A 64 8.138 2.096 -9.175 1.00 0.00 N ATOM 907 CA ASN A 64 9.002 0.864 -9.155 1.00 0.00 C ATOM 908 C ASN A 64 8.896 0.189 -7.775 1.00 0.00 C ATOM 909 O ASN A 64 8.696 -0.998 -7.662 1.00 0.00 O ATOM 910 CB ASN A 64 10.446 1.300 -9.455 1.00 0.00 C ATOM 911 CG ASN A 64 11.425 0.141 -9.413 1.00 0.00 C ATOM 912 OD1 ASN A 64 11.502 -0.711 -10.270 1.00 0.00 O ATOM 913 ND2 ASN A 64 12.205 0.092 -8.385 1.00 0.00 N ATOM 0 H ASN A 64 8.543 2.882 -9.683 1.00 0.00 H new ATOM 0 HA ASN A 64 8.680 0.141 -9.904 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.484 1.767 -10.439 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.752 2.056 -8.731 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.885 -0.663 -8.296 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.142 0.809 -7.662 1.00 0.00 H new ATOM 920 N ASN A 65 9.008 0.995 -6.760 1.00 0.00 N ATOM 921 CA ASN A 65 8.937 0.519 -5.351 1.00 0.00 C ATOM 922 C ASN A 65 7.527 0.004 -5.084 1.00 0.00 C ATOM 923 O ASN A 65 7.325 -1.145 -4.742 1.00 0.00 O ATOM 924 CB ASN A 65 9.265 1.704 -4.508 1.00 0.00 C ATOM 925 CG ASN A 65 10.629 2.244 -4.856 1.00 0.00 C ATOM 926 OD1 ASN A 65 11.101 2.192 -5.974 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.309 2.795 -3.922 1.00 0.00 N ATOM 0 H ASN A 65 9.151 2.001 -6.852 1.00 0.00 H new ATOM 0 HA ASN A 65 9.627 -0.297 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.513 2.480 -4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.236 1.426 -3.454 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.231 3.181 -4.123 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.928 2.848 -2.977 1.00 0.00 H new ATOM 934 N ALA A 66 6.599 0.899 -5.271 1.00 0.00 N ATOM 935 CA ALA A 66 5.153 0.575 -5.057 1.00 0.00 C ATOM 936 C ALA A 66 4.726 -0.783 -5.688 1.00 0.00 C ATOM 937 O ALA A 66 3.924 -1.504 -5.125 1.00 0.00 O ATOM 938 CB ALA A 66 4.405 1.786 -5.621 1.00 0.00 C ATOM 0 H ALA A 66 6.780 1.858 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 66 4.920 0.420 -4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.331 1.636 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.706 2.684 -5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.645 1.902 -6.678 1.00 0.00 H new ATOM 944 N ALA A 67 5.272 -1.070 -6.842 1.00 0.00 N ATOM 945 CA ALA A 67 4.967 -2.353 -7.570 1.00 0.00 C ATOM 946 C ALA A 67 5.958 -3.442 -7.093 1.00 0.00 C ATOM 947 O ALA A 67 5.599 -4.598 -6.974 1.00 0.00 O ATOM 948 CB ALA A 67 5.115 -2.123 -9.087 1.00 0.00 C ATOM 0 H ALA A 67 5.931 -0.460 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 67 3.947 -2.676 -7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.895 -3.049 -9.619 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.420 -1.347 -9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.135 -1.810 -9.310 1.00 0.00 H new ATOM 954 N SER A 68 7.178 -3.053 -6.817 1.00 0.00 N ATOM 955 CA SER A 68 8.212 -4.016 -6.343 1.00 0.00 C ATOM 956 C SER A 68 7.618 -4.668 -5.109 1.00 0.00 C ATOM 957 O SER A 68 7.785 -5.861 -4.916 1.00 0.00 O ATOM 958 CB SER A 68 9.496 -3.235 -6.028 1.00 0.00 C ATOM 959 OG SER A 68 10.122 -3.901 -4.932 1.00 0.00 O ATOM 0 H SER A 68 7.504 -2.090 -6.903 1.00 0.00 H new ATOM 0 HA SER A 68 8.474 -4.777 -7.078 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.157 -3.211 -6.895 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.267 -2.200 -5.773 1.00 0.00 H new ATOM 0 HG SER A 68 10.064 -3.339 -4.131 1.00 0.00 H new ATOM 965 N ILE A 69 6.932 -3.860 -4.317 1.00 0.00 N ATOM 966 CA ILE A 69 6.326 -4.459 -3.099 1.00 0.00 C ATOM 967 C ILE A 69 5.497 -5.699 -3.505 1.00 0.00 C ATOM 968 O ILE A 69 5.981 -6.784 -3.250 1.00 0.00 O ATOM 969 CB ILE A 69 5.404 -3.407 -2.313 1.00 0.00 C ATOM 970 CG1 ILE A 69 6.150 -2.149 -1.826 1.00 0.00 C ATOM 971 CG2 ILE A 69 4.840 -4.095 -1.059 1.00 0.00 C ATOM 972 CD1 ILE A 69 7.160 -2.506 -0.682 1.00 0.00 C ATOM 0 H ILE A 69 6.777 -2.862 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 69 7.129 -4.752 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 69 4.639 -3.090 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.684 -1.693 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.432 -1.412 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.210 -3.394 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.248 -4.961 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.662 -4.419 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.674 -1.602 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.619 -2.940 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.891 -3.225 -1.053 1.00 0.00 H new ATOM 984 N PRO A 70 4.323 -5.619 -4.122 1.00 0.00 N ATOM 985 CA PRO A 70 3.544 -6.837 -4.485 1.00 0.00 C ATOM 986 C PRO A 70 4.404 -7.861 -5.224 1.00 0.00 C ATOM 987 O PRO A 70 4.244 -9.041 -4.967 1.00 0.00 O ATOM 988 CB PRO A 70 2.347 -6.307 -5.306 1.00 0.00 C ATOM 989 CG PRO A 70 2.846 -4.961 -5.825 1.00 0.00 C ATOM 990 CD PRO A 70 3.593 -4.410 -4.597 1.00 0.00 C ATOM 0 HA PRO A 70 3.193 -7.390 -3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.088 -6.982 -6.122 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.455 -6.195 -4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.503 -5.073 -6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.026 -4.311 -6.131 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.272 -3.599 -4.860 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.909 -4.021 -3.842 1.00 0.00 H new ATOM 998 N SER A 71 5.261 -7.387 -6.099 1.00 0.00 N ATOM 999 CA SER A 71 6.160 -8.309 -6.873 1.00 0.00 C ATOM 1000 C SER A 71 6.921 -9.296 -5.967 1.00 0.00 C ATOM 1001 O SER A 71 6.955 -10.475 -6.263 1.00 0.00 O ATOM 1002 CB SER A 71 7.161 -7.456 -7.670 1.00 0.00 C ATOM 1003 OG SER A 71 8.077 -8.371 -8.264 1.00 0.00 O ATOM 0 H SER A 71 5.378 -6.396 -6.312 1.00 0.00 H new ATOM 0 HA SER A 71 5.539 -8.909 -7.538 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.651 -6.866 -8.432 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.680 -6.754 -7.018 1.00 0.00 H new ATOM 0 HG SER A 71 8.740 -7.876 -8.788 1.00 0.00 H new ATOM 1009 N LYS A 72 7.521 -8.784 -4.915 1.00 0.00 N ATOM 1010 CA LYS A 72 8.281 -9.698 -3.978 1.00 0.00 C ATOM 1011 C LYS A 72 7.425 -10.095 -2.753 1.00 0.00 C ATOM 1012 O LYS A 72 7.768 -11.001 -2.020 1.00 0.00 O ATOM 1013 CB LYS A 72 9.590 -9.018 -3.441 1.00 0.00 C ATOM 1014 CG LYS A 72 10.760 -9.030 -4.481 1.00 0.00 C ATOM 1015 CD LYS A 72 10.562 -7.968 -5.603 1.00 0.00 C ATOM 1016 CE LYS A 72 10.689 -6.538 -5.058 1.00 0.00 C ATOM 1017 NZ LYS A 72 12.085 -6.327 -4.532 1.00 0.00 N ATOM 0 H LYS A 72 7.523 -7.796 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 72 8.533 -10.583 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.369 -7.987 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.913 -9.530 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.702 -8.841 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.834 -10.020 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.301 -8.126 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.580 -8.098 -6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.472 -5.816 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.960 -6.373 -4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.280 -5.308 -4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.170 -6.760 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.770 -6.768 -5.179 1.00 0.00 H new ATOM 1031 N CYS A 73 6.336 -9.412 -2.552 1.00 0.00 N ATOM 1032 CA CYS A 73 5.420 -9.695 -1.407 1.00 0.00 C ATOM 1033 C CYS A 73 4.226 -10.590 -1.818 1.00 0.00 C ATOM 1034 O CYS A 73 3.215 -10.589 -1.147 1.00 0.00 O ATOM 1035 CB CYS A 73 4.925 -8.342 -0.900 1.00 0.00 C ATOM 1036 SG CYS A 73 6.128 -7.060 -0.470 1.00 0.00 S ATOM 0 H CYS A 73 6.031 -8.645 -3.151 1.00 0.00 H new ATOM 0 HA CYS A 73 5.954 -10.245 -0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.265 -7.929 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.314 -8.527 -0.016 1.00 0.00 H new ATOM 1041 N ASN A 74 4.382 -11.343 -2.877 1.00 0.00 N ATOM 1042 CA ASN A 74 3.315 -12.257 -3.420 1.00 0.00 C ATOM 1043 C ASN A 74 1.858 -11.773 -3.154 1.00 0.00 C ATOM 1044 O ASN A 74 1.012 -12.525 -2.708 1.00 0.00 O ATOM 1045 CB ASN A 74 3.547 -13.683 -2.806 1.00 0.00 C ATOM 1046 CG ASN A 74 4.778 -14.325 -3.430 1.00 0.00 C ATOM 1047 OD1 ASN A 74 5.897 -13.930 -3.217 1.00 0.00 O ATOM 1048 ND2 ASN A 74 4.649 -15.329 -4.227 1.00 0.00 N ATOM 0 H ASN A 74 5.247 -11.365 -3.417 1.00 0.00 H new ATOM 0 HA ASN A 74 3.408 -12.268 -4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.675 -13.607 -1.726 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.672 -14.310 -2.980 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.474 -15.755 -4.648 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.721 -15.698 -4.437 1.00 0.00 H new ATOM 1055 N VAL A 75 1.627 -10.511 -3.436 1.00 0.00 N ATOM 1056 CA VAL A 75 0.242 -9.923 -3.228 1.00 0.00 C ATOM 1057 C VAL A 75 -0.542 -9.617 -4.534 1.00 0.00 C ATOM 1058 O VAL A 75 -1.626 -9.069 -4.484 1.00 0.00 O ATOM 1059 CB VAL A 75 0.303 -8.577 -2.419 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -0.870 -8.592 -1.422 1.00 0.00 C ATOM 1061 CG2 VAL A 75 1.554 -8.392 -1.600 1.00 0.00 C ATOM 0 H VAL A 75 2.324 -9.860 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.283 -10.708 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 75 0.271 -7.771 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.863 -7.671 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.810 -8.669 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.768 -9.446 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.508 -7.437 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.636 -9.200 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.424 -8.405 -2.257 1.00 0.00 H new ATOM 1071 N ASN A 76 0.014 -9.988 -5.661 1.00 0.00 N ATOM 1072 CA ASN A 76 -0.605 -9.774 -7.031 1.00 0.00 C ATOM 1073 C ASN A 76 -1.856 -8.843 -7.126 1.00 0.00 C ATOM 1074 O ASN A 76 -2.943 -9.327 -7.368 1.00 0.00 O ATOM 1075 CB ASN A 76 -0.929 -11.192 -7.542 1.00 0.00 C ATOM 1076 CG ASN A 76 -1.864 -11.974 -6.590 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -1.987 -13.170 -6.708 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -2.560 -11.423 -5.643 1.00 0.00 N ATOM 0 H ASN A 76 0.920 -10.456 -5.699 1.00 0.00 H new ATOM 0 HA ASN A 76 0.112 -9.221 -7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.395 -11.121 -8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.000 -11.748 -7.669 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.164 -11.997 -5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.503 -10.416 -5.488 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.707 -7.555 -6.951 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.932 -6.672 -7.028 1.00 0.00 C ATOM 1087 C VAL A 77 -2.813 -5.305 -7.782 1.00 0.00 C ATOM 1088 O VAL A 77 -1.726 -4.761 -7.808 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.322 -6.525 -5.546 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.303 -5.634 -4.781 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -4.734 -6.033 -5.399 1.00 0.00 C ATOM 0 H VAL A 77 -0.825 -7.079 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.688 -7.132 -7.664 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.284 -7.513 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.606 -5.549 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.312 -6.085 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.276 -4.642 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.979 -5.940 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.832 -5.060 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.417 -6.741 -5.868 1.00 0.00 H new ATOM 1101 N PRO A 78 -3.885 -4.788 -8.362 1.00 0.00 N ATOM 1102 CA PRO A 78 -3.925 -3.378 -8.870 1.00 0.00 C ATOM 1103 C PRO A 78 -3.634 -2.298 -7.812 1.00 0.00 C ATOM 1104 O PRO A 78 -2.919 -1.351 -8.066 1.00 0.00 O ATOM 1105 CB PRO A 78 -5.322 -3.256 -9.494 1.00 0.00 C ATOM 1106 CG PRO A 78 -6.159 -4.274 -8.689 1.00 0.00 C ATOM 1107 CD PRO A 78 -5.193 -5.473 -8.606 1.00 0.00 C ATOM 0 HA PRO A 78 -3.123 -3.194 -9.585 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.718 -2.245 -9.400 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.310 -3.496 -10.557 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.427 -3.895 -7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.089 -4.531 -9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.455 -6.156 -7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.184 -6.057 -9.526 1.00 0.00 H new ATOM 1115 N TYR A 79 -4.187 -2.437 -6.635 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.917 -1.399 -5.600 1.00 0.00 C ATOM 1117 C TYR A 79 -2.549 -1.595 -4.920 1.00 0.00 C ATOM 1118 O TYR A 79 -2.286 -2.514 -4.174 1.00 0.00 O ATOM 1119 CB TYR A 79 -5.090 -1.413 -4.553 1.00 0.00 C ATOM 1120 CG TYR A 79 -5.491 -2.746 -3.876 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.671 -3.406 -2.990 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -6.740 -3.283 -4.120 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -5.083 -4.568 -2.363 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -7.162 -4.441 -3.491 1.00 0.00 C ATOM 1125 CZ TYR A 79 -6.330 -5.087 -2.613 1.00 0.00 C ATOM 1126 OH TYR A 79 -6.758 -6.237 -1.992 1.00 0.00 O ATOM 0 H TYR A 79 -4.798 -3.203 -6.351 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.871 -0.423 -6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.830 -0.710 -3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.977 -1.020 -5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.688 -3.010 -2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.401 -2.789 -4.816 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.421 -5.070 -1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.147 -4.836 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.839 -6.955 -2.654 1.00 0.00 H new ATOM 1136 N THR A 80 -1.649 -0.708 -5.219 1.00 0.00 N ATOM 1137 CA THR A 80 -0.276 -0.779 -4.616 1.00 0.00 C ATOM 1138 C THR A 80 0.058 0.647 -4.194 1.00 0.00 C ATOM 1139 O THR A 80 -0.102 1.526 -5.005 1.00 0.00 O ATOM 1140 CB THR A 80 0.784 -1.286 -5.659 1.00 0.00 C ATOM 1141 OG1 THR A 80 1.139 -0.202 -6.510 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.149 -2.209 -6.682 1.00 0.00 C ATOM 0 H THR A 80 -1.797 0.072 -5.859 1.00 0.00 H new ATOM 0 HA THR A 80 -0.254 -1.479 -3.780 1.00 0.00 H new ATOM 0 HB THR A 80 1.588 -1.740 -5.079 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.504 0.534 -6.385 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.907 -2.544 -7.390 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.281 -3.073 -6.175 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.636 -1.674 -7.217 1.00 0.00 H new ATOM 1150 N ILE A 81 0.486 0.853 -2.977 1.00 0.00 N ATOM 1151 CA ILE A 81 0.858 2.226 -2.433 1.00 0.00 C ATOM 1152 C ILE A 81 1.109 3.403 -3.469 1.00 0.00 C ATOM 1153 O ILE A 81 2.188 3.962 -3.565 1.00 0.00 O ATOM 1154 CB ILE A 81 2.082 1.900 -1.541 1.00 0.00 C ATOM 1155 CG1 ILE A 81 2.652 3.095 -0.740 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.205 1.298 -2.424 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.604 3.626 0.289 1.00 0.00 C ATOM 0 H ILE A 81 0.603 0.102 -2.297 1.00 0.00 H new ATOM 0 HA ILE A 81 0.011 2.672 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 81 1.722 1.193 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.558 2.789 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.934 3.895 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.071 1.066 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.844 0.386 -2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.491 2.018 -3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.028 4.466 0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.709 3.954 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.343 2.830 0.986 1.00 0.00 H new ATOM 1169 N SER A 82 0.093 3.770 -4.219 1.00 0.00 N ATOM 1170 CA SER A 82 0.240 4.875 -5.243 1.00 0.00 C ATOM 1171 C SER A 82 -0.703 6.111 -5.205 1.00 0.00 C ATOM 1172 O SER A 82 -1.902 5.939 -5.096 1.00 0.00 O ATOM 1173 CB SER A 82 0.137 4.202 -6.625 1.00 0.00 C ATOM 1174 OG SER A 82 1.489 3.879 -6.911 1.00 0.00 O ATOM 0 H SER A 82 -0.837 3.354 -4.170 1.00 0.00 H new ATOM 0 HA SER A 82 1.197 5.337 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.495 3.315 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.287 4.873 -7.372 1.00 0.00 H new ATOM 0 HG SER A 82 1.542 3.436 -7.784 1.00 0.00 H new ATOM 1180 N PRO A 83 -0.170 7.324 -5.298 1.00 0.00 N ATOM 1181 CA PRO A 83 -0.920 8.597 -5.430 1.00 0.00 C ATOM 1182 C PRO A 83 -2.428 8.603 -5.676 1.00 0.00 C ATOM 1183 O PRO A 83 -3.183 8.977 -4.795 1.00 0.00 O ATOM 1184 CB PRO A 83 -0.130 9.309 -6.519 1.00 0.00 C ATOM 1185 CG PRO A 83 1.336 8.978 -6.172 1.00 0.00 C ATOM 1186 CD PRO A 83 1.280 7.685 -5.307 1.00 0.00 C ATOM 0 HA PRO A 83 -0.967 9.077 -4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.399 8.948 -7.512 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.312 10.384 -6.510 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.926 8.820 -7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.803 9.796 -5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.888 6.889 -5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.654 7.862 -4.299 1.00 0.00 H new ATOM 1194 N ASP A 84 -2.852 8.217 -6.850 1.00 0.00 N ATOM 1195 CA ASP A 84 -4.318 8.226 -7.078 1.00 0.00 C ATOM 1196 C ASP A 84 -4.946 7.004 -7.722 1.00 0.00 C ATOM 1197 O ASP A 84 -5.258 6.902 -8.890 1.00 0.00 O ATOM 1198 CB ASP A 84 -4.668 9.532 -7.881 1.00 0.00 C ATOM 1199 CG ASP A 84 -5.656 10.422 -7.082 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -6.279 9.966 -6.130 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -5.712 11.568 -7.488 1.00 0.00 O ATOM 0 H ASP A 84 -2.271 7.908 -7.630 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.765 8.202 -6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.756 10.091 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.107 9.266 -8.843 1.00 0.00 H new ATOM 1206 N ILE A 85 -5.076 6.078 -6.826 1.00 0.00 N ATOM 1207 CA ILE A 85 -5.677 4.741 -7.051 1.00 0.00 C ATOM 1208 C ILE A 85 -7.180 5.048 -6.863 1.00 0.00 C ATOM 1209 O ILE A 85 -7.538 5.835 -6.002 1.00 0.00 O ATOM 1210 CB ILE A 85 -5.069 3.796 -5.954 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.835 3.137 -6.533 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -6.046 2.696 -5.410 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -2.982 2.610 -5.367 1.00 0.00 C ATOM 0 H ILE A 85 -4.761 6.209 -5.865 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.500 4.250 -8.008 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.840 4.423 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.116 2.320 -7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.266 3.851 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.535 2.095 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.918 3.173 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.365 2.055 -6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.086 2.130 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.696 3.440 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.559 1.886 -4.792 1.00 0.00 H new ATOM 1225 N ASP A 86 -8.003 4.414 -7.648 1.00 0.00 N ATOM 1226 CA ASP A 86 -9.480 4.624 -7.574 1.00 0.00 C ATOM 1227 C ASP A 86 -10.059 3.742 -6.445 1.00 0.00 C ATOM 1228 O ASP A 86 -11.048 3.032 -6.566 1.00 0.00 O ATOM 1229 CB ASP A 86 -9.991 4.271 -8.994 1.00 0.00 C ATOM 1230 CG ASP A 86 -11.501 4.450 -9.193 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -12.213 4.980 -8.358 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -11.888 4.016 -10.263 1.00 0.00 O ATOM 0 H ASP A 86 -7.709 3.742 -8.356 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.787 5.638 -7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.466 4.893 -9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.729 3.236 -9.213 1.00 0.00 H new ATOM 1237 N CYS A 87 -9.346 3.820 -5.349 1.00 0.00 N ATOM 1238 CA CYS A 87 -9.690 3.077 -4.087 1.00 0.00 C ATOM 1239 C CYS A 87 -11.141 2.637 -3.895 1.00 0.00 C ATOM 1240 O CYS A 87 -11.417 1.496 -3.595 1.00 0.00 O ATOM 1241 CB CYS A 87 -9.279 3.940 -2.913 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.510 3.925 -2.580 1.00 0.00 S ATOM 0 H CYS A 87 -8.504 4.391 -5.271 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.145 2.136 -4.162 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.595 4.966 -3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.809 3.602 -2.023 1.00 0.00 H new ATOM 1247 N SER A 88 -12.028 3.576 -4.051 1.00 0.00 N ATOM 1248 CA SER A 88 -13.498 3.316 -3.908 1.00 0.00 C ATOM 1249 C SER A 88 -13.963 1.959 -4.454 1.00 0.00 C ATOM 1250 O SER A 88 -14.535 1.124 -3.776 1.00 0.00 O ATOM 1251 CB SER A 88 -14.292 4.399 -4.649 1.00 0.00 C ATOM 1252 OG SER A 88 -14.311 5.533 -3.787 1.00 0.00 O ATOM 0 H SER A 88 -11.795 4.543 -4.278 1.00 0.00 H new ATOM 0 HA SER A 88 -13.682 3.321 -2.834 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.824 4.642 -5.603 1.00 0.00 H new ATOM 0 HB3 SER A 88 -15.304 4.059 -4.868 1.00 0.00 H new ATOM 0 HG SER A 88 -14.808 6.261 -4.215 1.00 0.00 H new ATOM 1258 N ARG A 89 -13.664 1.790 -5.709 1.00 0.00 N ATOM 1259 CA ARG A 89 -14.057 0.538 -6.426 1.00 0.00 C ATOM 1260 C ARG A 89 -12.937 -0.471 -6.642 1.00 0.00 C ATOM 1261 O ARG A 89 -13.170 -1.660 -6.529 1.00 0.00 O ATOM 1262 CB ARG A 89 -14.656 0.947 -7.793 1.00 0.00 C ATOM 1263 CG ARG A 89 -13.620 1.771 -8.629 1.00 0.00 C ATOM 1264 CD ARG A 89 -13.612 1.306 -10.085 1.00 0.00 C ATOM 1265 NE ARG A 89 -14.870 1.826 -10.719 1.00 0.00 N ATOM 1266 CZ ARG A 89 -14.806 2.700 -11.647 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -14.190 3.773 -11.371 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -15.344 2.467 -12.770 1.00 0.00 N ATOM 0 H ARG A 89 -13.159 2.470 -6.278 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.774 0.023 -5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -14.951 0.056 -8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.558 1.539 -7.638 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -13.868 2.831 -8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.625 1.657 -8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.733 1.685 -10.606 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.572 0.218 -10.142 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.778 1.480 -10.407 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.778 3.901 -10.447 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.106 4.508 -12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -15.827 1.583 -12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.295 3.164 -13.514 1.00 0.00 H new