USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 642 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 31 GLN : amide:sc= 0.748 K(o=1.6,f=-0.83) USER MOD Set 1.2: A 36 CYS SG : rot 144:sc= 0.852 USER MOD Set 2.1: A 14 THR OG1 : rot 137:sc= 1 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 147:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 13 THR OG1 : rot -140:sc= -0.293 USER MOD Set 3.2: A 53 HIS : no HE2:sc= 0.647 K(o=1.9,f=-4.5!) USER MOD Set 3.3: A 86 THR OG1 : rot -42:sc= 1.59 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.769 K(o=-0.77,f=-0.0051) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.081) USER MOD Single : A 61 GLN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -160:sc= -2.38! USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.16) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0017) USER MOD Single : A 83 HIS : no HD1:sc= -0.744 K(o=-0.74,f=-0.065) USER MOD Single : A 84 MET CE :methyl 170:sc= -4.77 (180deg=-5.45!) USER MOD Single : A 87 MET CE :methyl 161:sc= -0.136 (180deg=-0.631) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.183 -6.375 2.007 1.00 0.00 N ATOM 55 CA ASN A 11 12.903 -7.072 1.916 1.00 0.00 C ATOM 56 C ASN A 11 12.121 -6.935 3.181 1.00 0.00 C ATOM 57 O ASN A 11 12.161 -7.789 4.067 1.00 0.00 O ATOM 58 CB ASN A 11 13.021 -8.543 1.515 1.00 0.00 C ATOM 59 CG ASN A 11 13.374 -8.776 0.067 1.00 0.00 C ATOM 60 OD1 ASN A 11 12.499 -8.870 -0.783 1.00 0.00 O ATOM 61 ND2 ASN A 11 14.639 -8.899 -0.224 1.00 0.00 N ATOM 0 HA ASN A 11 12.365 -6.580 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.778 -9.016 2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.075 -9.041 1.729 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.926 -9.080 -1.186 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.342 -8.815 0.510 1.00 0.00 H new ATOM 68 N VAL A 12 11.458 -5.835 3.270 1.00 0.00 N ATOM 69 CA VAL A 12 10.641 -5.475 4.353 1.00 0.00 C ATOM 70 C VAL A 12 9.504 -4.714 3.785 1.00 0.00 C ATOM 71 O VAL A 12 9.688 -3.780 2.995 1.00 0.00 O ATOM 72 CB VAL A 12 11.373 -4.589 5.409 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.396 -3.998 6.405 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.406 -5.369 6.169 1.00 0.00 C ATOM 0 H VAL A 12 11.480 -5.125 2.538 1.00 0.00 H new ATOM 0 HA VAL A 12 10.330 -6.379 4.877 1.00 0.00 H new ATOM 0 HB VAL A 12 11.861 -3.790 4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.937 -3.386 7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.669 -3.380 5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.878 -4.802 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.893 -4.717 6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.926 -6.197 6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.150 -5.760 5.475 1.00 0.00 H new ATOM 84 N THR A 13 8.384 -5.128 4.136 1.00 0.00 N ATOM 85 CA THR A 13 7.194 -4.522 3.777 1.00 0.00 C ATOM 86 C THR A 13 6.650 -3.924 5.027 1.00 0.00 C ATOM 87 O THR A 13 6.254 -4.645 5.964 1.00 0.00 O ATOM 88 CB THR A 13 6.235 -5.578 3.227 1.00 0.00 C ATOM 89 OG1 THR A 13 6.757 -6.173 2.027 1.00 0.00 O ATOM 90 CG2 THR A 13 4.850 -5.031 2.994 1.00 0.00 C ATOM 0 H THR A 13 8.258 -5.954 4.721 1.00 0.00 H new ATOM 0 HA THR A 13 7.332 -3.764 3.006 1.00 0.00 H new ATOM 0 HB THR A 13 6.148 -6.352 3.989 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.029 -6.305 1.384 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.208 -5.820 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.441 -4.663 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.898 -4.213 2.275 1.00 0.00 H new ATOM 98 N THR A 14 6.719 -2.647 5.103 1.00 0.00 N ATOM 99 CA THR A 14 6.211 -1.984 6.222 1.00 0.00 C ATOM 100 C THR A 14 4.722 -1.897 6.077 1.00 0.00 C ATOM 101 O THR A 14 4.185 -1.522 5.018 1.00 0.00 O ATOM 102 CB THR A 14 6.803 -0.599 6.364 1.00 0.00 C ATOM 103 OG1 THR A 14 8.245 -0.691 6.348 1.00 0.00 O ATOM 104 CG2 THR A 14 6.349 0.063 7.663 1.00 0.00 C ATOM 0 H THR A 14 7.129 -2.043 4.390 1.00 0.00 H new ATOM 0 HA THR A 14 6.477 -2.541 7.120 1.00 0.00 H new ATOM 0 HB THR A 14 6.457 0.011 5.530 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.612 0.023 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.790 1.057 7.738 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.262 0.147 7.668 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.670 -0.542 8.511 1.00 0.00 H new ATOM 112 N VAL A 15 4.079 -2.261 7.091 1.00 0.00 N ATOM 113 CA VAL A 15 2.696 -2.296 7.149 1.00 0.00 C ATOM 114 C VAL A 15 2.253 -1.250 8.068 1.00 0.00 C ATOM 115 O VAL A 15 2.869 -1.030 9.110 1.00 0.00 O ATOM 116 CB VAL A 15 2.221 -3.655 7.668 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.735 -3.637 7.982 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.530 -4.710 6.651 1.00 0.00 C ATOM 0 H VAL A 15 4.530 -2.561 7.955 1.00 0.00 H new ATOM 0 HA VAL A 15 2.282 -2.138 6.153 1.00 0.00 H new ATOM 0 HB VAL A 15 2.748 -3.878 8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.429 -4.617 8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.533 -2.885 8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.175 -3.396 7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.193 -5.679 7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.017 -4.477 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.605 -4.743 6.476 1.00 0.00 H new ATOM 128 N LEU A 16 1.253 -0.579 7.696 1.00 0.00 N ATOM 129 CA LEU A 16 0.687 0.316 8.571 1.00 0.00 C ATOM 130 C LEU A 16 -0.733 -0.052 8.760 1.00 0.00 C ATOM 131 O LEU A 16 -1.553 0.078 7.857 1.00 0.00 O ATOM 132 CB LEU A 16 0.800 1.740 8.120 1.00 0.00 C ATOM 133 CG LEU A 16 0.243 2.736 9.110 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.176 2.923 10.277 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.052 4.017 8.448 1.00 0.00 C ATOM 0 H LEU A 16 0.811 -0.640 6.779 1.00 0.00 H new ATOM 0 HA LEU A 16 1.235 0.258 9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.849 1.972 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.277 1.854 7.170 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.693 2.338 9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.749 3.645 10.973 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.318 1.970 10.786 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.138 3.290 9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.452 4.720 9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.863 4.423 8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.786 3.858 7.658 1.00 0.00 H new ATOM 147 N ILE A 17 -1.019 -0.481 9.910 1.00 0.00 N ATOM 148 CA ILE A 17 -2.325 -0.846 10.265 1.00 0.00 C ATOM 149 C ILE A 17 -2.905 0.326 10.965 1.00 0.00 C ATOM 150 O ILE A 17 -2.251 0.933 11.790 1.00 0.00 O ATOM 151 CB ILE A 17 -2.309 -2.124 11.197 1.00 0.00 C ATOM 152 CG1 ILE A 17 -2.733 -3.359 10.422 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.200 -1.971 12.433 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.193 -3.313 10.037 1.00 0.00 C ATOM 0 H ILE A 17 -0.335 -0.594 10.658 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.921 -1.109 9.391 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.281 -2.235 11.542 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.124 -3.449 9.523 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.545 -4.247 11.025 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.148 -2.879 13.034 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.857 -1.123 13.026 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.230 -1.801 12.120 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.452 -4.216 9.484 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.805 -3.250 10.937 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.377 -2.440 9.411 1.00 0.00 H new ATOM 166 N ARG A 18 -4.049 0.733 10.535 1.00 0.00 N ATOM 167 CA ARG A 18 -4.738 1.756 11.212 1.00 0.00 C ATOM 168 C ARG A 18 -5.962 1.170 11.742 1.00 0.00 C ATOM 169 O ARG A 18 -6.917 0.902 11.020 1.00 0.00 O ATOM 170 CB ARG A 18 -4.991 2.946 10.333 1.00 0.00 C ATOM 171 CG ARG A 18 -3.705 3.570 9.902 1.00 0.00 C ATOM 172 CD ARG A 18 -3.912 4.739 9.011 1.00 0.00 C ATOM 173 NE ARG A 18 -4.530 5.892 9.664 1.00 0.00 N ATOM 174 CZ ARG A 18 -4.601 7.097 9.093 1.00 0.00 C ATOM 175 NH1 ARG A 18 -4.366 7.224 7.789 1.00 0.00 N ATOM 176 NH2 ARG A 18 -4.951 8.155 9.805 1.00 0.00 N ATOM 0 H ARG A 18 -4.523 0.365 9.711 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.134 2.148 12.030 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.564 2.642 9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.594 3.679 10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.144 3.883 10.782 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.099 2.826 9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.949 5.042 8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.536 4.435 8.171 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.924 5.771 10.597 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.133 6.403 7.230 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.419 8.142 7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.169 8.053 10.796 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.003 9.073 9.363 1.00 0.00 H new ATOM 190 N ARG A 19 -5.894 0.919 12.977 1.00 0.00 N ATOM 191 CA ARG A 19 -6.920 0.256 13.683 1.00 0.00 C ATOM 192 C ARG A 19 -7.803 1.246 14.418 1.00 0.00 C ATOM 193 O ARG A 19 -7.304 2.042 15.193 1.00 0.00 O ATOM 194 CB ARG A 19 -6.295 -0.727 14.643 1.00 0.00 C ATOM 195 CG ARG A 19 -7.290 -1.444 15.500 1.00 0.00 C ATOM 196 CD ARG A 19 -6.626 -2.518 16.298 1.00 0.00 C ATOM 197 NE ARG A 19 -7.595 -3.289 17.017 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.331 -4.118 18.005 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.154 -4.111 18.578 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.270 -4.936 18.439 1.00 0.00 N ATOM 0 H ARG A 19 -5.095 1.175 13.557 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.555 -0.280 12.978 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.721 -1.460 14.076 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.591 -0.198 15.284 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.777 -0.735 16.170 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.069 -1.879 14.874 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.055 -3.169 15.636 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.917 -2.073 16.997 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.572 -3.187 16.741 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.436 -3.461 18.259 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.955 -4.756 19.343 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.195 -4.924 18.009 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.071 -5.580 19.204 1.00 0.00 H new ATOM 214 N PRO A 20 -9.114 1.224 14.160 1.00 0.00 N ATOM 215 CA PRO A 20 -10.068 2.113 14.837 1.00 0.00 C ATOM 216 C PRO A 20 -10.067 1.960 16.372 1.00 0.00 C ATOM 217 O PRO A 20 -9.840 2.931 17.097 1.00 0.00 O ATOM 218 CB PRO A 20 -11.415 1.669 14.267 1.00 0.00 C ATOM 219 CG PRO A 20 -11.091 1.069 12.950 1.00 0.00 C ATOM 220 CD PRO A 20 -9.778 0.381 13.141 1.00 0.00 C ATOM 0 HA PRO A 20 -9.824 3.162 14.667 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.902 0.946 14.922 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.097 2.513 14.160 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.862 0.365 12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.025 1.833 12.175 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.905 -0.645 13.485 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.205 0.338 12.215 1.00 0.00 H new ATOM 228 N ASP A 21 -10.284 0.740 16.847 1.00 0.00 N ATOM 229 CA ASP A 21 -10.405 0.454 18.273 1.00 0.00 C ATOM 230 C ASP A 21 -10.303 -1.047 18.481 1.00 0.00 C ATOM 231 O ASP A 21 -10.132 -1.802 17.503 1.00 0.00 O ATOM 232 CB ASP A 21 -11.742 0.972 18.851 1.00 0.00 C ATOM 233 CG ASP A 21 -12.957 0.207 18.369 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.331 -0.778 19.016 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.583 0.608 17.359 1.00 0.00 O ATOM 0 H ASP A 21 -10.382 -0.083 16.252 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.600 0.969 18.798 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.700 0.920 19.939 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.858 2.023 18.586 1.00 0.00 H new ATOM 240 N LEU A 22 -10.431 -1.478 19.726 1.00 0.00 N ATOM 241 CA LEU A 22 -10.260 -2.872 20.120 1.00 0.00 C ATOM 242 C LEU A 22 -11.313 -3.825 19.623 1.00 0.00 C ATOM 243 O LEU A 22 -11.089 -5.034 19.616 1.00 0.00 O ATOM 244 CB LEU A 22 -10.087 -2.997 21.618 1.00 0.00 C ATOM 245 CG LEU A 22 -8.857 -2.315 22.159 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.663 -2.645 23.611 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.657 -2.704 21.334 1.00 0.00 C ATOM 0 H LEU A 22 -10.660 -0.861 20.505 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.346 -3.184 19.614 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.966 -2.579 22.110 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.047 -4.054 21.880 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.984 -1.235 22.089 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.770 -2.143 23.982 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.530 -2.310 24.179 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.548 -3.723 23.727 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.769 -2.209 21.728 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.520 -3.784 21.378 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.813 -2.400 20.299 1.00 0.00 H new ATOM 259 N ARG A 23 -12.425 -3.335 19.188 1.00 0.00 N ATOM 260 CA ARG A 23 -13.439 -4.227 18.693 1.00 0.00 C ATOM 261 C ARG A 23 -13.190 -4.574 17.245 1.00 0.00 C ATOM 262 O ARG A 23 -13.774 -5.527 16.713 1.00 0.00 O ATOM 263 CB ARG A 23 -14.860 -3.715 18.938 1.00 0.00 C ATOM 264 CG ARG A 23 -15.226 -3.586 20.417 1.00 0.00 C ATOM 265 CD ARG A 23 -15.044 -4.908 21.172 1.00 0.00 C ATOM 266 NE ARG A 23 -15.493 -4.818 22.573 1.00 0.00 N ATOM 267 CZ ARG A 23 -15.230 -5.725 23.541 1.00 0.00 C ATOM 268 NH1 ARG A 23 -14.455 -6.784 23.293 1.00 0.00 N ATOM 269 NH2 ARG A 23 -15.736 -5.561 24.758 1.00 0.00 N ATOM 0 H ARG A 23 -12.660 -2.343 19.161 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.364 -5.148 19.271 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.972 -2.742 18.460 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.567 -4.390 18.456 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.606 -2.817 20.878 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.261 -3.257 20.507 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.602 -5.694 20.664 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.993 -5.196 21.147 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.049 -4.003 22.834 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.054 -6.916 22.365 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.264 -7.461 24.032 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.322 -4.752 24.962 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.538 -6.244 25.489 1.00 0.00 H new ATOM 283 N TYR A 24 -12.287 -3.845 16.617 1.00 0.00 N ATOM 284 CA TYR A 24 -11.915 -4.131 15.261 1.00 0.00 C ATOM 285 C TYR A 24 -10.727 -5.017 15.278 1.00 0.00 C ATOM 286 O TYR A 24 -9.751 -4.726 15.964 1.00 0.00 O ATOM 287 CB TYR A 24 -11.614 -2.860 14.473 1.00 0.00 C ATOM 288 CG TYR A 24 -12.835 -2.200 13.901 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.757 -1.569 14.711 1.00 0.00 C ATOM 290 CD2 TYR A 24 -13.063 -2.216 12.536 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.877 -0.973 14.177 1.00 0.00 C ATOM 292 CE2 TYR A 24 -14.176 -1.622 11.992 1.00 0.00 C ATOM 293 CZ TYR A 24 -15.081 -1.004 12.812 1.00 0.00 C ATOM 294 OH TYR A 24 -16.193 -0.406 12.266 1.00 0.00 O ATOM 0 H TYR A 24 -11.801 -3.050 17.033 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.751 -4.622 14.764 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -11.101 -2.152 15.124 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.928 -3.101 13.661 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.598 -1.542 15.779 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.352 -2.705 11.886 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -15.592 -0.484 14.822 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.336 -1.643 10.924 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.181 -0.520 11.293 1.00 0.00 H new ATOM 304 N GLN A 25 -10.799 -6.096 14.572 1.00 0.00 N ATOM 305 CA GLN A 25 -9.709 -7.012 14.545 1.00 0.00 C ATOM 306 C GLN A 25 -8.909 -6.916 13.284 1.00 0.00 C ATOM 307 O GLN A 25 -9.394 -6.430 12.262 1.00 0.00 O ATOM 308 CB GLN A 25 -10.085 -8.440 14.981 1.00 0.00 C ATOM 309 CG GLN A 25 -11.389 -8.980 14.424 1.00 0.00 C ATOM 310 CD GLN A 25 -11.382 -9.386 12.956 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.402 -9.285 12.274 1.00 0.00 O ATOM 312 NE2 GLN A 25 -10.281 -9.902 12.474 1.00 0.00 N ATOM 0 H GLN A 25 -11.603 -6.365 14.005 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.021 -6.693 15.328 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.280 -9.113 14.686 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.139 -8.465 16.069 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.681 -9.847 15.017 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.160 -8.223 14.565 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.451 -9.973 13.062 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.253 -10.233 11.510 1.00 0.00 H new ATOM 321 N LEU A 26 -7.694 -7.394 13.384 1.00 0.00 N ATOM 322 CA LEU A 26 -6.645 -7.206 12.396 1.00 0.00 C ATOM 323 C LEU A 26 -7.058 -7.754 11.051 1.00 0.00 C ATOM 324 O LEU A 26 -7.026 -7.055 10.045 1.00 0.00 O ATOM 325 CB LEU A 26 -5.324 -7.880 12.858 1.00 0.00 C ATOM 326 CG LEU A 26 -4.894 -7.738 14.355 1.00 0.00 C ATOM 327 CD1 LEU A 26 -5.213 -6.369 14.948 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.452 -8.872 15.221 1.00 0.00 C ATOM 0 H LEU A 26 -7.390 -7.947 14.185 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.477 -6.134 12.296 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.400 -8.944 12.635 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.517 -7.482 12.243 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.807 -7.823 14.359 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.889 -6.339 15.988 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.691 -5.597 14.383 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.287 -6.192 14.898 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.129 -8.734 16.253 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.541 -8.861 15.177 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.083 -9.828 14.850 1.00 0.00 H new ATOM 340 N GLY A 27 -7.457 -8.990 11.038 1.00 0.00 N ATOM 341 CA GLY A 27 -7.880 -9.577 9.804 1.00 0.00 C ATOM 342 C GLY A 27 -6.819 -10.433 9.173 1.00 0.00 C ATOM 343 O GLY A 27 -6.775 -10.575 7.962 1.00 0.00 O ATOM 0 H GLY A 27 -7.498 -9.602 11.853 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.770 -10.181 9.980 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.164 -8.786 9.109 1.00 0.00 H new ATOM 347 N PHE A 28 -5.939 -10.973 9.976 1.00 0.00 N ATOM 348 CA PHE A 28 -4.967 -11.913 9.488 1.00 0.00 C ATOM 349 C PHE A 28 -4.701 -12.937 10.563 1.00 0.00 C ATOM 350 O PHE A 28 -4.929 -12.672 11.756 1.00 0.00 O ATOM 351 CB PHE A 28 -3.654 -11.245 8.988 1.00 0.00 C ATOM 352 CG PHE A 28 -2.754 -10.631 10.039 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.968 -9.348 10.503 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.676 -11.341 10.541 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.131 -8.783 11.443 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.834 -10.780 11.474 1.00 0.00 C ATOM 357 CZ PHE A 28 -1.064 -9.502 11.928 1.00 0.00 C ATOM 0 H PHE A 28 -5.877 -10.776 10.975 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.382 -12.401 8.606 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.078 -11.994 8.444 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.920 -10.467 8.273 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.804 -8.778 10.124 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.494 -12.348 10.196 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.313 -7.779 11.797 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.007 -11.343 11.850 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.407 -9.064 12.665 1.00 0.00 H new ATOM 367 N SER A 29 -4.289 -14.088 10.158 1.00 0.00 N ATOM 368 CA SER A 29 -3.997 -15.157 11.068 1.00 0.00 C ATOM 369 C SER A 29 -2.488 -15.311 11.133 1.00 0.00 C ATOM 370 O SER A 29 -1.835 -15.517 10.095 1.00 0.00 O ATOM 371 CB SER A 29 -4.641 -16.438 10.544 1.00 0.00 C ATOM 372 OG SER A 29 -6.011 -16.208 10.188 1.00 0.00 O ATOM 0 H SER A 29 -4.142 -14.323 9.176 1.00 0.00 H new ATOM 0 HA SER A 29 -4.389 -14.949 12.064 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.090 -16.799 9.675 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.584 -17.217 11.304 1.00 0.00 H new ATOM 0 HG SER A 29 -6.406 -17.040 9.853 1.00 0.00 H new ATOM 378 N VAL A 30 -1.927 -15.192 12.307 1.00 0.00 N ATOM 379 CA VAL A 30 -0.501 -15.285 12.439 1.00 0.00 C ATOM 380 C VAL A 30 -0.119 -16.527 13.262 1.00 0.00 C ATOM 381 O VAL A 30 -0.804 -16.889 14.233 1.00 0.00 O ATOM 382 CB VAL A 30 0.102 -13.972 13.083 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.268 -14.050 14.595 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.396 -13.567 12.422 1.00 0.00 C ATOM 0 H VAL A 30 -2.432 -15.032 13.178 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.074 -15.387 11.441 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.640 -13.196 12.896 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.686 -13.114 14.964 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.703 -14.221 15.059 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.940 -14.871 14.845 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.777 -12.661 12.893 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.127 -14.368 12.532 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.220 -13.379 11.363 1.00 0.00 H new ATOM 394 N GLN A 31 0.920 -17.190 12.846 1.00 0.00 N ATOM 395 CA GLN A 31 1.475 -18.296 13.576 1.00 0.00 C ATOM 396 C GLN A 31 2.964 -18.073 13.695 1.00 0.00 C ATOM 397 O GLN A 31 3.618 -17.787 12.713 1.00 0.00 O ATOM 398 CB GLN A 31 1.151 -19.663 12.935 1.00 0.00 C ATOM 399 CG GLN A 31 1.613 -19.844 11.495 1.00 0.00 C ATOM 400 CD GLN A 31 1.386 -21.258 11.009 1.00 0.00 C ATOM 401 OE1 GLN A 31 0.327 -21.600 10.475 1.00 0.00 O ATOM 402 NE2 GLN A 31 2.370 -22.085 11.163 1.00 0.00 N ATOM 0 H GLN A 31 1.413 -16.976 11.979 1.00 0.00 H new ATOM 0 HA GLN A 31 1.018 -18.334 14.565 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.604 -20.445 13.544 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.072 -19.815 12.973 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.077 -19.147 10.850 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.672 -19.599 11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.233 -21.773 11.608 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.282 -23.048 10.839 1.00 0.00 H new ATOM 411 N ASN A 32 3.470 -18.115 14.920 1.00 0.00 N ATOM 412 CA ASN A 32 4.908 -17.868 15.249 1.00 0.00 C ATOM 413 C ASN A 32 5.372 -16.452 14.879 1.00 0.00 C ATOM 414 O ASN A 32 6.539 -16.131 15.008 1.00 0.00 O ATOM 415 CB ASN A 32 5.829 -18.896 14.563 1.00 0.00 C ATOM 416 CG ASN A 32 5.588 -20.315 15.016 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.740 -21.018 14.465 1.00 0.00 O ATOM 418 ND2 ASN A 32 6.326 -20.760 15.988 1.00 0.00 N ATOM 0 H ASN A 32 2.902 -18.323 15.741 1.00 0.00 H new ATOM 0 HA ASN A 32 4.982 -17.976 16.331 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.685 -18.838 13.484 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.868 -18.631 14.761 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.212 -21.719 16.317 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.019 -20.151 16.422 1.00 0.00 H new ATOM 425 N GLY A 33 4.443 -15.606 14.463 1.00 0.00 N ATOM 426 CA GLY A 33 4.801 -14.288 13.998 1.00 0.00 C ATOM 427 C GLY A 33 4.820 -14.245 12.485 1.00 0.00 C ATOM 428 O GLY A 33 5.197 -13.257 11.888 1.00 0.00 O ATOM 0 H GLY A 33 3.444 -15.812 14.440 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.089 -13.556 14.379 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.781 -14.013 14.388 1.00 0.00 H new ATOM 432 N ILE A 34 4.393 -15.328 11.872 1.00 0.00 N ATOM 433 CA ILE A 34 4.331 -15.434 10.424 1.00 0.00 C ATOM 434 C ILE A 34 2.870 -15.527 9.993 1.00 0.00 C ATOM 435 O ILE A 34 2.091 -16.327 10.526 1.00 0.00 O ATOM 436 CB ILE A 34 5.166 -16.642 9.816 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.696 -16.497 10.042 1.00 0.00 C ATOM 438 CG2 ILE A 34 4.917 -16.749 8.322 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.188 -16.674 11.460 1.00 0.00 C ATOM 0 H ILE A 34 4.077 -16.165 12.363 1.00 0.00 H new ATOM 0 HA ILE A 34 4.799 -14.534 10.025 1.00 0.00 H new ATOM 0 HB ILE A 34 4.828 -17.537 10.337 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.205 -17.226 9.411 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.000 -15.509 9.696 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.494 -17.580 7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.856 -16.921 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.222 -15.823 7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.271 -16.549 11.488 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.720 -15.928 12.103 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.928 -17.672 11.813 1.00 0.00 H new ATOM 451 N ILE A 35 2.514 -14.679 9.078 1.00 0.00 N ATOM 452 CA ILE A 35 1.170 -14.548 8.565 1.00 0.00 C ATOM 453 C ILE A 35 0.800 -15.763 7.721 1.00 0.00 C ATOM 454 O ILE A 35 1.402 -16.008 6.674 1.00 0.00 O ATOM 455 CB ILE A 35 1.091 -13.270 7.727 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.490 -12.093 8.615 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.325 -13.077 7.170 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.881 -10.869 7.862 1.00 0.00 C ATOM 0 H ILE A 35 3.172 -14.030 8.646 1.00 0.00 H new ATOM 0 HA ILE A 35 0.464 -14.490 9.393 1.00 0.00 H new ATOM 0 HB ILE A 35 1.769 -13.338 6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.657 -11.850 9.274 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.322 -12.397 9.251 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.361 -12.163 6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.588 -13.928 6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.033 -13.003 7.995 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.150 -10.080 8.564 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.735 -11.092 7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.044 -10.537 7.247 1.00 0.00 H new ATOM 470 N CYS A 36 -0.180 -16.497 8.175 1.00 0.00 N ATOM 471 CA CYS A 36 -0.588 -17.726 7.541 1.00 0.00 C ATOM 472 C CYS A 36 -1.824 -17.507 6.657 1.00 0.00 C ATOM 473 O CYS A 36 -2.062 -18.257 5.702 1.00 0.00 O ATOM 474 CB CYS A 36 -0.877 -18.764 8.634 1.00 0.00 C ATOM 475 SG CYS A 36 -1.177 -20.447 8.056 1.00 0.00 S ATOM 0 H CYS A 36 -0.724 -16.258 9.004 1.00 0.00 H new ATOM 0 HA CYS A 36 0.211 -18.085 6.893 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.034 -18.782 9.325 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.747 -18.434 9.202 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.662 -21.293 8.898 1.00 0.00 H new ATOM 481 N SER A 37 -2.598 -16.484 6.961 1.00 0.00 N ATOM 482 CA SER A 37 -3.804 -16.195 6.220 1.00 0.00 C ATOM 483 C SER A 37 -4.143 -14.725 6.406 1.00 0.00 C ATOM 484 O SER A 37 -3.756 -14.130 7.420 1.00 0.00 O ATOM 485 CB SER A 37 -4.959 -17.095 6.720 1.00 0.00 C ATOM 486 OG SER A 37 -6.159 -16.900 5.967 1.00 0.00 O ATOM 0 H SER A 37 -2.408 -15.835 7.724 1.00 0.00 H new ATOM 0 HA SER A 37 -3.655 -16.400 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.657 -18.140 6.655 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.153 -16.884 7.772 1.00 0.00 H new ATOM 0 HG SER A 37 -6.862 -17.488 6.314 1.00 0.00 H new ATOM 492 N LEU A 38 -4.815 -14.148 5.433 1.00 0.00 N ATOM 493 CA LEU A 38 -5.228 -12.764 5.463 1.00 0.00 C ATOM 494 C LEU A 38 -6.679 -12.677 5.030 1.00 0.00 C ATOM 495 O LEU A 38 -7.113 -13.410 4.130 1.00 0.00 O ATOM 496 CB LEU A 38 -4.349 -11.941 4.510 1.00 0.00 C ATOM 497 CG LEU A 38 -4.694 -10.459 4.358 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.535 -9.729 5.665 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.828 -9.827 3.304 1.00 0.00 C ATOM 0 H LEU A 38 -5.094 -14.638 4.583 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.121 -12.367 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.316 -12.016 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.393 -12.403 3.524 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.737 -10.386 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.787 -8.677 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.200 -10.167 6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.503 -9.813 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.085 -8.772 3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.780 -9.921 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.990 -10.329 2.350 1.00 0.00 H new ATOM 511 N MET A 39 -7.432 -11.834 5.671 1.00 0.00 N ATOM 512 CA MET A 39 -8.809 -11.634 5.325 1.00 0.00 C ATOM 513 C MET A 39 -8.930 -10.457 4.377 1.00 0.00 C ATOM 514 O MET A 39 -8.612 -9.311 4.738 1.00 0.00 O ATOM 515 CB MET A 39 -9.668 -11.416 6.572 1.00 0.00 C ATOM 516 CG MET A 39 -11.141 -11.208 6.270 1.00 0.00 C ATOM 517 SD MET A 39 -11.840 -12.580 5.333 1.00 0.00 S ATOM 518 CE MET A 39 -13.537 -12.042 5.194 1.00 0.00 C ATOM 0 H MET A 39 -7.108 -11.263 6.452 1.00 0.00 H new ATOM 0 HA MET A 39 -9.177 -12.532 4.828 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.560 -12.277 7.232 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.292 -10.549 7.115 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.689 -11.091 7.205 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.268 -10.283 5.708 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.109 -12.784 4.637 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.965 -11.926 6.190 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.574 -11.087 4.670 1.00 0.00 H new ATOM 528 N ARG A 40 -9.370 -10.749 3.178 1.00 0.00 N ATOM 529 CA ARG A 40 -9.517 -9.765 2.133 1.00 0.00 C ATOM 530 C ARG A 40 -10.602 -8.778 2.553 1.00 0.00 C ATOM 531 O ARG A 40 -11.687 -9.183 2.998 1.00 0.00 O ATOM 532 CB ARG A 40 -9.901 -10.485 0.826 1.00 0.00 C ATOM 533 CG ARG A 40 -9.623 -9.725 -0.477 1.00 0.00 C ATOM 534 CD ARG A 40 -10.479 -8.487 -0.680 1.00 0.00 C ATOM 535 NE ARG A 40 -11.900 -8.790 -0.888 1.00 0.00 N ATOM 536 CZ ARG A 40 -12.672 -8.128 -1.761 1.00 0.00 C ATOM 537 NH1 ARG A 40 -12.197 -7.033 -2.372 1.00 0.00 N ATOM 538 NH2 ARG A 40 -13.925 -8.528 -1.988 1.00 0.00 N ATOM 0 H ARG A 40 -9.640 -11.691 2.896 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.587 -9.221 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.366 -11.434 0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.965 -10.720 0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.573 -9.432 -0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.780 -10.401 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.377 -7.837 0.189 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.104 -7.931 -1.539 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.321 -9.541 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.252 -6.707 -2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.781 -6.526 -3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.298 -9.340 -1.496 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.509 -8.022 -2.653 1.00 0.00 H new ATOM 552 N GLY A 41 -10.305 -7.513 2.440 1.00 0.00 N ATOM 553 CA GLY A 41 -11.241 -6.488 2.812 1.00 0.00 C ATOM 554 C GLY A 41 -11.071 -6.049 4.254 1.00 0.00 C ATOM 555 O GLY A 41 -11.751 -5.128 4.721 1.00 0.00 O ATOM 0 H GLY A 41 -9.413 -7.165 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.114 -5.627 2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.257 -6.855 2.664 1.00 0.00 H new ATOM 559 N GLY A 42 -10.190 -6.715 4.964 1.00 0.00 N ATOM 560 CA GLY A 42 -9.927 -6.373 6.346 1.00 0.00 C ATOM 561 C GLY A 42 -8.866 -5.301 6.459 1.00 0.00 C ATOM 562 O GLY A 42 -8.195 -4.974 5.453 1.00 0.00 O ATOM 0 H GLY A 42 -9.642 -7.498 4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.847 -6.027 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.606 -7.263 6.887 1.00 0.00 H new ATOM 566 N ILE A 43 -8.680 -4.764 7.661 1.00 0.00 N ATOM 567 CA ILE A 43 -7.691 -3.711 7.879 1.00 0.00 C ATOM 568 C ILE A 43 -6.292 -4.163 7.578 1.00 0.00 C ATOM 569 O ILE A 43 -5.499 -3.387 7.068 1.00 0.00 O ATOM 570 CB ILE A 43 -7.744 -3.014 9.283 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.085 -3.984 10.439 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.627 -1.793 9.270 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.155 -3.326 11.822 1.00 0.00 C ATOM 0 H ILE A 43 -9.198 -5.038 8.496 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.984 -2.948 7.158 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.730 -2.671 9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.043 -4.458 10.228 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.336 -4.776 10.465 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.636 -1.340 10.261 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.243 -1.074 8.546 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.641 -2.080 8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.399 -4.079 12.571 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.191 -2.876 12.060 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.925 -2.554 11.819 1.00 0.00 H new ATOM 585 N ALA A 44 -5.995 -5.421 7.860 1.00 0.00 N ATOM 586 CA ALA A 44 -4.676 -5.969 7.631 1.00 0.00 C ATOM 587 C ALA A 44 -4.280 -5.883 6.169 1.00 0.00 C ATOM 588 O ALA A 44 -3.164 -5.465 5.845 1.00 0.00 O ATOM 589 CB ALA A 44 -4.617 -7.390 8.130 1.00 0.00 C ATOM 0 H ALA A 44 -6.662 -6.086 8.253 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.956 -5.372 8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.621 -7.796 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.834 -7.410 9.198 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.354 -7.993 7.599 1.00 0.00 H new ATOM 595 N GLU A 45 -5.203 -6.206 5.294 1.00 0.00 N ATOM 596 CA GLU A 45 -4.935 -6.177 3.877 1.00 0.00 C ATOM 597 C GLU A 45 -4.681 -4.744 3.421 1.00 0.00 C ATOM 598 O GLU A 45 -3.740 -4.479 2.661 1.00 0.00 O ATOM 599 CB GLU A 45 -6.083 -6.807 3.105 1.00 0.00 C ATOM 600 CG GLU A 45 -5.846 -6.851 1.616 1.00 0.00 C ATOM 601 CD GLU A 45 -6.968 -7.492 0.882 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.104 -7.012 1.003 1.00 0.00 O ATOM 603 OE2 GLU A 45 -6.726 -8.450 0.119 1.00 0.00 O ATOM 0 H GLU A 45 -6.150 -6.493 5.541 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.038 -6.762 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.245 -7.821 3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.997 -6.247 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.704 -5.837 1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.924 -7.397 1.414 1.00 0.00 H new ATOM 610 N ARG A 46 -5.483 -3.823 3.942 1.00 0.00 N ATOM 611 CA ARG A 46 -5.343 -2.399 3.635 1.00 0.00 C ATOM 612 C ARG A 46 -4.028 -1.873 4.197 1.00 0.00 C ATOM 613 O ARG A 46 -3.377 -1.022 3.604 1.00 0.00 O ATOM 614 CB ARG A 46 -6.495 -1.599 4.237 1.00 0.00 C ATOM 615 CG ARG A 46 -7.866 -1.972 3.722 1.00 0.00 C ATOM 616 CD ARG A 46 -8.931 -1.138 4.405 1.00 0.00 C ATOM 617 NE ARG A 46 -10.273 -1.426 3.904 1.00 0.00 N ATOM 618 CZ ARG A 46 -11.399 -0.928 4.433 1.00 0.00 C ATOM 619 NH1 ARG A 46 -11.343 -0.086 5.458 1.00 0.00 N ATOM 620 NH2 ARG A 46 -12.573 -1.271 3.932 1.00 0.00 N ATOM 0 H ARG A 46 -6.245 -4.037 4.585 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.357 -2.284 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.482 -1.729 5.319 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.325 -0.540 4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.911 -1.819 2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.053 -3.031 3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.900 -1.323 5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.710 -0.081 4.257 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.358 -2.047 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.440 0.185 5.847 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.203 0.290 5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.622 -1.915 3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.430 -0.892 4.335 1.00 0.00 H new ATOM 634 N GLY A 47 -3.655 -2.406 5.341 1.00 0.00 N ATOM 635 CA GLY A 47 -2.431 -2.032 6.001 1.00 0.00 C ATOM 636 C GLY A 47 -1.198 -2.451 5.225 1.00 0.00 C ATOM 637 O GLY A 47 -0.148 -1.790 5.299 1.00 0.00 O ATOM 0 H GLY A 47 -4.197 -3.113 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.416 -0.952 6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.404 -2.486 6.992 1.00 0.00 H new ATOM 641 N GLY A 48 -1.322 -3.535 4.482 1.00 0.00 N ATOM 642 CA GLY A 48 -0.220 -4.011 3.690 1.00 0.00 C ATOM 643 C GLY A 48 0.280 -5.352 4.158 1.00 0.00 C ATOM 644 O GLY A 48 1.380 -5.776 3.795 1.00 0.00 O ATOM 0 H GLY A 48 -2.172 -4.095 4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.529 -4.084 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.594 -3.287 3.731 1.00 0.00 H new ATOM 648 N VAL A 49 -0.516 -6.008 4.980 1.00 0.00 N ATOM 649 CA VAL A 49 -0.185 -7.311 5.499 1.00 0.00 C ATOM 650 C VAL A 49 -0.271 -8.326 4.365 1.00 0.00 C ATOM 651 O VAL A 49 -1.164 -8.248 3.534 1.00 0.00 O ATOM 652 CB VAL A 49 -1.151 -7.687 6.663 1.00 0.00 C ATOM 653 CG1 VAL A 49 -0.957 -9.098 7.143 1.00 0.00 C ATOM 654 CG2 VAL A 49 -0.958 -6.739 7.827 1.00 0.00 C ATOM 0 H VAL A 49 -1.413 -5.647 5.305 1.00 0.00 H new ATOM 0 HA VAL A 49 0.829 -7.308 5.899 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.164 -7.605 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.655 -9.306 7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.139 -9.790 6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.064 -9.223 7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.638 -7.011 8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.071 -6.803 8.182 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.168 -5.719 7.504 1.00 0.00 H new ATOM 664 N ARG A 50 0.682 -9.224 4.305 1.00 0.00 N ATOM 665 CA ARG A 50 0.743 -10.227 3.264 1.00 0.00 C ATOM 666 C ARG A 50 1.072 -11.538 3.859 1.00 0.00 C ATOM 667 O ARG A 50 1.838 -11.628 4.815 1.00 0.00 O ATOM 668 CB ARG A 50 1.777 -9.858 2.206 1.00 0.00 C ATOM 669 CG ARG A 50 1.438 -8.610 1.423 1.00 0.00 C ATOM 670 CD ARG A 50 0.222 -8.813 0.535 1.00 0.00 C ATOM 671 NE ARG A 50 -0.147 -7.590 -0.190 1.00 0.00 N ATOM 672 CZ ARG A 50 0.251 -7.284 -1.437 1.00 0.00 C ATOM 673 NH1 ARG A 50 1.180 -8.016 -2.049 1.00 0.00 N ATOM 674 NH2 ARG A 50 -0.253 -6.222 -2.061 1.00 0.00 N ATOM 0 H ARG A 50 1.444 -9.282 4.981 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.231 -10.281 2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.744 -9.719 2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.885 -10.692 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.250 -7.788 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.292 -8.323 0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.426 -9.610 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.620 -9.140 1.145 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.751 -6.922 0.289 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.595 -8.816 -1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.476 -7.777 -2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.944 -5.636 -1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.052 -5.994 -3.007 1.00 0.00 H new ATOM 688 N VAL A 51 0.514 -12.530 3.294 1.00 0.00 N ATOM 689 CA VAL A 51 0.665 -13.878 3.753 1.00 0.00 C ATOM 690 C VAL A 51 2.049 -14.414 3.399 1.00 0.00 C ATOM 691 O VAL A 51 2.589 -14.116 2.326 1.00 0.00 O ATOM 692 CB VAL A 51 -0.448 -14.748 3.156 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.236 -16.218 3.437 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.785 -14.324 3.707 1.00 0.00 C ATOM 0 H VAL A 51 -0.083 -12.441 2.472 1.00 0.00 H new ATOM 0 HA VAL A 51 0.577 -13.904 4.839 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.424 -14.606 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.049 -16.794 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.712 -16.538 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.218 -16.384 4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.570 -14.947 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.784 -14.437 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.970 -13.281 3.451 1.00 0.00 H new ATOM 704 N GLY A 52 2.633 -15.153 4.326 1.00 0.00 N ATOM 705 CA GLY A 52 3.952 -15.685 4.128 1.00 0.00 C ATOM 706 C GLY A 52 4.984 -14.724 4.633 1.00 0.00 C ATOM 707 O GLY A 52 6.179 -14.884 4.398 1.00 0.00 O ATOM 0 H GLY A 52 2.207 -15.393 5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.048 -16.638 4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.116 -15.882 3.069 1.00 0.00 H new ATOM 711 N HIS A 53 4.517 -13.708 5.308 1.00 0.00 N ATOM 712 CA HIS A 53 5.369 -12.692 5.856 1.00 0.00 C ATOM 713 C HIS A 53 5.576 -12.887 7.339 1.00 0.00 C ATOM 714 O HIS A 53 4.699 -13.364 8.039 1.00 0.00 O ATOM 715 CB HIS A 53 4.821 -11.291 5.586 1.00 0.00 C ATOM 716 CG HIS A 53 5.175 -10.712 4.247 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.438 -9.364 4.047 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.304 -11.295 3.037 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.715 -9.165 2.778 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.640 -10.314 2.153 1.00 0.00 N ATOM 0 H HIS A 53 3.525 -13.563 5.494 1.00 0.00 H new ATOM 0 HA HIS A 53 6.333 -12.786 5.355 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.735 -11.320 5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.187 -10.619 6.362 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.419 -8.644 4.769 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.167 -12.342 2.812 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.962 -8.215 2.327 1.00 0.00 H new ATOM 729 N ARG A 54 6.736 -12.498 7.792 1.00 0.00 N ATOM 730 CA ARG A 54 7.133 -12.601 9.181 1.00 0.00 C ATOM 731 C ARG A 54 7.081 -11.216 9.778 1.00 0.00 C ATOM 732 O ARG A 54 7.688 -10.286 9.231 1.00 0.00 O ATOM 733 CB ARG A 54 8.562 -13.169 9.246 1.00 0.00 C ATOM 734 CG ARG A 54 9.192 -13.314 10.632 1.00 0.00 C ATOM 735 CD ARG A 54 10.607 -13.892 10.508 1.00 0.00 C ATOM 736 NE ARG A 54 11.270 -14.081 11.807 1.00 0.00 N ATOM 737 CZ ARG A 54 12.602 -14.238 11.995 1.00 0.00 C ATOM 738 NH1 ARG A 54 13.447 -14.277 10.966 1.00 0.00 N ATOM 739 NH2 ARG A 54 13.088 -14.394 13.226 1.00 0.00 N ATOM 0 H ARG A 54 7.455 -12.089 7.195 1.00 0.00 H new ATOM 0 HA ARG A 54 6.470 -13.263 9.738 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.558 -14.151 8.772 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.208 -12.528 8.646 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.229 -12.344 11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.577 -13.965 11.253 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.557 -14.850 9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.212 -13.227 9.892 1.00 0.00 H new ATOM 0 HE ARG A 54 10.677 -14.095 12.636 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.095 -14.188 10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.446 -14.396 11.131 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.457 -14.395 14.027 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.091 -14.512 13.367 1.00 0.00 H new ATOM 753 N ILE A 55 6.325 -11.065 10.826 1.00 0.00 N ATOM 754 CA ILE A 55 6.200 -9.787 11.514 1.00 0.00 C ATOM 755 C ILE A 55 7.478 -9.542 12.300 1.00 0.00 C ATOM 756 O ILE A 55 7.823 -10.327 13.182 1.00 0.00 O ATOM 757 CB ILE A 55 5.030 -9.777 12.538 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.700 -10.262 11.930 1.00 0.00 C ATOM 759 CG2 ILE A 55 4.858 -8.367 13.103 1.00 0.00 C ATOM 760 CD1 ILE A 55 3.120 -9.368 10.884 1.00 0.00 C ATOM 0 H ILE A 55 5.772 -11.817 11.238 1.00 0.00 H new ATOM 0 HA ILE A 55 6.013 -9.024 10.758 1.00 0.00 H new ATOM 0 HB ILE A 55 5.290 -10.476 13.333 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.855 -11.250 11.497 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.972 -10.377 12.733 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.038 -8.360 13.821 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.778 -8.060 13.600 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.635 -7.674 12.291 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.186 -9.795 10.518 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.926 -8.385 11.312 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.824 -9.271 10.057 1.00 0.00 H new ATOM 772 N ILE A 56 8.191 -8.498 11.981 1.00 0.00 N ATOM 773 CA ILE A 56 9.392 -8.216 12.695 1.00 0.00 C ATOM 774 C ILE A 56 9.253 -7.051 13.668 1.00 0.00 C ATOM 775 O ILE A 56 10.002 -6.957 14.640 1.00 0.00 O ATOM 776 CB ILE A 56 10.643 -8.069 11.805 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.609 -6.801 10.995 1.00 0.00 C ATOM 778 CG2 ILE A 56 10.765 -9.276 10.873 1.00 0.00 C ATOM 779 CD1 ILE A 56 11.895 -6.535 10.302 1.00 0.00 C ATOM 0 H ILE A 56 7.960 -7.838 11.238 1.00 0.00 H new ATOM 0 HA ILE A 56 9.558 -9.113 13.291 1.00 0.00 H new ATOM 0 HB ILE A 56 11.511 -8.021 12.462 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.809 -6.866 10.257 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.372 -5.962 11.649 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.651 -9.165 10.248 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.851 -10.186 11.466 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.880 -9.338 10.240 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.817 -5.609 9.732 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.693 -6.441 11.039 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.121 -7.359 9.626 1.00 0.00 H new ATOM 791 N GLU A 57 8.260 -6.214 13.454 1.00 0.00 N ATOM 792 CA GLU A 57 8.067 -5.040 14.298 1.00 0.00 C ATOM 793 C GLU A 57 6.606 -4.687 14.312 1.00 0.00 C ATOM 794 O GLU A 57 5.909 -4.933 13.325 1.00 0.00 O ATOM 795 CB GLU A 57 8.896 -3.861 13.761 1.00 0.00 C ATOM 796 CG GLU A 57 8.921 -2.626 14.644 1.00 0.00 C ATOM 797 CD GLU A 57 9.683 -1.478 14.012 1.00 0.00 C ATOM 798 OE1 GLU A 57 10.926 -1.561 13.879 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.053 -0.480 13.626 1.00 0.00 O ATOM 0 H GLU A 57 7.573 -6.319 12.707 1.00 0.00 H new ATOM 0 HA GLU A 57 8.399 -5.257 15.313 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.921 -4.199 13.609 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.505 -3.580 12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.899 -2.310 14.850 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.376 -2.877 15.602 1.00 0.00 H new ATOM 806 N ILE A 58 6.147 -4.178 15.440 1.00 0.00 N ATOM 807 CA ILE A 58 4.780 -3.742 15.636 1.00 0.00 C ATOM 808 C ILE A 58 4.786 -2.508 16.523 1.00 0.00 C ATOM 809 O ILE A 58 5.350 -2.539 17.608 1.00 0.00 O ATOM 810 CB ILE A 58 3.934 -4.808 16.358 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.840 -6.089 15.555 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.529 -4.266 16.616 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.342 -7.249 16.364 1.00 0.00 C ATOM 0 H ILE A 58 6.732 -4.054 16.266 1.00 0.00 H new ATOM 0 HA ILE A 58 4.352 -3.548 14.652 1.00 0.00 H new ATOM 0 HB ILE A 58 4.427 -5.037 17.303 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.174 -5.932 14.706 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.822 -6.331 15.149 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.935 -5.024 17.127 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.592 -3.374 17.239 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.056 -4.013 15.667 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.296 -8.138 15.735 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.021 -7.429 17.198 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.347 -7.024 16.748 1.00 0.00 H new ATOM 825 N ASN A 59 4.238 -1.422 16.013 1.00 0.00 N ATOM 826 CA ASN A 59 4.007 -0.147 16.741 1.00 0.00 C ATOM 827 C ASN A 59 5.331 0.514 17.182 1.00 0.00 C ATOM 828 O ASN A 59 5.342 1.518 17.902 1.00 0.00 O ATOM 829 CB ASN A 59 3.061 -0.359 17.957 1.00 0.00 C ATOM 830 CG ASN A 59 2.318 0.916 18.382 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.810 1.722 19.162 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.106 1.078 17.894 1.00 0.00 N ATOM 0 H ASN A 59 3.922 -1.382 15.044 1.00 0.00 H new ATOM 0 HA ASN A 59 3.519 0.535 16.045 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.332 -1.130 17.710 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.643 -0.729 18.801 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.552 1.891 18.164 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.721 0.391 17.246 1.00 0.00 H new ATOM 839 N GLY A 60 6.432 -0.020 16.717 1.00 0.00 N ATOM 840 CA GLY A 60 7.708 0.517 17.074 1.00 0.00 C ATOM 841 C GLY A 60 8.549 -0.423 17.906 1.00 0.00 C ATOM 842 O GLY A 60 9.647 -0.061 18.320 1.00 0.00 O ATOM 0 H GLY A 60 6.464 -0.825 16.092 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.253 0.771 16.165 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.561 1.445 17.627 1.00 0.00 H new ATOM 846 N GLN A 61 8.051 -1.609 18.184 1.00 0.00 N ATOM 847 CA GLN A 61 8.833 -2.582 18.931 1.00 0.00 C ATOM 848 C GLN A 61 9.101 -3.785 18.078 1.00 0.00 C ATOM 849 O GLN A 61 8.209 -4.247 17.354 1.00 0.00 O ATOM 850 CB GLN A 61 8.189 -2.974 20.282 1.00 0.00 C ATOM 851 CG GLN A 61 6.806 -3.602 20.192 1.00 0.00 C ATOM 852 CD GLN A 61 6.290 -4.072 21.538 1.00 0.00 C ATOM 853 OE1 GLN A 61 5.644 -3.324 22.267 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.568 -5.308 21.878 1.00 0.00 N ATOM 0 H GLN A 61 7.120 -1.924 17.910 1.00 0.00 H new ATOM 0 HA GLN A 61 9.781 -2.109 19.187 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.853 -3.672 20.792 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.124 -2.082 20.906 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.108 -2.877 19.773 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.839 -4.447 19.504 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.107 -5.901 21.247 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.245 -5.676 22.773 1.00 0.00 H new ATOM 863 N SER A 62 10.318 -4.266 18.123 1.00 0.00 N ATOM 864 CA SER A 62 10.706 -5.410 17.357 1.00 0.00 C ATOM 865 C SER A 62 10.135 -6.648 18.024 1.00 0.00 C ATOM 866 O SER A 62 10.573 -7.049 19.102 1.00 0.00 O ATOM 867 CB SER A 62 12.225 -5.489 17.295 1.00 0.00 C ATOM 868 OG SER A 62 12.782 -4.246 16.879 1.00 0.00 O ATOM 0 H SER A 62 11.064 -3.870 18.695 1.00 0.00 H new ATOM 0 HA SER A 62 10.324 -5.336 16.339 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.619 -5.759 18.275 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.524 -6.276 16.603 1.00 0.00 H new ATOM 0 HG SER A 62 13.759 -4.319 16.848 1.00 0.00 H new ATOM 874 N VAL A 63 9.155 -7.244 17.402 1.00 0.00 N ATOM 875 CA VAL A 63 8.467 -8.349 17.982 1.00 0.00 C ATOM 876 C VAL A 63 8.940 -9.624 17.342 1.00 0.00 C ATOM 877 O VAL A 63 8.402 -10.701 17.561 1.00 0.00 O ATOM 878 CB VAL A 63 6.962 -8.175 17.799 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.531 -6.835 18.406 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.614 -8.255 16.326 1.00 0.00 C ATOM 0 H VAL A 63 8.816 -6.972 16.479 1.00 0.00 H new ATOM 0 HA VAL A 63 8.679 -8.395 19.050 1.00 0.00 H new ATOM 0 HB VAL A 63 6.426 -8.973 18.313 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.456 -6.706 18.278 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.774 -6.822 19.469 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.056 -6.022 17.904 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.539 -8.130 16.199 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.137 -7.466 15.785 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.916 -9.226 15.933 1.00 0.00 H new ATOM 890 N VAL A 64 10.005 -9.490 16.599 1.00 0.00 N ATOM 891 CA VAL A 64 10.607 -10.586 15.897 1.00 0.00 C ATOM 892 C VAL A 64 11.287 -11.541 16.892 1.00 0.00 C ATOM 893 O VAL A 64 11.608 -12.685 16.580 1.00 0.00 O ATOM 894 CB VAL A 64 11.614 -10.048 14.865 1.00 0.00 C ATOM 895 CG1 VAL A 64 12.925 -9.605 15.488 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.793 -11.009 13.734 1.00 0.00 C ATOM 0 H VAL A 64 10.485 -8.600 16.464 1.00 0.00 H new ATOM 0 HA VAL A 64 9.837 -11.147 15.367 1.00 0.00 H new ATOM 0 HB VAL A 64 11.186 -9.138 14.444 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.592 -9.236 14.709 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.735 -8.810 16.209 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.391 -10.450 15.994 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.510 -10.602 13.021 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.164 -11.959 14.119 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.836 -11.168 13.236 1.00 0.00 H new ATOM 906 N ALA A 65 11.462 -11.052 18.098 1.00 0.00 N ATOM 907 CA ALA A 65 12.064 -11.788 19.164 1.00 0.00 C ATOM 908 C ALA A 65 11.061 -11.934 20.304 1.00 0.00 C ATOM 909 O ALA A 65 11.404 -12.323 21.421 1.00 0.00 O ATOM 910 CB ALA A 65 13.296 -11.056 19.621 1.00 0.00 C ATOM 0 H ALA A 65 11.180 -10.108 18.362 1.00 0.00 H new ATOM 0 HA ALA A 65 12.350 -12.785 18.829 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.766 -11.608 20.435 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.996 -10.969 18.790 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.020 -10.061 19.969 1.00 0.00 H new ATOM 916 N THR A 66 9.833 -11.638 19.997 1.00 0.00 N ATOM 917 CA THR A 66 8.753 -11.688 20.911 1.00 0.00 C ATOM 918 C THR A 66 7.978 -12.984 20.648 1.00 0.00 C ATOM 919 O THR A 66 7.813 -13.374 19.497 1.00 0.00 O ATOM 920 CB THR A 66 7.888 -10.433 20.653 1.00 0.00 C ATOM 921 OG1 THR A 66 8.703 -9.279 20.876 1.00 0.00 O ATOM 922 CG2 THR A 66 6.673 -10.351 21.533 1.00 0.00 C ATOM 0 H THR A 66 9.555 -11.344 19.061 1.00 0.00 H new ATOM 0 HA THR A 66 9.073 -11.690 21.953 1.00 0.00 H new ATOM 0 HB THR A 66 7.526 -10.489 19.627 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.130 -8.499 21.033 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.113 -9.446 21.297 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.041 -11.223 21.363 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.982 -10.325 22.578 1.00 0.00 H new ATOM 930 N PRO A 67 7.600 -13.728 21.698 1.00 0.00 N ATOM 931 CA PRO A 67 6.835 -14.961 21.535 1.00 0.00 C ATOM 932 C PRO A 67 5.429 -14.689 20.982 1.00 0.00 C ATOM 933 O PRO A 67 4.899 -13.573 21.131 1.00 0.00 O ATOM 934 CB PRO A 67 6.763 -15.543 22.956 1.00 0.00 C ATOM 935 CG PRO A 67 7.009 -14.391 23.865 1.00 0.00 C ATOM 936 CD PRO A 67 7.903 -13.444 23.117 1.00 0.00 C ATOM 0 HA PRO A 67 7.299 -15.641 20.820 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.789 -15.994 23.147 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.510 -16.324 23.100 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.072 -13.906 24.139 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.480 -14.721 24.791 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.691 -12.406 23.372 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.954 -13.620 23.346 1.00 0.00 H new ATOM 944 N HIS A 68 4.855 -15.707 20.349 1.00 0.00 N ATOM 945 CA HIS A 68 3.521 -15.689 19.741 1.00 0.00 C ATOM 946 C HIS A 68 2.483 -15.011 20.615 1.00 0.00 C ATOM 947 O HIS A 68 1.800 -14.109 20.157 1.00 0.00 O ATOM 948 CB HIS A 68 3.091 -17.141 19.402 1.00 0.00 C ATOM 949 CG HIS A 68 1.608 -17.361 19.148 1.00 0.00 C ATOM 950 ND1 HIS A 68 1.000 -17.186 17.925 1.00 0.00 N ATOM 951 CD2 HIS A 68 0.630 -17.783 19.982 1.00 0.00 C ATOM 952 CE1 HIS A 68 -0.279 -17.496 18.027 1.00 0.00 C ATOM 953 NE2 HIS A 68 -0.526 -17.863 19.254 1.00 0.00 N ATOM 0 H HIS A 68 5.323 -16.607 20.239 1.00 0.00 H new ATOM 0 HA HIS A 68 3.582 -15.097 18.828 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.641 -17.464 18.518 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.398 -17.789 20.223 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.741 -18.015 21.031 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.002 -17.453 17.226 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.433 -18.161 19.613 1.00 0.00 H new ATOM 962 N GLU A 69 2.391 -15.444 21.849 1.00 0.00 N ATOM 963 CA GLU A 69 1.394 -14.952 22.782 1.00 0.00 C ATOM 964 C GLU A 69 1.514 -13.454 22.967 1.00 0.00 C ATOM 965 O GLU A 69 0.525 -12.739 22.983 1.00 0.00 O ATOM 966 CB GLU A 69 1.573 -15.632 24.102 1.00 0.00 C ATOM 967 CG GLU A 69 0.530 -15.285 25.129 1.00 0.00 C ATOM 968 CD GLU A 69 0.794 -15.962 26.431 1.00 0.00 C ATOM 969 OE1 GLU A 69 1.639 -15.465 27.215 1.00 0.00 O ATOM 970 OE2 GLU A 69 0.200 -17.015 26.696 1.00 0.00 O ATOM 0 H GLU A 69 3.009 -16.154 22.242 1.00 0.00 H new ATOM 0 HA GLU A 69 0.405 -15.170 22.378 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.565 -16.711 23.945 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.555 -15.375 24.499 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.510 -14.205 25.277 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.454 -15.575 24.761 1.00 0.00 H new ATOM 977 N LYS A 70 2.732 -12.995 23.086 1.00 0.00 N ATOM 978 CA LYS A 70 3.002 -11.592 23.236 1.00 0.00 C ATOM 979 C LYS A 70 2.637 -10.853 21.984 1.00 0.00 C ATOM 980 O LYS A 70 1.822 -9.971 22.039 1.00 0.00 O ATOM 981 CB LYS A 70 4.444 -11.362 23.655 1.00 0.00 C ATOM 982 CG LYS A 70 4.716 -11.166 25.165 1.00 0.00 C ATOM 983 CD LYS A 70 4.123 -12.227 26.103 1.00 0.00 C ATOM 984 CE LYS A 70 2.644 -11.982 26.400 1.00 0.00 C ATOM 985 NZ LYS A 70 2.118 -12.864 27.459 1.00 0.00 N ATOM 0 H LYS A 70 3.564 -13.585 23.081 1.00 0.00 H new ATOM 0 HA LYS A 70 2.378 -11.192 24.036 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.035 -12.211 23.312 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.813 -10.482 23.128 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.795 -11.138 25.318 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.326 -10.192 25.460 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.242 -13.213 25.653 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.682 -12.234 27.039 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.506 -10.943 26.698 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.066 -12.132 25.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.149 -12.576 27.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.112 -13.847 27.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.722 -12.792 28.303 1.00 0.00 H new ATOM 999 N ILE A 71 3.162 -11.282 20.857 1.00 0.00 N ATOM 1000 CA ILE A 71 2.851 -10.671 19.548 1.00 0.00 C ATOM 1001 C ILE A 71 1.319 -10.548 19.362 1.00 0.00 C ATOM 1002 O ILE A 71 0.808 -9.495 18.949 1.00 0.00 O ATOM 1003 CB ILE A 71 3.433 -11.516 18.367 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.946 -11.679 18.512 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.114 -10.867 17.027 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.600 -12.450 17.382 1.00 0.00 C ATOM 0 H ILE A 71 3.817 -12.062 20.804 1.00 0.00 H new ATOM 0 HA ILE A 71 3.311 -9.683 19.536 1.00 0.00 H new ATOM 0 HB ILE A 71 2.966 -12.500 18.402 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.402 -10.691 18.574 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.157 -12.187 19.453 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.529 -11.473 16.221 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.033 -10.794 16.906 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.551 -9.869 16.993 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.673 -12.520 17.562 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.174 -13.452 17.331 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.424 -11.933 16.439 1.00 0.00 H new ATOM 1018 N VAL A 72 0.603 -11.592 19.750 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.843 -11.605 19.649 1.00 0.00 C ATOM 1020 C VAL A 72 -1.472 -10.638 20.657 1.00 0.00 C ATOM 1021 O VAL A 72 -2.421 -9.928 20.327 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.414 -13.044 19.822 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -2.938 -13.054 19.898 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.954 -13.912 18.666 1.00 0.00 C ATOM 0 H VAL A 72 1.005 -12.445 20.140 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.106 -11.266 18.647 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.037 -13.439 20.765 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.290 -14.079 20.018 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.264 -12.456 20.749 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.351 -12.634 18.981 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.353 -14.919 18.786 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.313 -13.489 17.728 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.135 -13.952 18.652 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.895 -10.561 21.847 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.411 -9.713 22.918 1.00 0.00 C ATOM 1036 C HIS A 73 -1.211 -8.241 22.558 1.00 0.00 C ATOM 1037 O HIS A 73 -2.098 -7.416 22.805 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.732 -10.049 24.264 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.353 -9.394 25.475 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.255 -10.034 26.286 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -1.176 -8.164 26.024 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -2.609 -9.241 27.271 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -1.969 -8.102 27.136 1.00 0.00 N ATOM 0 H HIS A 73 -0.056 -11.083 22.100 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.478 -9.903 23.031 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.753 -11.130 24.404 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.316 -9.755 24.208 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.530 -7.382 25.652 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.307 -9.484 28.058 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.051 -7.300 27.761 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.060 -7.927 21.961 1.00 0.00 N ATOM 1053 CA ILE A 74 0.228 -6.593 21.497 1.00 0.00 C ATOM 1054 C ILE A 74 -0.785 -6.203 20.410 1.00 0.00 C ATOM 1055 O ILE A 74 -1.484 -5.208 20.547 1.00 0.00 O ATOM 1056 CB ILE A 74 1.716 -6.415 20.970 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.769 -6.289 22.107 1.00 0.00 C ATOM 1058 CG2 ILE A 74 1.837 -5.227 20.045 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.067 -7.537 22.895 1.00 0.00 C ATOM 0 H ILE A 74 0.690 -8.598 21.792 1.00 0.00 H new ATOM 0 HA ILE A 74 0.136 -5.925 22.353 1.00 0.00 H new ATOM 0 HB ILE A 74 1.934 -7.332 20.423 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.701 -5.933 21.669 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.429 -5.521 22.802 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.868 -5.135 19.704 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.181 -5.367 19.186 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.549 -4.321 20.577 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.816 -7.317 23.656 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.155 -7.891 23.375 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.447 -8.308 22.225 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.918 -7.043 19.374 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.861 -6.774 18.268 1.00 0.00 C ATOM 1073 C LEU A 75 -3.293 -6.689 18.765 1.00 0.00 C ATOM 1074 O LEU A 75 -4.090 -5.935 18.243 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.754 -7.843 17.182 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.436 -7.885 16.416 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.422 -9.066 15.462 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.221 -6.579 15.654 1.00 0.00 C ATOM 0 H LEU A 75 -0.390 -7.910 19.274 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.586 -5.809 17.842 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.916 -8.818 17.642 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.563 -7.689 16.467 1.00 0.00 H new ATOM 0 HG LEU A 75 0.379 -8.005 17.129 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.524 -9.085 14.921 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.536 -9.991 16.027 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.244 -8.970 14.753 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.724 -6.625 15.113 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.037 -6.432 14.947 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.196 -5.747 16.358 1.00 0.00 H new ATOM 1090 N SER A 76 -3.591 -7.455 19.782 1.00 0.00 N ATOM 1091 CA SER A 76 -4.895 -7.484 20.398 1.00 0.00 C ATOM 1092 C SER A 76 -5.242 -6.132 21.029 1.00 0.00 C ATOM 1093 O SER A 76 -6.370 -5.678 20.917 1.00 0.00 O ATOM 1094 CB SER A 76 -4.927 -8.614 21.461 1.00 0.00 C ATOM 1095 OG SER A 76 -6.186 -8.762 22.123 1.00 0.00 O ATOM 0 H SER A 76 -2.921 -8.090 20.215 1.00 0.00 H new ATOM 0 HA SER A 76 -5.645 -7.683 19.633 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.669 -9.557 20.980 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.158 -8.417 22.208 1.00 0.00 H new ATOM 0 HG SER A 76 -6.129 -9.492 22.775 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.262 -5.458 21.612 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.551 -4.252 22.389 1.00 0.00 C ATOM 1103 C ASN A 77 -4.064 -2.961 21.738 1.00 0.00 C ATOM 1104 O ASN A 77 -4.413 -1.861 22.187 1.00 0.00 O ATOM 1105 CB ASN A 77 -4.014 -4.384 23.826 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.699 -5.500 24.609 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.732 -5.292 25.254 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -4.136 -6.686 24.562 1.00 0.00 N ATOM 0 H ASN A 77 -3.276 -5.715 21.567 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.638 -4.172 22.420 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.941 -4.574 23.793 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.154 -3.439 24.350 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.552 -7.468 25.067 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.283 -6.825 24.020 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.285 -3.071 20.693 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.775 -1.896 20.012 1.00 0.00 C ATOM 1117 C ALA A 78 -3.735 -1.442 18.926 1.00 0.00 C ATOM 1118 O ALA A 78 -4.196 -2.253 18.133 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.378 -2.146 19.437 1.00 0.00 C ATOM 0 H ALA A 78 -2.987 -3.960 20.291 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.691 -1.097 20.748 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.025 -1.246 18.933 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.693 -2.402 20.245 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.420 -2.968 18.723 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.070 -0.161 18.925 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.944 0.408 17.904 1.00 0.00 C ATOM 1127 C VAL A 79 -4.249 1.666 17.313 1.00 0.00 C ATOM 1128 O VAL A 79 -3.165 2.053 17.788 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.391 0.766 18.470 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.804 -0.140 19.561 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.595 2.208 18.851 1.00 0.00 C ATOM 0 H VAL A 79 -3.749 0.510 19.623 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.104 -0.337 17.124 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.050 0.605 17.617 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.796 0.144 19.914 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.829 -1.165 19.192 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.092 -0.068 20.383 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.610 2.346 19.223 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.883 2.483 19.629 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.440 2.841 17.977 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.850 2.290 16.310 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.283 3.477 15.710 1.00 0.00 C ATOM 1143 C GLY A 80 -3.365 3.136 14.576 1.00 0.00 C ATOM 1144 O GLY A 80 -3.461 2.044 14.029 1.00 0.00 O ATOM 0 H GLY A 80 -5.733 1.988 15.897 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.085 4.121 15.349 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.736 4.041 16.465 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.513 4.075 14.212 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.491 3.895 13.203 1.00 0.00 C ATOM 1150 C GLU A 81 -0.362 3.068 13.789 1.00 0.00 C ATOM 1151 O GLU A 81 0.407 3.533 14.657 1.00 0.00 O ATOM 1152 CB GLU A 81 -0.992 5.265 12.742 1.00 0.00 C ATOM 1153 CG GLU A 81 -2.036 6.041 11.965 1.00 0.00 C ATOM 1154 CD GLU A 81 -1.753 7.509 11.879 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -0.863 7.920 11.102 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -2.448 8.289 12.583 1.00 0.00 O ATOM 0 H GLU A 81 -2.514 5.009 14.622 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.894 3.369 12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.687 5.847 13.612 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.107 5.133 12.120 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.103 5.633 10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.009 5.894 12.434 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.273 1.861 13.331 1.00 0.00 N ATOM 1164 CA ILE A 82 0.657 0.896 13.849 1.00 0.00 C ATOM 1165 C ILE A 82 1.646 0.518 12.766 1.00 0.00 C ATOM 1166 O ILE A 82 1.257 -0.012 11.722 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.124 -0.375 14.311 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.190 0.019 15.347 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.822 -1.425 14.892 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.141 -1.089 15.724 1.00 0.00 C ATOM 0 H ILE A 82 -0.854 1.506 12.571 1.00 0.00 H new ATOM 0 HA ILE A 82 1.194 1.322 14.696 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.613 -0.814 13.441 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.689 0.372 16.248 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.767 0.857 14.955 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.249 -2.298 15.205 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.548 -1.720 14.134 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.345 -1.007 15.752 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.857 -0.720 16.459 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.675 -1.428 14.836 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.580 -1.921 16.150 1.00 0.00 H new ATOM 1182 N HIS A 83 2.910 0.810 13.008 1.00 0.00 N ATOM 1183 CA HIS A 83 3.975 0.472 12.072 1.00 0.00 C ATOM 1184 C HIS A 83 4.399 -0.930 12.324 1.00 0.00 C ATOM 1185 O HIS A 83 4.845 -1.266 13.407 1.00 0.00 O ATOM 1186 CB HIS A 83 5.226 1.357 12.228 1.00 0.00 C ATOM 1187 CG HIS A 83 5.050 2.822 12.033 1.00 0.00 C ATOM 1188 ND1 HIS A 83 5.505 3.753 12.937 1.00 0.00 N ATOM 1189 CD2 HIS A 83 4.526 3.524 11.011 1.00 0.00 C ATOM 1190 CE1 HIS A 83 5.261 4.954 12.484 1.00 0.00 C ATOM 1191 NE2 HIS A 83 4.668 4.848 11.316 1.00 0.00 N ATOM 0 H HIS A 83 3.230 1.285 13.852 1.00 0.00 H new ATOM 0 HA HIS A 83 3.573 0.622 11.070 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.632 1.195 13.227 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.977 1.009 11.518 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.077 3.117 10.117 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.506 5.879 12.985 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.363 5.627 10.732 1.00 0.00 H new ATOM 1200 N MET A 84 4.214 -1.726 11.378 1.00 0.00 N ATOM 1201 CA MET A 84 4.627 -3.065 11.417 1.00 0.00 C ATOM 1202 C MET A 84 5.619 -3.291 10.320 1.00 0.00 C ATOM 1203 O MET A 84 5.512 -2.701 9.269 1.00 0.00 O ATOM 1204 CB MET A 84 3.436 -3.922 11.189 1.00 0.00 C ATOM 1205 CG MET A 84 2.548 -4.133 12.394 1.00 0.00 C ATOM 1206 SD MET A 84 0.962 -4.844 11.932 1.00 0.00 S ATOM 1207 CE MET A 84 1.475 -5.821 10.532 1.00 0.00 C ATOM 0 H MET A 84 3.750 -1.464 10.508 1.00 0.00 H new ATOM 0 HA MET A 84 5.083 -3.304 12.378 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.839 -3.480 10.392 1.00 0.00 H new ATOM 0 HB3 MET A 84 3.773 -4.895 10.832 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.049 -4.790 13.105 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.387 -3.181 12.899 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.657 -6.472 10.223 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.745 -5.161 9.707 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.337 -6.428 10.808 1.00 0.00 H new ATOM 1217 N LYS A 85 6.575 -4.111 10.544 1.00 0.00 N ATOM 1218 CA LYS A 85 7.521 -4.424 9.522 1.00 0.00 C ATOM 1219 C LYS A 85 7.387 -5.869 9.269 1.00 0.00 C ATOM 1220 O LYS A 85 7.431 -6.662 10.200 1.00 0.00 O ATOM 1221 CB LYS A 85 8.949 -4.126 9.951 1.00 0.00 C ATOM 1222 CG LYS A 85 9.250 -2.709 10.290 1.00 0.00 C ATOM 1223 CD LYS A 85 9.322 -1.867 9.062 1.00 0.00 C ATOM 1224 CE LYS A 85 9.982 -0.571 9.363 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.119 0.275 8.170 1.00 0.00 N ATOM 0 H LYS A 85 6.731 -4.586 11.433 1.00 0.00 H new ATOM 0 HA LYS A 85 7.323 -3.819 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.182 -4.743 10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.620 -4.437 9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.480 -2.320 10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.196 -2.654 10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.876 -2.393 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.319 -1.690 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.405 -0.039 10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.968 -0.758 9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.038 1.275 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.047 0.109 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.368 0.040 7.490 1.00 0.00 H new ATOM 1239 N THR A 86 7.138 -6.221 8.074 1.00 0.00 N ATOM 1240 CA THR A 86 7.023 -7.601 7.743 1.00 0.00 C ATOM 1241 C THR A 86 8.080 -7.977 6.723 1.00 0.00 C ATOM 1242 O THR A 86 8.375 -7.203 5.829 1.00 0.00 O ATOM 1243 CB THR A 86 5.610 -7.956 7.218 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.323 -7.257 5.991 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.545 -7.614 8.247 1.00 0.00 C ATOM 0 H THR A 86 7.007 -5.577 7.294 1.00 0.00 H new ATOM 0 HA THR A 86 7.180 -8.177 8.655 1.00 0.00 H new ATOM 0 HB THR A 86 5.596 -9.030 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.632 -6.330 6.063 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.562 -7.873 7.853 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.729 -8.177 9.162 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.579 -6.546 8.465 1.00 0.00 H new ATOM 1253 N MET A 87 8.664 -9.127 6.874 1.00 0.00 N ATOM 1254 CA MET A 87 9.662 -9.602 5.937 1.00 0.00 C ATOM 1255 C MET A 87 9.075 -10.795 5.253 1.00 0.00 C ATOM 1256 O MET A 87 8.081 -11.311 5.741 1.00 0.00 O ATOM 1257 CB MET A 87 10.947 -10.004 6.673 1.00 0.00 C ATOM 1258 CG MET A 87 11.630 -8.867 7.379 1.00 0.00 C ATOM 1259 SD MET A 87 13.166 -9.356 8.177 1.00 0.00 S ATOM 1260 CE MET A 87 14.169 -9.779 6.753 1.00 0.00 C ATOM 0 H MET A 87 8.470 -9.767 7.644 1.00 0.00 H new ATOM 0 HA MET A 87 9.922 -8.821 5.223 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.709 -10.779 7.401 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.642 -10.443 5.956 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.837 -8.073 6.662 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.954 -8.453 8.127 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.222 -9.774 7.035 1.00 0.00 H new ATOM 0 HE2 MET A 87 13.894 -10.771 6.396 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.002 -9.049 5.961 1.00 0.00 H new ATOM 1270 N PRO A 88 9.647 -11.293 4.146 1.00 0.00 N ATOM 1271 CA PRO A 88 9.135 -12.493 3.441 1.00 0.00 C ATOM 1272 C PRO A 88 9.418 -13.794 4.212 1.00 0.00 C ATOM 1273 O PRO A 88 9.565 -14.855 3.623 1.00 0.00 O ATOM 1274 CB PRO A 88 9.915 -12.487 2.115 1.00 0.00 C ATOM 1275 CG PRO A 88 10.535 -11.141 2.023 1.00 0.00 C ATOM 1276 CD PRO A 88 10.797 -10.722 3.430 1.00 0.00 C ATOM 0 HA PRO A 88 8.052 -12.459 3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.674 -13.270 2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.252 -12.672 1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.459 -11.174 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.871 -10.437 1.522 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.743 -11.115 3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.841 -9.637 3.530 1.00 0.00 H new ATOM 1284 N ALA A 89 9.436 -13.684 5.532 1.00 0.00 N ATOM 1285 CA ALA A 89 9.726 -14.769 6.439 1.00 0.00 C ATOM 1286 C ALA A 89 11.067 -15.390 6.140 1.00 0.00 C ATOM 1287 O ALA A 89 11.191 -16.570 5.798 1.00 0.00 O ATOM 1288 CB ALA A 89 8.585 -15.769 6.513 1.00 0.00 C ATOM 0 H ALA A 89 9.242 -12.805 6.011 1.00 0.00 H new ATOM 0 HA ALA A 89 9.807 -14.357 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.846 -16.568 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.683 -15.266 6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.406 -16.191 5.524 1.00 0.00 H new ATOM 1294 N ALA A 90 12.045 -14.548 6.182 1.00 0.00 N ATOM 1295 CA ALA A 90 13.405 -14.924 5.999 1.00 0.00 C ATOM 1296 C ALA A 90 14.204 -14.280 7.111 1.00 0.00 C ATOM 1297 O ALA A 90 14.931 -13.298 6.859 1.00 0.00 O ATOM 1298 CB ALA A 90 13.894 -14.462 4.633 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.036 -14.701 8.273 1.00 0.00 O ATOM 0 H ALA A 90 11.915 -13.550 6.350 1.00 0.00 H new ATOM 0 HA ALA A 90 13.521 -16.007 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.936 -14.754 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.287 -14.923 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.810 -13.377 4.564 1.00 0.00 H new