USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 852 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 77 GLN : amide:sc= -0.823 K(o=-3.3,f=-5!) USER MOD Set 1.2: A 79 HIS : no HE2:sc= -2.49 K(o=-3.3,f=-4.8) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc=-0.00845 USER MOD Set 2.2: A 75 LYS NZ :NH3+ -179:sc= -0.165 (180deg=-0.166) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= -2.45 (180deg=-2.52) USER MOD Single : A 14 LYS NZ :NH3+ -92:sc= -0.0446 (180deg=-0.135) USER MOD Single : A 16 SER OG : rot 58:sc= 0.047 USER MOD Single : A 19 ASN : amide:sc= -2.19! C(o=-2.2!,f=-8.4!) USER MOD Single : A 20 THR OG1 : rot 20:sc= -2.42 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 178:sc= -7.51! (180deg=-7.55!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -1.07 USER MOD Single : A 42 ASN : amide:sc= 0.0383 X(o=0.038,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -134:sc= -0.103 (180deg=-0.476) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= -0.0396 (180deg=-0.363) USER MOD Single : A 53 SER OG : rot 104:sc= 0.173 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 94:sc= 0.0474 USER MOD Single : A 57 SER OG : rot 20:sc= -0.201! USER MOD Single : A 59 CYS SG : rot -71:sc= -7.04! USER MOD Single : A 60 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.9!) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc=-0.00457 (180deg=-0.0646) USER MOD Single : A 66 MET CE :methyl 148:sc= -0.175 (180deg=-1.47) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 73 THR OG1 : rot 170:sc= -0.355 USER MOD Single : A 76 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.049) USER MOD Single : A 82 GLN : amide:sc= -0.246 X(o=-0.25,f=0.0077) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.399 F(o=-2.1,f=-0.4) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= -0.0411 USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -8.630 8.289 4.091 1.00 0.00 N ATOM 72 CA ARG A 5 -7.776 7.074 3.956 1.00 0.00 C ATOM 73 C ARG A 5 -7.710 6.343 5.297 1.00 0.00 C ATOM 74 O ARG A 5 -8.006 6.903 6.335 1.00 0.00 O ATOM 75 CB ARG A 5 -6.363 7.486 3.534 1.00 0.00 C ATOM 76 CG ARG A 5 -6.442 8.677 2.577 1.00 0.00 C ATOM 77 CD ARG A 5 -5.893 9.924 3.272 1.00 0.00 C ATOM 78 NE ARG A 5 -5.602 10.974 2.256 1.00 0.00 N ATOM 79 CZ ARG A 5 -5.174 12.147 2.636 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.527 12.271 3.761 1.00 0.00 N ATOM 81 NH2 ARG A 5 -5.393 13.196 1.890 1.00 0.00 N ATOM 0 HA ARG A 5 -8.205 6.414 3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.773 7.750 4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.858 6.650 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.870 8.470 1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.475 8.843 2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.616 10.296 3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.986 9.676 3.824 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.737 10.776 1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.355 11.452 4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.192 13.187 4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.899 13.099 1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.058 14.112 2.188 1.00 0.00 H new ATOM 95 N ILE A 6 -7.324 5.097 5.287 1.00 0.00 N ATOM 96 CA ILE A 6 -7.238 4.334 6.563 1.00 0.00 C ATOM 97 C ILE A 6 -5.834 4.486 7.153 1.00 0.00 C ATOM 98 O ILE A 6 -5.654 4.493 8.354 1.00 0.00 O ATOM 99 CB ILE A 6 -7.523 2.855 6.295 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.694 2.730 5.317 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.880 2.157 7.609 1.00 0.00 C ATOM 102 CD1 ILE A 6 -8.701 1.330 4.702 1.00 0.00 C ATOM 0 H ILE A 6 -7.065 4.575 4.450 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.973 4.722 7.269 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.638 2.387 5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.635 2.915 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.608 3.482 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.083 1.103 7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.047 2.245 8.306 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.765 2.625 8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.535 1.243 4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.765 1.162 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.808 0.586 5.492 1.00 0.00 H new ATOM 114 N ARG A 7 -4.837 4.611 6.318 1.00 0.00 N ATOM 115 CA ARG A 7 -3.449 4.766 6.839 1.00 0.00 C ATOM 116 C ARG A 7 -2.695 5.794 5.999 1.00 0.00 C ATOM 117 O ARG A 7 -3.028 6.046 4.859 1.00 0.00 O ATOM 118 CB ARG A 7 -2.716 3.432 6.757 1.00 0.00 C ATOM 119 CG ARG A 7 -1.474 3.483 7.644 1.00 0.00 C ATOM 120 CD ARG A 7 -1.519 2.328 8.638 1.00 0.00 C ATOM 121 NE ARG A 7 -0.232 2.265 9.385 1.00 0.00 N ATOM 122 CZ ARG A 7 0.179 3.302 10.061 1.00 0.00 C ATOM 123 NH1 ARG A 7 0.599 4.366 9.433 1.00 0.00 N ATOM 124 NH2 ARG A 7 0.169 3.275 11.365 1.00 0.00 N ATOM 0 H ARG A 7 -4.924 4.612 5.302 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.496 5.099 7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.373 2.623 7.077 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.432 3.223 5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.574 3.418 7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.431 4.434 8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.348 2.464 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.693 1.389 8.113 1.00 0.00 H new ATOM 0 HE ARG A 7 0.327 1.412 9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.606 4.387 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.920 5.177 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.160 2.443 11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.490 4.086 11.894 1.00 0.00 H new ATOM 138 N GLU A 8 -1.668 6.377 6.551 1.00 0.00 N ATOM 139 CA GLU A 8 -0.881 7.377 5.782 1.00 0.00 C ATOM 140 C GLU A 8 0.379 7.739 6.558 1.00 0.00 C ATOM 141 O GLU A 8 0.328 8.125 7.709 1.00 0.00 O ATOM 142 CB GLU A 8 -1.719 8.633 5.559 1.00 0.00 C ATOM 143 CG GLU A 8 -2.481 8.977 6.839 1.00 0.00 C ATOM 144 CD GLU A 8 -3.822 8.241 6.850 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.673 8.591 6.049 1.00 0.00 O ATOM 146 OE2 GLU A 8 -3.975 7.340 7.658 1.00 0.00 O ATOM 0 H GLU A 8 -1.341 6.203 7.501 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.606 6.952 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.076 9.465 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.419 8.474 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.892 8.695 7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.644 10.053 6.899 1.00 0.00 H new ATOM 153 N GLY A 9 1.512 7.618 5.932 1.00 0.00 N ATOM 154 CA GLY A 9 2.782 7.952 6.618 1.00 0.00 C ATOM 155 C GLY A 9 3.877 8.140 5.571 1.00 0.00 C ATOM 156 O GLY A 9 3.629 8.591 4.470 1.00 0.00 O ATOM 0 H GLY A 9 1.612 7.300 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.664 8.862 7.207 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.056 7.157 7.311 1.00 0.00 H new ATOM 160 N TYR A 10 5.082 7.798 5.905 1.00 0.00 N ATOM 161 CA TYR A 10 6.197 7.962 4.933 1.00 0.00 C ATOM 162 C TYR A 10 7.099 6.724 4.948 1.00 0.00 C ATOM 163 O TYR A 10 8.045 6.644 5.706 1.00 0.00 O ATOM 164 CB TYR A 10 7.024 9.191 5.314 1.00 0.00 C ATOM 165 CG TYR A 10 7.236 9.208 6.809 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.205 9.632 7.658 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.463 8.796 7.349 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.401 9.645 9.045 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.658 8.810 8.736 1.00 0.00 C ATOM 170 CZ TYR A 10 7.627 9.234 9.584 1.00 0.00 C ATOM 171 OH TYR A 10 7.818 9.247 10.951 1.00 0.00 O ATOM 0 H TYR A 10 5.348 7.411 6.810 1.00 0.00 H new ATOM 0 HA TYR A 10 5.780 8.088 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.985 9.171 4.799 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.512 10.100 4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.259 9.949 7.243 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.258 8.468 6.695 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.606 9.972 9.699 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.603 8.494 9.152 1.00 0.00 H new ATOM 0 HH TYR A 10 8.722 8.931 11.158 1.00 0.00 H new ATOM 181 N LEU A 11 6.830 5.768 4.100 1.00 0.00 N ATOM 182 CA LEU A 11 7.696 4.554 4.054 1.00 0.00 C ATOM 183 C LEU A 11 8.480 4.578 2.743 1.00 0.00 C ATOM 184 O LEU A 11 8.199 5.364 1.867 1.00 0.00 O ATOM 185 CB LEU A 11 6.850 3.275 4.116 1.00 0.00 C ATOM 186 CG LEU A 11 5.673 3.432 5.092 1.00 0.00 C ATOM 187 CD1 LEU A 11 6.050 4.356 6.255 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.477 4.012 4.341 1.00 0.00 C ATOM 0 H LEU A 11 6.052 5.774 3.440 1.00 0.00 H new ATOM 0 HA LEU A 11 8.370 4.558 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.472 3.038 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.475 2.438 4.427 1.00 0.00 H new ATOM 0 HG LEU A 11 5.419 2.454 5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.202 4.452 6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.899 3.935 6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.318 5.339 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.637 4.126 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.744 4.985 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.195 3.339 3.531 1.00 0.00 H new ATOM 200 N VAL A 12 9.463 3.735 2.596 1.00 0.00 N ATOM 201 CA VAL A 12 10.249 3.743 1.328 1.00 0.00 C ATOM 202 C VAL A 12 9.778 2.612 0.411 1.00 0.00 C ATOM 203 O VAL A 12 9.764 1.458 0.788 1.00 0.00 O ATOM 204 CB VAL A 12 11.735 3.575 1.649 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.916 2.442 2.660 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.502 3.244 0.366 1.00 0.00 C ATOM 0 H VAL A 12 9.755 3.047 3.290 1.00 0.00 H new ATOM 0 HA VAL A 12 10.097 4.693 0.816 1.00 0.00 H new ATOM 0 HB VAL A 12 12.121 4.502 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.975 2.323 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.373 2.680 3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.529 1.514 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.561 3.124 0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.116 2.318 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.376 4.054 -0.353 1.00 0.00 H new ATOM 216 N LYS A 13 9.393 2.944 -0.794 1.00 0.00 N ATOM 217 CA LYS A 13 8.919 1.901 -1.749 1.00 0.00 C ATOM 218 C LYS A 13 10.005 1.633 -2.792 1.00 0.00 C ATOM 219 O LYS A 13 10.923 2.411 -2.961 1.00 0.00 O ATOM 220 CB LYS A 13 7.656 2.393 -2.461 1.00 0.00 C ATOM 221 CG LYS A 13 6.485 2.426 -1.477 1.00 0.00 C ATOM 222 CD LYS A 13 5.200 2.011 -2.198 1.00 0.00 C ATOM 223 CE LYS A 13 4.969 0.510 -2.009 1.00 0.00 C ATOM 224 NZ LYS A 13 6.058 -0.248 -2.688 1.00 0.00 N ATOM 0 H LYS A 13 9.387 3.897 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 13 8.699 0.985 -1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.824 3.388 -2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.421 1.736 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.679 1.753 -0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.374 3.427 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.352 2.572 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.274 2.247 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.948 0.265 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.001 0.225 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.921 -1.267 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.036 -0.048 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.978 0.042 -2.298 1.00 0.00 H new ATOM 238 N LYS A 14 9.904 0.540 -3.498 1.00 0.00 N ATOM 239 CA LYS A 14 10.927 0.227 -4.534 1.00 0.00 C ATOM 240 C LYS A 14 10.808 1.233 -5.681 1.00 0.00 C ATOM 241 O LYS A 14 9.875 1.193 -6.459 1.00 0.00 O ATOM 242 CB LYS A 14 10.695 -1.188 -5.069 1.00 0.00 C ATOM 243 CG LYS A 14 12.015 -1.962 -5.050 1.00 0.00 C ATOM 244 CD LYS A 14 12.599 -2.012 -6.463 1.00 0.00 C ATOM 245 CE LYS A 14 12.142 -3.298 -7.156 1.00 0.00 C ATOM 246 NZ LYS A 14 11.004 -2.992 -8.068 1.00 0.00 N ATOM 0 H LYS A 14 9.158 -0.149 -3.402 1.00 0.00 H new ATOM 0 HA LYS A 14 11.923 0.289 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.951 -1.701 -4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.301 -1.145 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.720 -1.483 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.850 -2.973 -4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.273 -1.143 -7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.688 -1.976 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.967 -3.733 -7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.839 -4.036 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.106 -3.123 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.076 -2.007 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.034 -3.632 -8.887 1.00 0.00 H new ATOM 260 N GLY A 15 11.744 2.137 -5.789 1.00 0.00 N ATOM 261 CA GLY A 15 11.691 3.151 -6.881 1.00 0.00 C ATOM 262 C GLY A 15 11.245 2.487 -8.184 1.00 0.00 C ATOM 263 O GLY A 15 11.645 1.383 -8.499 1.00 0.00 O ATOM 0 H GLY A 15 12.547 2.217 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.999 3.950 -6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.671 3.609 -7.013 1.00 0.00 H new ATOM 267 N SER A 16 10.419 3.150 -8.946 1.00 0.00 N ATOM 268 CA SER A 16 9.947 2.557 -10.228 1.00 0.00 C ATOM 269 C SER A 16 10.959 2.864 -11.334 1.00 0.00 C ATOM 270 O SER A 16 10.664 3.564 -12.282 1.00 0.00 O ATOM 271 CB SER A 16 8.590 3.159 -10.597 1.00 0.00 C ATOM 272 OG SER A 16 8.629 4.565 -10.390 1.00 0.00 O ATOM 0 H SER A 16 10.051 4.078 -8.736 1.00 0.00 H new ATOM 0 HA SER A 16 9.848 1.477 -10.116 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.353 2.939 -11.638 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.803 2.712 -9.989 1.00 0.00 H new ATOM 0 HG SER A 16 9.348 4.955 -10.929 1.00 0.00 H new ATOM 278 N VAL A 17 12.151 2.345 -11.219 1.00 0.00 N ATOM 279 CA VAL A 17 13.182 2.605 -12.263 1.00 0.00 C ATOM 280 C VAL A 17 14.011 1.339 -12.487 1.00 0.00 C ATOM 281 O VAL A 17 13.706 0.529 -13.340 1.00 0.00 O ATOM 282 CB VAL A 17 14.103 3.743 -11.809 1.00 0.00 C ATOM 283 CG1 VAL A 17 13.537 5.079 -12.290 1.00 0.00 C ATOM 284 CG2 VAL A 17 14.195 3.754 -10.280 1.00 0.00 C ATOM 0 H VAL A 17 12.455 1.752 -10.447 1.00 0.00 H new ATOM 0 HA VAL A 17 12.689 2.889 -13.193 1.00 0.00 H new ATOM 0 HB VAL A 17 15.096 3.592 -12.231 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.192 5.889 -11.967 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.472 5.076 -13.378 1.00 0.00 H new ATOM 0 HG13 VAL A 17 12.543 5.226 -11.868 1.00 0.00 H new ATOM 0 HG21 VAL A 17 14.851 4.564 -9.961 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.202 3.903 -9.857 1.00 0.00 H new ATOM 0 HG23 VAL A 17 14.598 2.803 -9.933 1.00 0.00 H new ATOM 294 N PHE A 18 15.058 1.163 -11.728 1.00 0.00 N ATOM 295 CA PHE A 18 15.906 -0.050 -11.895 1.00 0.00 C ATOM 296 C PHE A 18 16.149 -0.688 -10.526 1.00 0.00 C ATOM 297 O PHE A 18 17.254 -0.695 -10.022 1.00 0.00 O ATOM 298 CB PHE A 18 17.245 0.347 -12.519 1.00 0.00 C ATOM 299 CG PHE A 18 17.107 0.388 -14.022 1.00 0.00 C ATOM 300 CD1 PHE A 18 16.241 1.312 -14.620 1.00 0.00 C ATOM 301 CD2 PHE A 18 17.844 -0.499 -14.817 1.00 0.00 C ATOM 302 CE1 PHE A 18 16.112 1.350 -16.014 1.00 0.00 C ATOM 303 CE2 PHE A 18 17.716 -0.461 -16.212 1.00 0.00 C ATOM 304 CZ PHE A 18 16.849 0.464 -16.810 1.00 0.00 C ATOM 0 H PHE A 18 15.363 1.808 -10.999 1.00 0.00 H new ATOM 0 HA PHE A 18 15.401 -0.764 -12.546 1.00 0.00 H new ATOM 0 HB2 PHE A 18 17.558 1.322 -12.145 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.018 -0.367 -12.233 1.00 0.00 H new ATOM 0 HD1 PHE A 18 15.673 1.995 -14.006 1.00 0.00 H new ATOM 0 HD2 PHE A 18 18.511 -1.212 -14.355 1.00 0.00 H new ATOM 0 HE1 PHE A 18 15.444 2.063 -16.475 1.00 0.00 H new ATOM 0 HE2 PHE A 18 18.285 -1.144 -16.826 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.749 0.494 -17.885 1.00 0.00 H new ATOM 314 N ASN A 19 15.123 -1.218 -9.918 1.00 0.00 N ATOM 315 CA ASN A 19 15.297 -1.851 -8.581 1.00 0.00 C ATOM 316 C ASN A 19 15.946 -0.845 -7.629 1.00 0.00 C ATOM 317 O ASN A 19 17.127 -0.913 -7.350 1.00 0.00 O ATOM 318 CB ASN A 19 16.195 -3.084 -8.711 1.00 0.00 C ATOM 319 CG ASN A 19 15.756 -3.913 -9.919 1.00 0.00 C ATOM 320 OD1 ASN A 19 15.616 -3.394 -11.009 1.00 0.00 O ATOM 321 ND2 ASN A 19 15.530 -5.189 -9.771 1.00 0.00 N ATOM 0 H ASN A 19 14.173 -1.240 -10.289 1.00 0.00 H new ATOM 0 HA ASN A 19 14.325 -2.152 -8.190 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.235 -2.779 -8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 19 16.137 -3.686 -7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.236 -5.751 -10.570 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.647 -5.625 -8.856 1.00 0.00 H new ATOM 328 N THR A 20 15.187 0.092 -7.130 1.00 0.00 N ATOM 329 CA THR A 20 15.767 1.102 -6.202 1.00 0.00 C ATOM 330 C THR A 20 14.910 1.188 -4.936 1.00 0.00 C ATOM 331 O THR A 20 13.852 0.597 -4.850 1.00 0.00 O ATOM 332 CB THR A 20 15.796 2.467 -6.892 1.00 0.00 C ATOM 333 OG1 THR A 20 14.619 2.627 -7.671 1.00 0.00 O ATOM 334 CG2 THR A 20 17.025 2.557 -7.797 1.00 0.00 C ATOM 0 H THR A 20 14.192 0.201 -7.325 1.00 0.00 H new ATOM 0 HA THR A 20 16.781 0.807 -5.932 1.00 0.00 H new ATOM 0 HB THR A 20 15.844 3.254 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.931 2.005 -7.356 1.00 0.00 H new ATOM 0 HG21 THR A 20 17.045 3.530 -8.288 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.928 2.434 -7.198 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.980 1.771 -8.551 1.00 0.00 H new ATOM 342 N TRP A 21 15.362 1.919 -3.953 1.00 0.00 N ATOM 343 CA TRP A 21 14.578 2.045 -2.692 1.00 0.00 C ATOM 344 C TRP A 21 14.674 3.484 -2.176 1.00 0.00 C ATOM 345 O TRP A 21 15.749 3.989 -1.923 1.00 0.00 O ATOM 346 CB TRP A 21 15.150 1.089 -1.643 1.00 0.00 C ATOM 347 CG TRP A 21 14.360 -0.181 -1.639 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.249 -1.028 -2.686 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.573 -0.759 -0.557 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.444 -2.091 -2.318 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.003 -1.971 -1.015 1.00 0.00 C ATOM 352 CE3 TRP A 21 13.301 -0.354 0.764 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.191 -2.753 -0.192 1.00 0.00 C ATOM 354 CZ3 TRP A 21 12.485 -1.139 1.596 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.931 -2.337 1.119 1.00 0.00 C ATOM 0 H TRP A 21 16.242 2.435 -3.969 1.00 0.00 H new ATOM 0 HA TRP A 21 13.534 1.795 -2.883 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.197 0.877 -1.861 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.117 1.553 -0.657 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.713 -0.896 -3.652 1.00 0.00 H new ATOM 0 HE1 TRP A 21 13.205 -2.868 -2.934 1.00 0.00 H new ATOM 0 HE3 TRP A 21 13.723 0.566 1.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.766 -3.673 -0.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 12.283 -0.819 2.608 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.305 -2.937 1.763 1.00 0.00 H new ATOM 366 N LYS A 22 13.561 4.148 -2.016 1.00 0.00 N ATOM 367 CA LYS A 22 13.602 5.552 -1.517 1.00 0.00 C ATOM 368 C LYS A 22 12.330 5.854 -0.708 1.00 0.00 C ATOM 369 O LYS A 22 11.242 5.501 -1.122 1.00 0.00 O ATOM 370 CB LYS A 22 13.684 6.512 -2.708 1.00 0.00 C ATOM 371 CG LYS A 22 14.699 5.981 -3.723 1.00 0.00 C ATOM 372 CD LYS A 22 14.867 6.995 -4.857 1.00 0.00 C ATOM 373 CE LYS A 22 16.345 7.366 -4.995 1.00 0.00 C ATOM 374 NZ LYS A 22 16.566 8.047 -6.302 1.00 0.00 N ATOM 0 H LYS A 22 12.629 3.781 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 22 14.476 5.682 -0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.705 6.613 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.979 7.505 -2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.657 5.803 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.362 5.025 -4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.498 6.575 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.275 7.887 -4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.645 8.020 -4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.963 6.471 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.570 8.299 -6.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.295 7.408 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.987 8.910 -6.346 1.00 0.00 H new ATOM 388 N PRO A 23 12.502 6.505 0.421 1.00 0.00 N ATOM 389 CA PRO A 23 11.381 6.863 1.281 1.00 0.00 C ATOM 390 C PRO A 23 10.322 7.620 0.473 1.00 0.00 C ATOM 391 O PRO A 23 10.588 8.113 -0.606 1.00 0.00 O ATOM 392 CB PRO A 23 11.987 7.772 2.345 1.00 0.00 C ATOM 393 CG PRO A 23 13.491 7.362 2.366 1.00 0.00 C ATOM 394 CD PRO A 23 13.825 6.919 0.913 1.00 0.00 C ATOM 0 HA PRO A 23 10.890 5.991 1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.862 8.825 2.091 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.517 7.620 3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.120 8.196 2.676 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.666 6.551 3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.246 7.733 0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.546 6.102 0.889 1.00 0.00 H new ATOM 402 N MET A 24 9.126 7.725 0.984 1.00 0.00 N ATOM 403 CA MET A 24 8.064 8.455 0.243 1.00 0.00 C ATOM 404 C MET A 24 6.785 8.494 1.074 1.00 0.00 C ATOM 405 O MET A 24 6.619 7.748 2.022 1.00 0.00 O ATOM 406 CB MET A 24 7.777 7.750 -1.082 1.00 0.00 C ATOM 407 CG MET A 24 7.146 6.385 -0.819 1.00 0.00 C ATOM 408 SD MET A 24 7.150 5.416 -2.347 1.00 0.00 S ATOM 409 CE MET A 24 5.706 6.189 -3.115 1.00 0.00 C ATOM 0 H MET A 24 8.840 7.336 1.883 1.00 0.00 H new ATOM 0 HA MET A 24 8.406 9.472 0.050 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.108 8.359 -1.690 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.701 7.630 -1.648 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.700 5.860 -0.041 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.126 6.508 -0.456 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.545 5.758 -4.103 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.827 6.014 -2.495 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.875 7.262 -3.210 1.00 0.00 H new ATOM 419 N TRP A 25 5.874 9.354 0.717 1.00 0.00 N ATOM 420 CA TRP A 25 4.598 9.442 1.469 1.00 0.00 C ATOM 421 C TRP A 25 3.589 8.510 0.825 1.00 0.00 C ATOM 422 O TRP A 25 3.566 8.338 -0.377 1.00 0.00 O ATOM 423 CB TRP A 25 4.076 10.875 1.419 1.00 0.00 C ATOM 424 CG TRP A 25 2.835 10.990 2.246 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.573 11.014 1.758 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.718 11.100 3.692 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.689 11.141 2.815 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.346 11.196 4.028 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.661 11.126 4.735 1.00 0.00 C ATOM 430 CZ2 TRP A 25 0.927 11.319 5.354 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.244 11.245 6.071 1.00 0.00 C ATOM 432 CH2 TRP A 25 1.879 11.343 6.380 1.00 0.00 C ATOM 0 H TRP A 25 5.961 10.001 -0.067 1.00 0.00 H new ATOM 0 HA TRP A 25 4.757 9.156 2.509 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.836 11.562 1.790 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.865 11.159 0.388 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.301 10.945 0.715 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.325 11.188 2.711 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.714 11.054 4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -0.125 11.395 5.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.977 11.261 6.864 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.563 11.437 7.408 1.00 0.00 H new ATOM 443 N VAL A 26 2.767 7.891 1.611 1.00 0.00 N ATOM 444 CA VAL A 26 1.780 6.956 1.027 1.00 0.00 C ATOM 445 C VAL A 26 0.524 6.904 1.898 1.00 0.00 C ATOM 446 O VAL A 26 0.592 6.772 3.104 1.00 0.00 O ATOM 447 CB VAL A 26 2.432 5.576 0.932 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.273 5.327 2.176 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.359 4.487 0.813 1.00 0.00 C ATOM 0 H VAL A 26 2.735 7.990 2.626 1.00 0.00 H new ATOM 0 HA VAL A 26 1.480 7.291 0.034 1.00 0.00 H new ATOM 0 HB VAL A 26 3.066 5.544 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.738 4.344 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.047 6.091 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.636 5.368 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.838 3.510 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.713 4.515 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.762 4.660 -0.082 1.00 0.00 H new ATOM 459 N VAL A 27 -0.624 7.004 1.287 1.00 0.00 N ATOM 460 CA VAL A 27 -1.892 6.958 2.063 1.00 0.00 C ATOM 461 C VAL A 27 -2.751 5.804 1.554 1.00 0.00 C ATOM 462 O VAL A 27 -3.409 5.914 0.538 1.00 0.00 O ATOM 463 CB VAL A 27 -2.657 8.269 1.876 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.985 9.379 2.682 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.658 8.648 0.395 1.00 0.00 C ATOM 0 H VAL A 27 -0.737 7.116 0.280 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.664 6.815 3.119 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.682 8.141 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.534 10.311 2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.982 9.111 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.959 9.508 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.203 9.582 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.631 8.773 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.141 7.859 -0.182 1.00 0.00 H new ATOM 475 N LEU A 28 -2.764 4.699 2.241 1.00 0.00 N ATOM 476 CA LEU A 28 -3.601 3.570 1.765 1.00 0.00 C ATOM 477 C LEU A 28 -5.064 3.888 2.060 1.00 0.00 C ATOM 478 O LEU A 28 -5.414 4.311 3.144 1.00 0.00 O ATOM 479 CB LEU A 28 -3.182 2.269 2.455 1.00 0.00 C ATOM 480 CG LEU A 28 -3.719 2.216 3.885 1.00 0.00 C ATOM 481 CD1 LEU A 28 -5.180 1.762 3.871 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.886 1.213 4.687 1.00 0.00 C ATOM 0 H LEU A 28 -2.239 4.531 3.099 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.466 3.437 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.556 1.415 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.095 2.192 2.467 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.655 3.205 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.559 1.725 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.774 2.466 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.249 0.771 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.259 1.166 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.961 0.228 4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.843 1.531 4.696 1.00 0.00 H new ATOM 494 N LEU A 29 -5.916 3.706 1.092 1.00 0.00 N ATOM 495 CA LEU A 29 -7.355 4.013 1.295 1.00 0.00 C ATOM 496 C LEU A 29 -8.181 2.735 1.129 1.00 0.00 C ATOM 497 O LEU A 29 -7.691 1.720 0.675 1.00 0.00 O ATOM 498 CB LEU A 29 -7.800 5.057 0.266 1.00 0.00 C ATOM 499 CG LEU A 29 -6.779 6.199 0.213 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.690 5.869 -0.808 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.485 7.491 -0.203 1.00 0.00 C ATOM 0 H LEU A 29 -5.675 3.356 0.165 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.507 4.408 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.895 4.595 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.783 5.447 0.531 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.328 6.326 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.966 6.683 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.186 4.947 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.141 5.741 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.761 8.305 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.935 7.359 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.262 7.731 0.523 1.00 0.00 H new ATOM 513 N GLU A 30 -9.431 2.781 1.498 1.00 0.00 N ATOM 514 CA GLU A 30 -10.298 1.574 1.378 1.00 0.00 C ATOM 515 C GLU A 30 -10.668 1.339 -0.085 1.00 0.00 C ATOM 516 O GLU A 30 -11.363 0.399 -0.414 1.00 0.00 O ATOM 517 CB GLU A 30 -11.572 1.780 2.198 1.00 0.00 C ATOM 518 CG GLU A 30 -12.417 2.882 1.557 1.00 0.00 C ATOM 519 CD GLU A 30 -13.704 3.070 2.362 1.00 0.00 C ATOM 520 OE1 GLU A 30 -13.612 3.157 3.575 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.759 3.121 1.752 1.00 0.00 O ATOM 0 H GLU A 30 -9.892 3.607 1.880 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.756 0.706 1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.141 0.852 2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.318 2.051 3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.855 3.815 1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.655 2.620 0.526 1.00 0.00 H new ATOM 528 N ASP A 31 -10.206 2.176 -0.968 1.00 0.00 N ATOM 529 CA ASP A 31 -10.530 1.985 -2.408 1.00 0.00 C ATOM 530 C ASP A 31 -9.230 1.837 -3.202 1.00 0.00 C ATOM 531 O ASP A 31 -9.244 1.601 -4.394 1.00 0.00 O ATOM 532 CB ASP A 31 -11.312 3.195 -2.923 1.00 0.00 C ATOM 533 CG ASP A 31 -12.808 2.968 -2.701 1.00 0.00 C ATOM 534 OD1 ASP A 31 -13.391 2.210 -3.458 1.00 0.00 O ATOM 535 OD2 ASP A 31 -13.345 3.556 -1.777 1.00 0.00 O ATOM 0 H ASP A 31 -9.619 2.983 -0.756 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.137 1.088 -2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.989 4.098 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.110 3.348 -3.983 1.00 0.00 H new ATOM 540 N GLY A 32 -8.106 1.969 -2.551 1.00 0.00 N ATOM 541 CA GLY A 32 -6.808 1.829 -3.279 1.00 0.00 C ATOM 542 C GLY A 32 -5.717 2.610 -2.547 1.00 0.00 C ATOM 543 O GLY A 32 -5.995 3.514 -1.787 1.00 0.00 O ATOM 0 H GLY A 32 -8.028 2.166 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.531 0.777 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.911 2.199 -4.299 1.00 0.00 H new ATOM 547 N ILE A 33 -4.477 2.269 -2.770 1.00 0.00 N ATOM 548 CA ILE A 33 -3.365 2.988 -2.082 1.00 0.00 C ATOM 549 C ILE A 33 -2.824 4.100 -2.983 1.00 0.00 C ATOM 550 O ILE A 33 -2.216 3.847 -4.003 1.00 0.00 O ATOM 551 CB ILE A 33 -2.226 2.011 -1.768 1.00 0.00 C ATOM 552 CG1 ILE A 33 -2.787 0.604 -1.539 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.493 2.472 -0.507 1.00 0.00 C ATOM 554 CD1 ILE A 33 -3.654 0.595 -0.281 1.00 0.00 C ATOM 0 H ILE A 33 -4.185 1.522 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.750 3.417 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.535 1.989 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.377 0.292 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.971 -0.111 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.683 1.778 -0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.083 3.469 -0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.190 2.498 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.052 -0.407 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.051 0.888 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.479 1.298 -0.402 1.00 0.00 H new ATOM 566 N GLU A 34 -3.021 5.329 -2.603 1.00 0.00 N ATOM 567 CA GLU A 34 -2.498 6.455 -3.422 1.00 0.00 C ATOM 568 C GLU A 34 -1.317 7.073 -2.684 1.00 0.00 C ATOM 569 O GLU A 34 -1.483 7.782 -1.711 1.00 0.00 O ATOM 570 CB GLU A 34 -3.588 7.508 -3.614 1.00 0.00 C ATOM 571 CG GLU A 34 -4.915 6.810 -3.904 1.00 0.00 C ATOM 572 CD GLU A 34 -6.071 7.777 -3.639 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.797 8.936 -3.369 1.00 0.00 O ATOM 574 OE2 GLU A 34 -7.208 7.344 -3.709 1.00 0.00 O ATOM 0 H GLU A 34 -3.523 5.603 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.186 6.091 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.676 8.125 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.326 8.174 -4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.941 6.471 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.017 5.925 -3.276 1.00 0.00 H new ATOM 581 N PHE A 35 -0.123 6.794 -3.115 1.00 0.00 N ATOM 582 CA PHE A 35 1.059 7.354 -2.405 1.00 0.00 C ATOM 583 C PHE A 35 1.832 8.313 -3.311 1.00 0.00 C ATOM 584 O PHE A 35 1.883 8.151 -4.514 1.00 0.00 O ATOM 585 CB PHE A 35 1.970 6.207 -1.961 1.00 0.00 C ATOM 586 CG PHE A 35 2.262 5.298 -3.128 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.143 5.715 -4.131 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.657 4.037 -3.205 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.423 4.873 -5.214 1.00 0.00 C ATOM 590 CE2 PHE A 35 1.934 3.194 -4.289 1.00 0.00 C ATOM 591 CZ PHE A 35 2.818 3.612 -5.293 1.00 0.00 C ATOM 0 H PHE A 35 0.087 6.207 -3.922 1.00 0.00 H new ATOM 0 HA PHE A 35 0.716 7.911 -1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.901 6.606 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.493 5.642 -1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.608 6.688 -4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.978 3.715 -2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.104 5.195 -5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.467 2.222 -4.351 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.033 2.962 -6.128 1.00 0.00 H new ATOM 601 N TYR A 36 2.446 9.308 -2.727 1.00 0.00 N ATOM 602 CA TYR A 36 3.237 10.286 -3.524 1.00 0.00 C ATOM 603 C TYR A 36 4.611 10.437 -2.873 1.00 0.00 C ATOM 604 O TYR A 36 5.083 9.555 -2.184 1.00 0.00 O ATOM 605 CB TYR A 36 2.553 11.664 -3.531 1.00 0.00 C ATOM 606 CG TYR A 36 1.059 11.536 -3.322 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.550 11.050 -2.110 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.180 11.924 -4.343 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.834 10.945 -1.924 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.204 11.821 -4.155 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.711 11.331 -2.947 1.00 0.00 C ATOM 612 OH TYR A 36 -3.075 11.229 -2.761 1.00 0.00 O ATOM 0 H TYR A 36 2.432 9.485 -1.723 1.00 0.00 H new ATOM 0 HA TYR A 36 3.319 9.924 -4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.980 12.289 -2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.748 12.165 -4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.225 10.757 -1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.571 12.303 -5.276 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.226 10.566 -0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.880 12.120 -4.943 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.539 11.539 -3.567 1.00 0.00 H new ATOM 622 N LYS A 37 5.243 11.560 -3.063 1.00 0.00 N ATOM 623 CA LYS A 37 6.572 11.780 -2.429 1.00 0.00 C ATOM 624 C LYS A 37 6.350 12.483 -1.089 1.00 0.00 C ATOM 625 O LYS A 37 6.937 12.135 -0.084 1.00 0.00 O ATOM 626 CB LYS A 37 7.437 12.656 -3.336 1.00 0.00 C ATOM 627 CG LYS A 37 8.854 12.080 -3.405 1.00 0.00 C ATOM 628 CD LYS A 37 9.073 11.417 -4.767 1.00 0.00 C ATOM 629 CE LYS A 37 10.413 11.873 -5.348 1.00 0.00 C ATOM 630 NZ LYS A 37 10.712 11.091 -6.581 1.00 0.00 N ATOM 0 H LYS A 37 4.898 12.335 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 37 7.080 10.828 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.003 12.703 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.466 13.676 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.587 12.872 -3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.001 11.352 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.061 10.332 -4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.262 11.680 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.378 12.938 -5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.206 11.732 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.623 11.401 -6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.762 10.079 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.960 11.247 -7.282 1.00 0.00 H new ATOM 644 N LYS A 38 5.484 13.462 -1.070 1.00 0.00 N ATOM 645 CA LYS A 38 5.191 14.184 0.200 1.00 0.00 C ATOM 646 C LYS A 38 3.768 13.833 0.639 1.00 0.00 C ATOM 647 O LYS A 38 3.105 13.029 0.015 1.00 0.00 O ATOM 648 CB LYS A 38 5.306 15.694 -0.028 1.00 0.00 C ATOM 649 CG LYS A 38 6.730 16.149 0.298 1.00 0.00 C ATOM 650 CD LYS A 38 6.826 17.670 0.169 1.00 0.00 C ATOM 651 CE LYS A 38 8.216 18.051 -0.344 1.00 0.00 C ATOM 652 NZ LYS A 38 8.750 19.186 0.460 1.00 0.00 N ATOM 0 H LYS A 38 4.966 13.793 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 38 5.902 13.890 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.063 15.937 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.590 16.224 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.998 15.842 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.439 15.671 -0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.061 18.037 -0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.642 18.140 1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.888 17.195 -0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.163 18.330 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.695 19.445 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.113 20.003 0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.815 18.903 1.459 1.00 0.00 H new ATOM 666 N LYS A 39 3.288 14.420 1.702 1.00 0.00 N ATOM 667 CA LYS A 39 1.905 14.097 2.163 1.00 0.00 C ATOM 668 C LYS A 39 0.961 14.044 0.955 1.00 0.00 C ATOM 669 O LYS A 39 -0.050 13.371 0.980 1.00 0.00 O ATOM 670 CB LYS A 39 1.435 15.155 3.177 1.00 0.00 C ATOM 671 CG LYS A 39 -0.094 15.314 3.119 1.00 0.00 C ATOM 672 CD LYS A 39 -0.620 15.735 4.490 1.00 0.00 C ATOM 673 CE LYS A 39 -0.041 14.806 5.551 1.00 0.00 C ATOM 674 NZ LYS A 39 -1.108 14.418 6.517 1.00 0.00 N ATOM 0 H LYS A 39 3.789 15.105 2.268 1.00 0.00 H new ATOM 0 HA LYS A 39 1.899 13.123 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.738 14.864 4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.914 16.110 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.364 16.059 2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.556 14.375 2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.340 16.767 4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.709 15.691 4.505 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.377 13.916 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.775 15.302 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.709 13.784 7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.487 15.271 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.873 13.928 6.011 1.00 0.00 H new ATOM 688 N SER A 40 1.279 14.741 -0.100 1.00 0.00 N ATOM 689 CA SER A 40 0.392 14.716 -1.297 1.00 0.00 C ATOM 690 C SER A 40 1.224 14.915 -2.564 1.00 0.00 C ATOM 691 O SER A 40 1.061 14.210 -3.540 1.00 0.00 O ATOM 692 CB SER A 40 -0.642 15.836 -1.187 1.00 0.00 C ATOM 693 OG SER A 40 -0.966 16.044 0.181 1.00 0.00 O ATOM 0 H SER A 40 2.111 15.325 -0.186 1.00 0.00 H new ATOM 0 HA SER A 40 -0.115 13.752 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.248 16.754 -1.623 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.539 15.575 -1.749 1.00 0.00 H new ATOM 0 HG SER A 40 -1.628 16.763 0.255 1.00 0.00 H new ATOM 699 N ASP A 41 2.113 15.874 -2.559 1.00 0.00 N ATOM 700 CA ASP A 41 2.954 16.124 -3.762 1.00 0.00 C ATOM 701 C ASP A 41 2.060 16.519 -4.942 1.00 0.00 C ATOM 702 O ASP A 41 2.497 16.599 -6.072 1.00 0.00 O ATOM 703 CB ASP A 41 3.738 14.850 -4.087 1.00 0.00 C ATOM 704 CG ASP A 41 4.305 14.926 -5.506 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.380 15.478 -5.663 1.00 0.00 O ATOM 706 OD2 ASP A 41 3.652 14.434 -6.410 1.00 0.00 O ATOM 0 H ASP A 41 2.292 16.495 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 41 3.652 16.939 -3.570 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.549 14.720 -3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.088 13.980 -3.993 1.00 0.00 H new ATOM 711 N ASN A 42 0.805 16.771 -4.686 1.00 0.00 N ATOM 712 CA ASN A 42 -0.117 17.157 -5.787 1.00 0.00 C ATOM 713 C ASN A 42 0.131 16.267 -7.008 1.00 0.00 C ATOM 714 O ASN A 42 -0.183 16.633 -8.123 1.00 0.00 O ATOM 715 CB ASN A 42 0.124 18.620 -6.169 1.00 0.00 C ATOM 716 CG ASN A 42 -1.219 19.322 -6.372 1.00 0.00 C ATOM 717 OD1 ASN A 42 -1.668 20.059 -5.516 1.00 0.00 O ATOM 718 ND2 ASN A 42 -1.886 19.123 -7.475 1.00 0.00 N ATOM 0 H ASN A 42 0.380 16.726 -3.760 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.146 17.031 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.694 19.122 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.717 18.676 -7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.784 19.586 -7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.510 18.505 -8.194 1.00 0.00 H new ATOM 725 N SER A 43 0.693 15.099 -6.816 1.00 0.00 N ATOM 726 CA SER A 43 0.948 14.210 -7.984 1.00 0.00 C ATOM 727 C SER A 43 1.343 12.807 -7.508 1.00 0.00 C ATOM 728 O SER A 43 2.488 12.570 -7.178 1.00 0.00 O ATOM 729 CB SER A 43 2.080 14.796 -8.827 1.00 0.00 C ATOM 730 OG SER A 43 1.911 14.400 -10.182 1.00 0.00 O ATOM 0 H SER A 43 0.982 14.729 -5.911 1.00 0.00 H new ATOM 0 HA SER A 43 0.039 14.138 -8.581 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.080 15.883 -8.751 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.044 14.451 -8.453 1.00 0.00 H new ATOM 0 HG SER A 43 2.635 14.776 -10.725 1.00 0.00 H new ATOM 736 N PRO A 44 0.383 11.914 -7.496 1.00 0.00 N ATOM 737 CA PRO A 44 0.615 10.539 -7.079 1.00 0.00 C ATOM 738 C PRO A 44 1.796 9.948 -7.836 1.00 0.00 C ATOM 739 O PRO A 44 1.877 10.015 -9.046 1.00 0.00 O ATOM 740 CB PRO A 44 -0.675 9.805 -7.433 1.00 0.00 C ATOM 741 CG PRO A 44 -1.748 10.938 -7.446 1.00 0.00 C ATOM 742 CD PRO A 44 -0.999 12.222 -7.898 1.00 0.00 C ATOM 0 HA PRO A 44 0.854 10.460 -6.018 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.602 9.310 -8.401 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.913 9.035 -6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.562 10.698 -8.130 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.190 11.070 -6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.086 12.391 -8.971 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.381 13.115 -7.403 1.00 0.00 H new ATOM 750 N LYS A 45 2.708 9.363 -7.121 1.00 0.00 N ATOM 751 CA LYS A 45 3.890 8.753 -7.773 1.00 0.00 C ATOM 752 C LYS A 45 3.554 7.295 -8.111 1.00 0.00 C ATOM 753 O LYS A 45 4.179 6.680 -8.952 1.00 0.00 O ATOM 754 CB LYS A 45 5.083 8.846 -6.805 1.00 0.00 C ATOM 755 CG LYS A 45 5.976 7.612 -6.926 1.00 0.00 C ATOM 756 CD LYS A 45 7.424 7.996 -6.618 1.00 0.00 C ATOM 757 CE LYS A 45 8.372 7.042 -7.347 1.00 0.00 C ATOM 758 NZ LYS A 45 9.656 6.942 -6.597 1.00 0.00 N ATOM 0 H LYS A 45 2.684 9.281 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 45 4.153 9.272 -8.695 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.663 9.743 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.720 8.939 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.640 6.838 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.905 7.196 -7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.613 9.023 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.602 7.952 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.914 6.057 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.558 7.401 -8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.299 6.293 -7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.095 7.883 -6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.472 6.580 -5.640 1.00 0.00 H new ATOM 772 N GLY A 46 2.558 6.744 -7.468 1.00 0.00 N ATOM 773 CA GLY A 46 2.174 5.333 -7.756 1.00 0.00 C ATOM 774 C GLY A 46 0.927 4.963 -6.948 1.00 0.00 C ATOM 775 O GLY A 46 0.844 5.214 -5.760 1.00 0.00 O ATOM 0 H GLY A 46 1.995 7.211 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.979 5.209 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.996 4.663 -7.502 1.00 0.00 H new ATOM 779 N MET A 47 -0.042 4.362 -7.585 1.00 0.00 N ATOM 780 CA MET A 47 -1.284 3.967 -6.865 1.00 0.00 C ATOM 781 C MET A 47 -1.484 2.457 -6.998 1.00 0.00 C ATOM 782 O MET A 47 -1.593 1.931 -8.088 1.00 0.00 O ATOM 783 CB MET A 47 -2.490 4.684 -7.478 1.00 0.00 C ATOM 784 CG MET A 47 -2.157 6.163 -7.692 1.00 0.00 C ATOM 785 SD MET A 47 -2.993 6.760 -9.182 1.00 0.00 S ATOM 786 CE MET A 47 -1.906 5.959 -10.387 1.00 0.00 C ATOM 0 H MET A 47 -0.025 4.127 -8.577 1.00 0.00 H new ATOM 0 HA MET A 47 -1.193 4.242 -5.814 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.757 4.220 -8.428 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.355 4.587 -6.822 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.472 6.747 -6.827 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.079 6.294 -7.790 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.639 6.672 -11.166 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.002 5.612 -9.887 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.422 5.110 -10.834 1.00 0.00 H new ATOM 796 N ILE A 48 -1.540 1.755 -5.902 1.00 0.00 N ATOM 797 CA ILE A 48 -1.742 0.281 -5.978 1.00 0.00 C ATOM 798 C ILE A 48 -3.246 -0.012 -5.966 1.00 0.00 C ATOM 799 O ILE A 48 -3.987 0.617 -5.238 1.00 0.00 O ATOM 800 CB ILE A 48 -1.078 -0.389 -4.772 1.00 0.00 C ATOM 801 CG1 ILE A 48 0.439 -0.209 -4.858 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.413 -1.882 -4.765 1.00 0.00 C ATOM 803 CD1 ILE A 48 1.035 -0.203 -3.448 1.00 0.00 C ATOM 0 H ILE A 48 -1.455 2.136 -4.960 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.296 -0.109 -6.893 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.448 0.070 -3.855 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.878 -1.015 -5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.676 0.724 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.939 -2.357 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.493 -2.012 -4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.045 -2.342 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.116 -0.075 -3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.605 0.618 -2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.810 -1.148 -2.954 1.00 0.00 H new ATOM 815 N PRO A 49 -3.658 -0.954 -6.774 1.00 0.00 N ATOM 816 CA PRO A 49 -5.063 -1.324 -6.860 1.00 0.00 C ATOM 817 C PRO A 49 -5.492 -2.049 -5.581 1.00 0.00 C ATOM 818 O PRO A 49 -4.827 -2.953 -5.116 1.00 0.00 O ATOM 819 CB PRO A 49 -5.140 -2.254 -8.065 1.00 0.00 C ATOM 820 CG PRO A 49 -3.696 -2.836 -8.169 1.00 0.00 C ATOM 821 CD PRO A 49 -2.754 -1.712 -7.652 1.00 0.00 C ATOM 0 HA PRO A 49 -5.722 -0.463 -6.968 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.880 -3.041 -7.918 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.422 -1.716 -8.970 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.594 -3.740 -7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.456 -3.107 -9.197 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.896 -2.112 -7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.362 -1.100 -8.464 1.00 0.00 H new ATOM 829 N LEU A 50 -6.596 -1.656 -5.006 1.00 0.00 N ATOM 830 CA LEU A 50 -7.061 -2.317 -3.755 1.00 0.00 C ATOM 831 C LEU A 50 -7.679 -3.678 -4.080 1.00 0.00 C ATOM 832 O LEU A 50 -8.115 -4.395 -3.201 1.00 0.00 O ATOM 833 CB LEU A 50 -8.106 -1.436 -3.072 1.00 0.00 C ATOM 834 CG LEU A 50 -7.848 -1.423 -1.566 1.00 0.00 C ATOM 835 CD1 LEU A 50 -6.606 -0.585 -1.268 1.00 0.00 C ATOM 836 CD2 LEU A 50 -9.054 -0.820 -0.846 1.00 0.00 C ATOM 0 H LEU A 50 -7.196 -0.906 -5.349 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.209 -2.460 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.060 -0.422 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.108 -1.814 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.690 -2.443 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.422 -0.576 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.745 -1.016 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.763 0.435 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.869 -0.811 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.214 0.200 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.940 -1.419 -1.057 1.00 0.00 H new ATOM 848 N LYS A 51 -7.725 -4.042 -5.331 1.00 0.00 N ATOM 849 CA LYS A 51 -8.319 -5.358 -5.697 1.00 0.00 C ATOM 850 C LYS A 51 -7.431 -6.050 -6.733 1.00 0.00 C ATOM 851 O LYS A 51 -7.073 -5.474 -7.741 1.00 0.00 O ATOM 852 CB LYS A 51 -9.714 -5.143 -6.285 1.00 0.00 C ATOM 853 CG LYS A 51 -9.590 -4.515 -7.673 1.00 0.00 C ATOM 854 CD LYS A 51 -10.888 -3.781 -8.017 1.00 0.00 C ATOM 855 CE LYS A 51 -10.721 -3.047 -9.348 1.00 0.00 C ATOM 856 NZ LYS A 51 -9.786 -1.901 -9.169 1.00 0.00 N ATOM 0 H LYS A 51 -7.378 -3.487 -6.114 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.392 -5.982 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.243 -6.094 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.300 -4.496 -5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.750 -3.821 -7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.387 -5.286 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.713 -4.490 -8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.138 -3.072 -7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.336 -3.729 -10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.688 -2.690 -9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.936 -1.208 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.963 -1.449 -8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.805 -2.245 -9.202 1.00 0.00 H new ATOM 870 N GLY A 52 -7.077 -7.282 -6.495 1.00 0.00 N ATOM 871 CA GLY A 52 -6.216 -8.010 -7.468 1.00 0.00 C ATOM 872 C GLY A 52 -4.766 -8.011 -6.978 1.00 0.00 C ATOM 873 O GLY A 52 -3.904 -8.634 -7.566 1.00 0.00 O ATOM 0 H GLY A 52 -7.347 -7.816 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.570 -9.034 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.278 -7.536 -8.448 1.00 0.00 H new ATOM 877 N SER A 53 -4.489 -7.318 -5.906 1.00 0.00 N ATOM 878 CA SER A 53 -3.095 -7.280 -5.383 1.00 0.00 C ATOM 879 C SER A 53 -2.943 -8.294 -4.252 1.00 0.00 C ATOM 880 O SER A 53 -3.897 -8.905 -3.815 1.00 0.00 O ATOM 881 CB SER A 53 -2.785 -5.880 -4.855 1.00 0.00 C ATOM 882 OG SER A 53 -3.478 -4.918 -5.639 1.00 0.00 O ATOM 0 H SER A 53 -5.168 -6.777 -5.371 1.00 0.00 H new ATOM 0 HA SER A 53 -2.402 -7.528 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.084 -5.798 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.712 -5.693 -4.895 1.00 0.00 H new ATOM 0 HG SER A 53 -4.256 -4.589 -5.141 1.00 0.00 H new ATOM 888 N THR A 54 -1.742 -8.481 -3.784 1.00 0.00 N ATOM 889 CA THR A 54 -1.515 -9.461 -2.691 1.00 0.00 C ATOM 890 C THR A 54 -0.650 -8.814 -1.603 1.00 0.00 C ATOM 891 O THR A 54 0.062 -7.863 -1.849 1.00 0.00 O ATOM 892 CB THR A 54 -0.822 -10.702 -3.280 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.360 -11.872 -2.683 1.00 0.00 O ATOM 894 CG2 THR A 54 0.689 -10.655 -3.038 1.00 0.00 C ATOM 0 H THR A 54 -0.907 -7.996 -4.113 1.00 0.00 H new ATOM 0 HA THR A 54 -2.461 -9.763 -2.242 1.00 0.00 H new ATOM 0 HB THR A 54 -0.998 -10.717 -4.356 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.920 -12.663 -3.059 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.154 -11.544 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.106 -9.766 -3.511 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.885 -10.622 -1.966 1.00 0.00 H new ATOM 902 N LEU A 55 -0.699 -9.328 -0.408 1.00 0.00 N ATOM 903 CA LEU A 55 0.130 -8.743 0.681 1.00 0.00 C ATOM 904 C LEU A 55 1.016 -9.840 1.279 1.00 0.00 C ATOM 905 O LEU A 55 0.544 -10.748 1.932 1.00 0.00 O ATOM 906 CB LEU A 55 -0.788 -8.162 1.764 1.00 0.00 C ATOM 907 CG LEU A 55 0.025 -7.765 3.005 1.00 0.00 C ATOM 908 CD1 LEU A 55 0.310 -9.004 3.854 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.351 -7.122 2.587 1.00 0.00 C ATOM 0 H LEU A 55 -1.275 -10.125 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 55 0.759 -7.947 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.314 -7.291 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.546 -8.896 2.038 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.553 -7.047 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.887 -8.718 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.632 -9.454 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.878 -9.725 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.917 -6.845 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.929 -7.832 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.152 -6.231 1.992 1.00 0.00 H new ATOM 921 N THR A 56 2.299 -9.759 1.056 1.00 0.00 N ATOM 922 CA THR A 56 3.224 -10.793 1.605 1.00 0.00 C ATOM 923 C THR A 56 3.943 -10.230 2.832 1.00 0.00 C ATOM 924 O THR A 56 4.773 -9.350 2.728 1.00 0.00 O ATOM 925 CB THR A 56 4.257 -11.173 0.538 1.00 0.00 C ATOM 926 OG1 THR A 56 3.588 -11.667 -0.613 1.00 0.00 O ATOM 927 CG2 THR A 56 5.189 -12.251 1.091 1.00 0.00 C ATOM 0 H THR A 56 2.749 -9.020 0.516 1.00 0.00 H new ATOM 0 HA THR A 56 2.654 -11.677 1.890 1.00 0.00 H new ATOM 0 HB THR A 56 4.842 -10.294 0.268 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.445 -10.934 -1.248 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.923 -12.521 0.332 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.703 -11.870 1.974 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.606 -13.132 1.362 1.00 0.00 H new ATOM 935 N SER A 57 3.629 -10.730 3.996 1.00 0.00 N ATOM 936 CA SER A 57 4.294 -10.220 5.228 1.00 0.00 C ATOM 937 C SER A 57 4.405 -11.348 6.260 1.00 0.00 C ATOM 938 O SER A 57 3.437 -12.029 6.538 1.00 0.00 O ATOM 939 CB SER A 57 3.467 -9.074 5.813 1.00 0.00 C ATOM 940 OG SER A 57 2.260 -9.596 6.355 1.00 0.00 O ATOM 0 H SER A 57 2.942 -11.468 4.147 1.00 0.00 H new ATOM 0 HA SER A 57 5.292 -9.861 4.978 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.035 -8.559 6.588 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.244 -8.339 5.040 1.00 0.00 H new ATOM 0 HG SER A 57 2.362 -10.557 6.515 1.00 0.00 H new ATOM 946 N PRO A 58 5.585 -11.502 6.804 1.00 0.00 N ATOM 947 CA PRO A 58 6.724 -10.669 6.448 1.00 0.00 C ATOM 948 C PRO A 58 7.300 -11.102 5.098 1.00 0.00 C ATOM 949 O PRO A 58 7.224 -12.255 4.719 1.00 0.00 O ATOM 950 CB PRO A 58 7.728 -10.909 7.549 1.00 0.00 C ATOM 951 CG PRO A 58 7.380 -12.345 8.061 1.00 0.00 C ATOM 952 CD PRO A 58 5.851 -12.524 7.823 1.00 0.00 C ATOM 0 HA PRO A 58 6.455 -9.617 6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.751 -10.853 7.177 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.637 -10.168 8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.950 -13.101 7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.626 -12.453 9.117 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.606 -13.526 7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.273 -12.356 8.732 1.00 0.00 H new ATOM 960 N CYS A 59 7.883 -10.189 4.370 1.00 0.00 N ATOM 961 CA CYS A 59 8.470 -10.550 3.049 1.00 0.00 C ATOM 962 C CYS A 59 9.930 -10.966 3.242 1.00 0.00 C ATOM 963 O CYS A 59 10.508 -10.759 4.290 1.00 0.00 O ATOM 964 CB CYS A 59 8.405 -9.342 2.113 1.00 0.00 C ATOM 965 SG CYS A 59 9.890 -8.330 2.332 1.00 0.00 S ATOM 0 H CYS A 59 7.978 -9.208 4.633 1.00 0.00 H new ATOM 0 HA CYS A 59 7.908 -11.376 2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.327 -9.674 1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.514 -8.751 2.326 1.00 0.00 H new ATOM 0 HG CYS A 59 9.843 -7.735 3.487 1.00 0.00 H new ATOM 971 N GLN A 60 10.533 -11.550 2.243 1.00 0.00 N ATOM 972 CA GLN A 60 11.956 -11.970 2.387 1.00 0.00 C ATOM 973 C GLN A 60 12.534 -12.333 1.019 1.00 0.00 C ATOM 974 O GLN A 60 12.208 -13.352 0.444 1.00 0.00 O ATOM 975 CB GLN A 60 12.040 -13.184 3.313 1.00 0.00 C ATOM 976 CG GLN A 60 13.499 -13.626 3.443 1.00 0.00 C ATOM 977 CD GLN A 60 13.704 -14.324 4.789 1.00 0.00 C ATOM 978 OE1 GLN A 60 12.896 -14.188 5.687 1.00 0.00 O ATOM 979 NE2 GLN A 60 14.759 -15.071 4.968 1.00 0.00 N ATOM 0 H GLN A 60 10.106 -11.754 1.339 1.00 0.00 H new ATOM 0 HA GLN A 60 12.529 -11.146 2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.635 -12.935 4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.436 -14.000 2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.759 -14.301 2.628 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.160 -12.763 3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.437 -15.185 4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.906 -15.541 5.861 1.00 0.00 H new ATOM 988 N ASP A 61 13.398 -11.504 0.503 1.00 0.00 N ATOM 989 CA ASP A 61 14.018 -11.785 -0.820 1.00 0.00 C ATOM 990 C ASP A 61 14.690 -10.510 -1.329 1.00 0.00 C ATOM 991 O ASP A 61 15.801 -10.534 -1.821 1.00 0.00 O ATOM 992 CB ASP A 61 12.943 -12.239 -1.815 1.00 0.00 C ATOM 993 CG ASP A 61 13.498 -12.170 -3.240 1.00 0.00 C ATOM 994 OD1 ASP A 61 14.709 -12.131 -3.381 1.00 0.00 O ATOM 995 OD2 ASP A 61 12.702 -12.158 -4.164 1.00 0.00 O ATOM 0 H ASP A 61 13.703 -10.637 0.946 1.00 0.00 H new ATOM 0 HA ASP A 61 14.758 -12.579 -0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.628 -13.257 -1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.061 -11.605 -1.727 1.00 0.00 H new ATOM 1000 N PHE A 62 14.031 -9.391 -1.196 1.00 0.00 N ATOM 1001 CA PHE A 62 14.643 -8.113 -1.652 1.00 0.00 C ATOM 1002 C PHE A 62 15.427 -7.523 -0.483 1.00 0.00 C ATOM 1003 O PHE A 62 16.638 -7.422 -0.517 1.00 0.00 O ATOM 1004 CB PHE A 62 13.548 -7.136 -2.082 1.00 0.00 C ATOM 1005 CG PHE A 62 14.181 -5.910 -2.697 1.00 0.00 C ATOM 1006 CD1 PHE A 62 14.938 -5.038 -1.903 1.00 0.00 C ATOM 1007 CD2 PHE A 62 14.012 -5.645 -4.063 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.526 -3.901 -2.474 1.00 0.00 C ATOM 1009 CE2 PHE A 62 14.600 -4.509 -4.634 1.00 0.00 C ATOM 1010 CZ PHE A 62 15.356 -3.637 -3.841 1.00 0.00 C ATOM 0 H PHE A 62 13.098 -9.308 -0.792 1.00 0.00 H new ATOM 0 HA PHE A 62 15.302 -8.292 -2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.881 -7.613 -2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.940 -6.853 -1.223 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.068 -5.242 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 62 13.428 -6.317 -4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.109 -3.229 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.470 -4.306 -5.687 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.808 -2.761 -4.282 1.00 0.00 H new ATOM 1020 N GLY A 63 14.743 -7.164 0.566 1.00 0.00 N ATOM 1021 CA GLY A 63 15.440 -6.613 1.757 1.00 0.00 C ATOM 1022 C GLY A 63 15.698 -7.764 2.728 1.00 0.00 C ATOM 1023 O GLY A 63 16.573 -7.696 3.567 1.00 0.00 O ATOM 0 H GLY A 63 13.728 -7.229 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.379 -6.143 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.832 -5.843 2.232 1.00 0.00 H new ATOM 1027 N LYS A 64 14.933 -8.825 2.597 1.00 0.00 N ATOM 1028 CA LYS A 64 15.094 -10.018 3.483 1.00 0.00 C ATOM 1029 C LYS A 64 15.574 -9.585 4.871 1.00 0.00 C ATOM 1030 O LYS A 64 16.460 -10.182 5.450 1.00 0.00 O ATOM 1031 CB LYS A 64 16.096 -10.994 2.843 1.00 0.00 C ATOM 1032 CG LYS A 64 17.532 -10.554 3.140 1.00 0.00 C ATOM 1033 CD LYS A 64 18.459 -11.060 2.033 1.00 0.00 C ATOM 1034 CE LYS A 64 19.085 -9.868 1.307 1.00 0.00 C ATOM 1035 NZ LYS A 64 20.070 -9.203 2.205 1.00 0.00 N ATOM 0 H LYS A 64 14.193 -8.912 1.901 1.00 0.00 H new ATOM 0 HA LYS A 64 14.133 -10.519 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.930 -12.000 3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.937 -11.035 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.585 -9.467 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.852 -10.947 4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.239 -11.691 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.899 -11.675 1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.577 -10.202 0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.310 -9.160 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 20.673 -8.565 1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.564 -8.655 2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.661 -9.924 2.666 1.00 0.00 H new ATOM 1049 N ARG A 65 14.992 -8.546 5.406 1.00 0.00 N ATOM 1050 CA ARG A 65 15.408 -8.066 6.752 1.00 0.00 C ATOM 1051 C ARG A 65 14.580 -6.837 7.133 1.00 0.00 C ATOM 1052 O ARG A 65 13.626 -6.490 6.466 1.00 0.00 O ATOM 1053 CB ARG A 65 16.890 -7.688 6.718 1.00 0.00 C ATOM 1054 CG ARG A 65 17.652 -8.513 7.757 1.00 0.00 C ATOM 1055 CD ARG A 65 19.120 -8.085 7.773 1.00 0.00 C ATOM 1056 NE ARG A 65 19.228 -6.707 8.332 1.00 0.00 N ATOM 1057 CZ ARG A 65 20.161 -5.901 7.904 1.00 0.00 C ATOM 1058 NH1 ARG A 65 21.381 -6.017 8.353 1.00 0.00 N ATOM 1059 NH2 ARG A 65 19.874 -4.980 7.025 1.00 0.00 N ATOM 0 H ARG A 65 14.245 -8.009 4.967 1.00 0.00 H new ATOM 0 HA ARG A 65 15.247 -8.855 7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.299 -7.868 5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.010 -6.624 6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.211 -8.372 8.744 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.574 -9.575 7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.706 -8.780 8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.529 -8.113 6.763 1.00 0.00 H new ATOM 0 HE ARG A 65 18.573 -6.394 9.049 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.606 -6.738 9.039 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.110 -5.387 8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.921 -4.890 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.603 -4.350 6.690 1.00 0.00 H new ATOM 1073 N MET A 66 14.939 -6.174 8.200 1.00 0.00 N ATOM 1074 CA MET A 66 14.176 -4.966 8.624 1.00 0.00 C ATOM 1075 C MET A 66 12.675 -5.231 8.483 1.00 0.00 C ATOM 1076 O MET A 66 12.226 -6.357 8.548 1.00 0.00 O ATOM 1077 CB MET A 66 14.572 -3.778 7.743 1.00 0.00 C ATOM 1078 CG MET A 66 16.095 -3.719 7.619 1.00 0.00 C ATOM 1079 SD MET A 66 16.632 -1.990 7.596 1.00 0.00 S ATOM 1080 CE MET A 66 18.106 -2.223 6.570 1.00 0.00 C ATOM 0 H MET A 66 15.729 -6.418 8.797 1.00 0.00 H new ATOM 0 HA MET A 66 14.406 -4.739 9.665 1.00 0.00 H new ATOM 0 HB2 MET A 66 14.120 -3.877 6.756 1.00 0.00 H new ATOM 0 HB3 MET A 66 14.196 -2.850 8.174 1.00 0.00 H new ATOM 0 HG2 MET A 66 16.559 -4.244 8.454 1.00 0.00 H new ATOM 0 HG3 MET A 66 16.416 -4.223 6.707 1.00 0.00 H new ATOM 0 HE1 MET A 66 18.275 -1.330 5.968 1.00 0.00 H new ATOM 0 HE2 MET A 66 18.971 -2.398 7.210 1.00 0.00 H new ATOM 0 HE3 MET A 66 17.961 -3.081 5.914 1.00 0.00 H new ATOM 1090 N PHE A 67 11.895 -4.202 8.289 1.00 0.00 N ATOM 1091 CA PHE A 67 10.425 -4.401 8.147 1.00 0.00 C ATOM 1092 C PHE A 67 10.009 -4.119 6.702 1.00 0.00 C ATOM 1093 O PHE A 67 9.339 -3.145 6.418 1.00 0.00 O ATOM 1094 CB PHE A 67 9.685 -3.445 9.084 1.00 0.00 C ATOM 1095 CG PHE A 67 10.505 -3.221 10.332 1.00 0.00 C ATOM 1096 CD1 PHE A 67 11.461 -2.197 10.366 1.00 0.00 C ATOM 1097 CD2 PHE A 67 10.309 -4.034 11.455 1.00 0.00 C ATOM 1098 CE1 PHE A 67 12.223 -1.988 11.524 1.00 0.00 C ATOM 1099 CE2 PHE A 67 11.071 -3.825 12.613 1.00 0.00 C ATOM 1100 CZ PHE A 67 12.027 -2.802 12.647 1.00 0.00 C ATOM 0 H PHE A 67 12.212 -3.235 8.223 1.00 0.00 H new ATOM 0 HA PHE A 67 10.173 -5.430 8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.503 -2.495 8.581 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.711 -3.858 9.346 1.00 0.00 H new ATOM 0 HD1 PHE A 67 11.611 -1.569 9.500 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.571 -4.822 11.429 1.00 0.00 H new ATOM 0 HE1 PHE A 67 12.961 -1.200 11.550 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.921 -4.453 13.479 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.613 -2.641 13.540 1.00 0.00 H new ATOM 1110 N VAL A 68 10.399 -4.963 5.789 1.00 0.00 N ATOM 1111 CA VAL A 68 10.025 -4.745 4.363 1.00 0.00 C ATOM 1112 C VAL A 68 8.963 -5.771 3.954 1.00 0.00 C ATOM 1113 O VAL A 68 9.114 -6.956 4.174 1.00 0.00 O ATOM 1114 CB VAL A 68 11.275 -4.898 3.483 1.00 0.00 C ATOM 1115 CG1 VAL A 68 12.165 -6.009 4.046 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.869 -5.250 2.046 1.00 0.00 C ATOM 0 H VAL A 68 10.961 -5.795 5.968 1.00 0.00 H new ATOM 0 HA VAL A 68 9.618 -3.742 4.235 1.00 0.00 H new ATOM 0 HB VAL A 68 11.822 -3.955 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.052 -6.117 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.466 -5.754 5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.612 -6.948 4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.763 -5.356 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.314 -6.188 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.242 -4.456 1.640 1.00 0.00 H new ATOM 1126 N PHE A 69 7.892 -5.324 3.357 1.00 0.00 N ATOM 1127 CA PHE A 69 6.826 -6.273 2.929 1.00 0.00 C ATOM 1128 C PHE A 69 6.828 -6.378 1.396 1.00 0.00 C ATOM 1129 O PHE A 69 7.487 -5.609 0.716 1.00 0.00 O ATOM 1130 CB PHE A 69 5.463 -5.785 3.455 1.00 0.00 C ATOM 1131 CG PHE A 69 4.817 -4.802 2.499 1.00 0.00 C ATOM 1132 CD1 PHE A 69 5.603 -3.957 1.705 1.00 0.00 C ATOM 1133 CD2 PHE A 69 3.421 -4.739 2.411 1.00 0.00 C ATOM 1134 CE1 PHE A 69 4.996 -3.057 0.825 1.00 0.00 C ATOM 1135 CE2 PHE A 69 2.812 -3.836 1.530 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.599 -2.995 0.735 1.00 0.00 C ATOM 0 H PHE A 69 7.709 -4.343 3.147 1.00 0.00 H new ATOM 0 HA PHE A 69 7.014 -7.264 3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.802 -6.639 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.596 -5.313 4.429 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.680 -4.001 1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.813 -5.388 3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.605 -2.408 0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.735 -3.789 1.464 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.131 -2.300 0.054 1.00 0.00 H new ATOM 1146 N LYS A 70 6.106 -7.321 0.845 1.00 0.00 N ATOM 1147 CA LYS A 70 6.088 -7.469 -0.640 1.00 0.00 C ATOM 1148 C LYS A 70 4.654 -7.712 -1.135 1.00 0.00 C ATOM 1149 O LYS A 70 4.090 -8.765 -0.935 1.00 0.00 O ATOM 1150 CB LYS A 70 6.969 -8.659 -1.034 1.00 0.00 C ATOM 1151 CG LYS A 70 6.689 -9.055 -2.485 1.00 0.00 C ATOM 1152 CD LYS A 70 7.478 -10.318 -2.832 1.00 0.00 C ATOM 1153 CE LYS A 70 6.670 -11.552 -2.427 1.00 0.00 C ATOM 1154 NZ LYS A 70 6.930 -12.655 -3.394 1.00 0.00 N ATOM 0 H LYS A 70 5.532 -7.991 1.357 1.00 0.00 H new ATOM 0 HA LYS A 70 6.467 -6.554 -1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.021 -8.399 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.772 -9.503 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.622 -9.230 -2.626 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.970 -8.243 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.691 -10.344 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.438 -10.313 -2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.944 -11.865 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.607 -11.314 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.381 -13.494 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.647 -12.354 -4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.944 -12.888 -3.390 1.00 0.00 H new ATOM 1168 N ILE A 71 4.075 -6.746 -1.797 1.00 0.00 N ATOM 1169 CA ILE A 71 2.688 -6.913 -2.325 1.00 0.00 C ATOM 1170 C ILE A 71 2.762 -7.368 -3.786 1.00 0.00 C ATOM 1171 O ILE A 71 3.796 -7.290 -4.419 1.00 0.00 O ATOM 1172 CB ILE A 71 1.954 -5.563 -2.215 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.331 -5.439 -0.824 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.850 -5.446 -3.275 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.747 -4.037 -0.649 1.00 0.00 C ATOM 0 H ILE A 71 4.505 -5.843 -1.996 1.00 0.00 H new ATOM 0 HA ILE A 71 2.144 -7.663 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 71 2.677 -4.764 -2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.550 -6.188 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.084 -5.629 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.349 -4.483 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.290 -5.523 -4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.126 -6.249 -3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.303 -3.949 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.539 -3.297 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.018 -3.865 -1.406 1.00 0.00 H new ATOM 1187 N THR A 72 1.675 -7.841 -4.323 1.00 0.00 N ATOM 1188 CA THR A 72 1.683 -8.300 -5.743 1.00 0.00 C ATOM 1189 C THR A 72 0.393 -7.847 -6.426 1.00 0.00 C ATOM 1190 O THR A 72 -0.598 -8.551 -6.424 1.00 0.00 O ATOM 1191 CB THR A 72 1.771 -9.828 -5.792 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.941 -10.259 -5.111 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.826 -10.290 -7.248 1.00 0.00 C ATOM 0 H THR A 72 0.780 -7.931 -3.843 1.00 0.00 H new ATOM 0 HA THR A 72 2.544 -7.872 -6.257 1.00 0.00 H new ATOM 0 HB THR A 72 0.893 -10.257 -5.309 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.996 -11.237 -5.142 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.889 -11.378 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.926 -9.962 -7.768 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.703 -9.861 -7.733 1.00 0.00 H new ATOM 1201 N THR A 73 0.393 -6.680 -7.009 1.00 0.00 N ATOM 1202 CA THR A 73 -0.840 -6.193 -7.689 1.00 0.00 C ATOM 1203 C THR A 73 -1.294 -7.237 -8.710 1.00 0.00 C ATOM 1204 O THR A 73 -0.511 -8.037 -9.182 1.00 0.00 O ATOM 1205 CB THR A 73 -0.553 -4.865 -8.398 1.00 0.00 C ATOM 1206 OG1 THR A 73 0.040 -5.124 -9.660 1.00 0.00 O ATOM 1207 CG2 THR A 73 0.398 -4.019 -7.549 1.00 0.00 C ATOM 0 H THR A 73 1.190 -6.045 -7.044 1.00 0.00 H new ATOM 0 HA THR A 73 -1.626 -6.036 -6.951 1.00 0.00 H new ATOM 0 HB THR A 73 -1.487 -4.321 -8.538 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.077 -4.295 -10.181 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.599 -3.076 -8.058 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.060 -3.818 -6.580 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.334 -4.559 -7.403 1.00 0.00 H new ATOM 1215 N THR A 74 -2.554 -7.246 -9.045 1.00 0.00 N ATOM 1216 CA THR A 74 -3.061 -8.249 -10.026 1.00 0.00 C ATOM 1217 C THR A 74 -2.201 -8.231 -11.293 1.00 0.00 C ATOM 1218 O THR A 74 -2.201 -9.170 -12.063 1.00 0.00 O ATOM 1219 CB THR A 74 -4.509 -7.919 -10.390 1.00 0.00 C ATOM 1220 OG1 THR A 74 -4.802 -8.434 -11.681 1.00 0.00 O ATOM 1221 CG2 THR A 74 -4.708 -6.404 -10.382 1.00 0.00 C ATOM 0 H THR A 74 -3.256 -6.602 -8.682 1.00 0.00 H new ATOM 0 HA THR A 74 -3.011 -9.241 -9.577 1.00 0.00 H new ATOM 0 HB THR A 74 -5.179 -8.372 -9.660 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.730 -8.224 -11.914 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.741 -6.171 -10.642 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.487 -6.013 -9.389 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.039 -5.945 -11.110 1.00 0.00 H new ATOM 1229 N LYS A 75 -1.465 -7.176 -11.519 1.00 0.00 N ATOM 1230 CA LYS A 75 -0.612 -7.118 -12.740 1.00 0.00 C ATOM 1231 C LYS A 75 0.757 -7.735 -12.440 1.00 0.00 C ATOM 1232 O LYS A 75 1.748 -7.396 -13.056 1.00 0.00 O ATOM 1233 CB LYS A 75 -0.432 -5.661 -13.172 1.00 0.00 C ATOM 1234 CG LYS A 75 -0.527 -5.568 -14.696 1.00 0.00 C ATOM 1235 CD LYS A 75 -1.753 -4.738 -15.083 1.00 0.00 C ATOM 1236 CE LYS A 75 -3.011 -5.603 -14.981 1.00 0.00 C ATOM 1237 NZ LYS A 75 -3.789 -5.208 -13.773 1.00 0.00 N ATOM 0 H LYS A 75 -1.418 -6.356 -10.914 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.093 -7.677 -13.543 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.196 -5.036 -12.710 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.534 -5.286 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.376 -5.111 -15.100 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.600 -6.566 -15.128 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.841 -3.872 -14.427 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.642 -4.358 -16.099 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.622 -5.482 -15.876 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.737 -6.656 -14.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.635 -5.807 -13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.199 -5.329 -12.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.077 -4.212 -13.856 1.00 0.00 H new ATOM 1251 N GLN A 76 0.821 -8.638 -11.500 1.00 0.00 N ATOM 1252 CA GLN A 76 2.126 -9.274 -11.165 1.00 0.00 C ATOM 1253 C GLN A 76 3.159 -8.188 -10.858 1.00 0.00 C ATOM 1254 O GLN A 76 4.340 -8.358 -11.087 1.00 0.00 O ATOM 1255 CB GLN A 76 2.603 -10.114 -12.352 1.00 0.00 C ATOM 1256 CG GLN A 76 2.958 -11.523 -11.873 1.00 0.00 C ATOM 1257 CD GLN A 76 4.278 -11.962 -12.505 1.00 0.00 C ATOM 1258 OE1 GLN A 76 4.354 -13.009 -13.117 1.00 0.00 O ATOM 1259 NE2 GLN A 76 5.331 -11.200 -12.385 1.00 0.00 N ATOM 0 H GLN A 76 0.026 -8.963 -10.950 1.00 0.00 H new ATOM 0 HA GLN A 76 2.005 -9.916 -10.292 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.824 -10.163 -13.113 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.472 -9.647 -12.816 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.041 -11.538 -10.786 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.165 -12.220 -12.142 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.269 -10.321 -11.872 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.216 -11.484 -12.805 1.00 0.00 H new ATOM 1268 N GLN A 77 2.724 -7.073 -10.339 1.00 0.00 N ATOM 1269 CA GLN A 77 3.682 -5.978 -10.015 1.00 0.00 C ATOM 1270 C GLN A 77 4.084 -6.080 -8.544 1.00 0.00 C ATOM 1271 O GLN A 77 3.319 -5.760 -7.657 1.00 0.00 O ATOM 1272 CB GLN A 77 3.016 -4.624 -10.274 1.00 0.00 C ATOM 1273 CG GLN A 77 3.954 -3.741 -11.097 1.00 0.00 C ATOM 1274 CD GLN A 77 4.818 -2.896 -10.159 1.00 0.00 C ATOM 1275 OE1 GLN A 77 5.505 -3.423 -9.309 1.00 0.00 O ATOM 1276 NE2 GLN A 77 4.811 -1.596 -10.279 1.00 0.00 N ATOM 0 H GLN A 77 1.747 -6.873 -10.125 1.00 0.00 H new ATOM 0 HA GLN A 77 4.569 -6.068 -10.642 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.075 -4.766 -10.805 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.778 -4.137 -9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.587 -4.360 -11.733 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.375 -3.094 -11.756 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.234 -1.153 -10.994 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.383 -1.023 -9.658 1.00 0.00 H new ATOM 1285 N ASP A 78 5.279 -6.530 -8.277 1.00 0.00 N ATOM 1286 CA ASP A 78 5.728 -6.659 -6.863 1.00 0.00 C ATOM 1287 C ASP A 78 6.057 -5.274 -6.298 1.00 0.00 C ATOM 1288 O ASP A 78 6.738 -4.484 -6.919 1.00 0.00 O ATOM 1289 CB ASP A 78 6.978 -7.541 -6.802 1.00 0.00 C ATOM 1290 CG ASP A 78 6.835 -8.700 -7.791 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.821 -9.375 -7.739 1.00 0.00 O ATOM 1292 OD2 ASP A 78 7.743 -8.893 -8.582 1.00 0.00 O ATOM 0 H ASP A 78 5.964 -6.814 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 78 4.931 -7.112 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.863 -6.952 -7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.115 -7.926 -5.792 1.00 0.00 H new ATOM 1297 N HIS A 79 5.582 -4.983 -5.118 1.00 0.00 N ATOM 1298 CA HIS A 79 5.866 -3.658 -4.500 1.00 0.00 C ATOM 1299 C HIS A 79 6.496 -3.881 -3.124 1.00 0.00 C ATOM 1300 O HIS A 79 5.816 -4.169 -2.159 1.00 0.00 O ATOM 1301 CB HIS A 79 4.561 -2.875 -4.341 1.00 0.00 C ATOM 1302 CG HIS A 79 4.114 -2.365 -5.684 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.424 -1.089 -6.130 1.00 0.00 N ATOM 1304 CD2 HIS A 79 3.377 -2.943 -6.686 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.880 -0.944 -7.352 1.00 0.00 C ATOM 1306 NE2 HIS A 79 3.231 -2.045 -7.740 1.00 0.00 N ATOM 0 H HIS A 79 5.007 -5.609 -4.554 1.00 0.00 H new ATOM 0 HA HIS A 79 6.548 -3.093 -5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.791 -3.514 -3.909 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.706 -2.042 -3.654 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.966 -0.388 -5.624 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.971 -3.944 -6.661 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.959 -0.046 -7.947 1.00 0.00 H new ATOM 1314 N PHE A 80 7.791 -3.761 -3.027 1.00 0.00 N ATOM 1315 CA PHE A 80 8.460 -3.976 -1.713 1.00 0.00 C ATOM 1316 C PHE A 80 8.732 -2.629 -1.044 1.00 0.00 C ATOM 1317 O PHE A 80 9.319 -1.742 -1.632 1.00 0.00 O ATOM 1318 CB PHE A 80 9.789 -4.709 -1.924 1.00 0.00 C ATOM 1319 CG PHE A 80 9.688 -5.623 -3.123 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.929 -5.121 -4.409 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.357 -6.973 -2.948 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.838 -5.969 -5.521 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.265 -7.821 -4.060 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.505 -7.319 -5.346 1.00 0.00 C ATOM 0 H PHE A 80 8.414 -3.524 -3.799 1.00 0.00 H new ATOM 0 HA PHE A 80 7.808 -4.574 -1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.593 -3.988 -2.073 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.040 -5.288 -1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.185 -4.080 -4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.173 -7.360 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.024 -5.582 -6.512 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.009 -8.862 -3.926 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.433 -7.973 -6.203 1.00 0.00 H new ATOM 1334 N PHE A 81 8.326 -2.473 0.187 1.00 0.00 N ATOM 1335 CA PHE A 81 8.585 -1.182 0.891 1.00 0.00 C ATOM 1336 C PHE A 81 8.776 -1.444 2.386 1.00 0.00 C ATOM 1337 O PHE A 81 8.133 -2.296 2.968 1.00 0.00 O ATOM 1338 CB PHE A 81 7.420 -0.186 0.631 1.00 0.00 C ATOM 1339 CG PHE A 81 6.485 -0.046 1.826 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.958 0.451 3.050 1.00 0.00 C ATOM 1341 CD2 PHE A 81 5.135 -0.402 1.695 1.00 0.00 C ATOM 1342 CE1 PHE A 81 6.086 0.583 4.140 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.265 -0.268 2.785 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.741 0.222 4.007 1.00 0.00 C ATOM 0 H PHE A 81 7.830 -3.177 0.733 1.00 0.00 H new ATOM 0 HA PHE A 81 9.498 -0.730 0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.833 0.792 0.382 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.848 -0.521 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.996 0.732 3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.766 -0.780 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.453 0.963 5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.226 -0.543 2.682 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.070 0.321 4.847 1.00 0.00 H new ATOM 1354 N GLN A 82 9.650 -0.704 3.012 1.00 0.00 N ATOM 1355 CA GLN A 82 9.877 -0.889 4.471 1.00 0.00 C ATOM 1356 C GLN A 82 9.191 0.254 5.223 1.00 0.00 C ATOM 1357 O GLN A 82 9.269 1.401 4.828 1.00 0.00 O ATOM 1358 CB GLN A 82 11.379 -0.870 4.764 1.00 0.00 C ATOM 1359 CG GLN A 82 11.605 -1.021 6.270 1.00 0.00 C ATOM 1360 CD GLN A 82 12.789 -0.152 6.701 1.00 0.00 C ATOM 1361 OE1 GLN A 82 12.764 0.449 7.756 1.00 0.00 O ATOM 1362 NE2 GLN A 82 13.832 -0.060 5.922 1.00 0.00 N ATOM 0 H GLN A 82 10.217 0.022 2.574 1.00 0.00 H new ATOM 0 HA GLN A 82 9.465 -1.845 4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.876 -1.679 4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.818 0.063 4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.708 -0.726 6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.799 -2.065 6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.853 -0.565 5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 82 14.626 0.517 6.199 1.00 0.00 H new ATOM 1371 N ALA A 83 8.514 -0.048 6.296 1.00 0.00 N ATOM 1372 CA ALA A 83 7.819 1.026 7.061 1.00 0.00 C ATOM 1373 C ALA A 83 8.737 1.553 8.164 1.00 0.00 C ATOM 1374 O ALA A 83 9.945 1.562 8.031 1.00 0.00 O ATOM 1375 CB ALA A 83 6.543 0.461 7.687 1.00 0.00 C ATOM 0 H ALA A 83 8.412 -0.989 6.676 1.00 0.00 H new ATOM 0 HA ALA A 83 7.564 1.842 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.034 1.246 8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.885 0.091 6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.799 -0.357 8.360 1.00 0.00 H new ATOM 1381 N ALA A 84 8.171 1.999 9.252 1.00 0.00 N ATOM 1382 CA ALA A 84 9.003 2.534 10.366 1.00 0.00 C ATOM 1383 C ALA A 84 9.595 1.382 11.170 1.00 0.00 C ATOM 1384 O ALA A 84 10.705 0.946 10.937 1.00 0.00 O ATOM 1385 CB ALA A 84 8.129 3.395 11.282 1.00 0.00 C ATOM 0 H ALA A 84 7.165 2.016 9.417 1.00 0.00 H new ATOM 0 HA ALA A 84 9.812 3.137 9.953 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.735 3.788 12.098 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.708 4.223 10.711 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.321 2.788 11.690 1.00 0.00 H new ATOM 1391 N PHE A 85 8.857 0.895 12.118 1.00 0.00 N ATOM 1392 CA PHE A 85 9.357 -0.230 12.960 1.00 0.00 C ATOM 1393 C PHE A 85 8.363 -1.386 12.895 1.00 0.00 C ATOM 1394 O PHE A 85 7.300 -1.268 12.323 1.00 0.00 O ATOM 1395 CB PHE A 85 9.519 0.223 14.421 1.00 0.00 C ATOM 1396 CG PHE A 85 8.908 1.593 14.619 1.00 0.00 C ATOM 1397 CD1 PHE A 85 7.543 1.716 14.914 1.00 0.00 C ATOM 1398 CD2 PHE A 85 9.707 2.738 14.508 1.00 0.00 C ATOM 1399 CE1 PHE A 85 6.977 2.985 15.096 1.00 0.00 C ATOM 1400 CE2 PHE A 85 9.141 4.008 14.690 1.00 0.00 C ATOM 1401 CZ PHE A 85 7.776 4.131 14.985 1.00 0.00 C ATOM 0 H PHE A 85 7.921 1.226 12.352 1.00 0.00 H new ATOM 0 HA PHE A 85 10.328 -0.551 12.582 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.040 -0.495 15.086 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.576 0.247 14.686 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.928 0.833 15.001 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.759 2.643 14.282 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.925 3.080 15.322 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.756 4.891 14.603 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.340 5.109 15.127 1.00 0.00 H new ATOM 1411 N LEU A 86 8.702 -2.503 13.473 1.00 0.00 N ATOM 1412 CA LEU A 86 7.780 -3.674 13.444 1.00 0.00 C ATOM 1413 C LEU A 86 6.341 -3.210 13.706 1.00 0.00 C ATOM 1414 O LEU A 86 5.415 -3.623 13.038 1.00 0.00 O ATOM 1415 CB LEU A 86 8.211 -4.680 14.526 1.00 0.00 C ATOM 1416 CG LEU A 86 7.009 -5.509 14.994 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.488 -6.853 15.534 1.00 0.00 C ATOM 1418 CD2 LEU A 86 6.273 -4.752 16.104 1.00 0.00 C ATOM 0 H LEU A 86 9.581 -2.657 13.967 1.00 0.00 H new ATOM 0 HA LEU A 86 7.823 -4.150 12.464 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.984 -5.339 14.131 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.646 -4.149 15.373 1.00 0.00 H new ATOM 0 HG LEU A 86 6.337 -5.676 14.152 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.630 -7.439 15.865 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.015 -7.394 14.748 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.161 -6.688 16.375 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.418 -5.339 16.439 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.950 -4.586 16.942 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.927 -3.792 15.722 1.00 0.00 H new ATOM 1430 N GLU A 87 6.143 -2.378 14.686 1.00 0.00 N ATOM 1431 CA GLU A 87 4.761 -1.918 14.996 1.00 0.00 C ATOM 1432 C GLU A 87 4.093 -1.366 13.733 1.00 0.00 C ATOM 1433 O GLU A 87 3.136 -1.923 13.233 1.00 0.00 O ATOM 1434 CB GLU A 87 4.813 -0.827 16.068 1.00 0.00 C ATOM 1435 CG GLU A 87 3.389 -0.428 16.461 1.00 0.00 C ATOM 1436 CD GLU A 87 3.360 -0.032 17.939 1.00 0.00 C ATOM 1437 OE1 GLU A 87 3.932 -0.755 18.737 1.00 0.00 O ATOM 1438 OE2 GLU A 87 2.764 0.987 18.247 1.00 0.00 O ATOM 0 H GLU A 87 6.875 -1.996 15.285 1.00 0.00 H new ATOM 0 HA GLU A 87 4.179 -2.763 15.364 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.355 -1.187 16.942 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.355 0.041 15.692 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.049 0.404 15.844 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.705 -1.258 16.282 1.00 0.00 H new ATOM 1445 N GLU A 88 4.583 -0.270 13.216 1.00 0.00 N ATOM 1446 CA GLU A 88 3.966 0.319 11.991 1.00 0.00 C ATOM 1447 C GLU A 88 4.176 -0.621 10.799 1.00 0.00 C ATOM 1448 O GLU A 88 3.638 -0.409 9.729 1.00 0.00 O ATOM 1449 CB GLU A 88 4.617 1.670 11.694 1.00 0.00 C ATOM 1450 CG GLU A 88 3.529 2.705 11.399 1.00 0.00 C ATOM 1451 CD GLU A 88 3.499 3.750 12.517 1.00 0.00 C ATOM 1452 OE1 GLU A 88 4.467 4.482 12.644 1.00 0.00 O ATOM 1453 OE2 GLU A 88 2.508 3.800 13.226 1.00 0.00 O ATOM 0 H GLU A 88 5.383 0.242 13.588 1.00 0.00 H new ATOM 0 HA GLU A 88 2.897 0.455 12.157 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.219 1.991 12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.291 1.582 10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.722 3.188 10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.559 2.215 11.319 1.00 0.00 H new ATOM 1460 N ARG A 89 4.951 -1.654 10.972 1.00 0.00 N ATOM 1461 CA ARG A 89 5.193 -2.604 9.848 1.00 0.00 C ATOM 1462 C ARG A 89 3.966 -3.503 9.664 1.00 0.00 C ATOM 1463 O ARG A 89 3.405 -3.590 8.588 1.00 0.00 O ATOM 1464 CB ARG A 89 6.423 -3.463 10.168 1.00 0.00 C ATOM 1465 CG ARG A 89 6.454 -4.696 9.261 1.00 0.00 C ATOM 1466 CD ARG A 89 6.319 -4.266 7.800 1.00 0.00 C ATOM 1467 NE ARG A 89 6.032 -5.459 6.956 1.00 0.00 N ATOM 1468 CZ ARG A 89 6.714 -6.559 7.129 1.00 0.00 C ATOM 1469 NH1 ARG A 89 7.938 -6.646 6.685 1.00 0.00 N ATOM 1470 NH2 ARG A 89 6.170 -7.573 7.746 1.00 0.00 N ATOM 0 H ARG A 89 5.429 -1.883 11.844 1.00 0.00 H new ATOM 0 HA ARG A 89 5.369 -2.047 8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.332 -2.877 10.029 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.399 -3.771 11.213 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.387 -5.241 9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.644 -5.375 9.526 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.518 -3.534 7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.237 -3.783 7.466 1.00 0.00 H new ATOM 0 HE ARG A 89 5.303 -5.417 6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.363 -5.854 6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.470 -7.506 6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.213 -7.505 8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.702 -8.433 7.882 1.00 0.00 H new ATOM 1484 N ASP A 90 3.543 -4.170 10.703 1.00 0.00 N ATOM 1485 CA ASP A 90 2.354 -5.059 10.577 1.00 0.00 C ATOM 1486 C ASP A 90 1.081 -4.207 10.587 1.00 0.00 C ATOM 1487 O ASP A 90 0.008 -4.672 10.262 1.00 0.00 O ATOM 1488 CB ASP A 90 2.324 -6.041 11.750 1.00 0.00 C ATOM 1489 CG ASP A 90 3.226 -7.236 11.437 1.00 0.00 C ATOM 1490 OD1 ASP A 90 4.432 -7.054 11.418 1.00 0.00 O ATOM 1491 OD2 ASP A 90 2.695 -8.312 11.221 1.00 0.00 O ATOM 0 H ASP A 90 3.967 -4.138 11.630 1.00 0.00 H new ATOM 0 HA ASP A 90 2.411 -5.616 9.642 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.661 -5.546 12.661 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.303 -6.379 11.929 1.00 0.00 H new ATOM 1496 N ALA A 91 1.193 -2.958 10.946 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.011 -2.084 10.954 1.00 0.00 C ATOM 1498 C ALA A 91 -0.272 -1.615 9.524 1.00 0.00 C ATOM 1499 O ALA A 91 -1.400 -1.441 9.106 1.00 0.00 O ATOM 1500 CB ALA A 91 0.235 -0.874 11.858 1.00 0.00 C ATOM 0 H ALA A 91 2.062 -2.507 11.233 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.873 -2.634 11.332 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.649 -0.236 11.861 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.441 -1.214 12.873 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.089 -0.309 11.485 1.00 0.00 H new ATOM 1506 N TRP A 92 0.774 -1.426 8.765 1.00 0.00 N ATOM 1507 CA TRP A 92 0.614 -0.987 7.356 1.00 0.00 C ATOM 1508 C TRP A 92 0.205 -2.195 6.509 1.00 0.00 C ATOM 1509 O TRP A 92 -0.525 -2.076 5.546 1.00 0.00 O ATOM 1510 CB TRP A 92 1.955 -0.452 6.850 1.00 0.00 C ATOM 1511 CG TRP A 92 1.907 1.037 6.757 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.405 1.888 7.683 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.346 1.866 5.698 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.188 3.186 7.260 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.537 3.226 6.043 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.696 1.573 4.484 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.098 4.259 5.213 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.253 2.609 3.646 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.454 3.949 4.009 1.00 0.00 C ATOM 0 H TRP A 92 1.739 -1.559 9.067 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.146 -0.208 7.287 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.755 -0.757 7.524 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.181 -0.879 5.873 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.893 1.600 8.603 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.474 4.014 7.783 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.537 0.545 4.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.254 5.289 5.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.245 2.373 2.717 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.112 4.741 3.360 1.00 0.00 H new ATOM 1530 N VAL A 93 0.680 -3.357 6.870 1.00 0.00 N ATOM 1531 CA VAL A 93 0.335 -4.586 6.101 1.00 0.00 C ATOM 1532 C VAL A 93 -1.085 -5.037 6.455 1.00 0.00 C ATOM 1533 O VAL A 93 -1.774 -5.636 5.656 1.00 0.00 O ATOM 1534 CB VAL A 93 1.324 -5.696 6.467 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.751 -5.153 6.401 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.030 -6.186 7.882 1.00 0.00 C ATOM 0 H VAL A 93 1.296 -3.508 7.669 1.00 0.00 H new ATOM 0 HA VAL A 93 0.389 -4.375 5.033 1.00 0.00 H new ATOM 0 HB VAL A 93 1.220 -6.523 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.454 -5.944 6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.960 -4.801 5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.859 -4.326 7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.732 -6.977 8.147 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.135 -5.358 8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.012 -6.574 7.929 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.519 -4.762 7.655 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.887 -5.185 8.067 1.00 0.00 C ATOM 1548 C ARG A 94 -3.927 -4.212 7.509 1.00 0.00 C ATOM 1549 O ARG A 94 -5.067 -4.571 7.288 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.975 -5.198 9.594 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.209 -6.405 10.140 1.00 0.00 C ATOM 1552 CD ARG A 94 -2.840 -7.690 9.605 1.00 0.00 C ATOM 1553 NE ARG A 94 -2.433 -8.839 10.464 1.00 0.00 N ATOM 1554 CZ ARG A 94 -3.075 -9.087 11.574 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -4.372 -8.943 11.626 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -2.420 -9.483 12.631 1.00 0.00 N ATOM 0 H ARG A 94 -0.986 -4.263 8.367 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.085 -6.183 7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.559 -4.276 10.001 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -4.018 -5.243 9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.162 -6.350 9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.232 -6.402 11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.926 -7.597 9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.524 -7.862 8.576 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.652 -9.432 10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.885 -8.637 10.799 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.872 -9.137 12.493 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.407 -9.599 12.590 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.921 -9.677 13.498 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.553 -2.983 7.284 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.534 -1.999 6.748 1.00 0.00 C ATOM 1572 C ASP A 95 -4.560 -2.064 5.217 1.00 0.00 C ATOM 1573 O ASP A 95 -5.612 -2.059 4.610 1.00 0.00 O ATOM 1574 CB ASP A 95 -4.138 -0.592 7.193 1.00 0.00 C ATOM 1575 CG ASP A 95 -5.171 -0.059 8.189 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -6.297 -0.529 8.152 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.819 0.810 8.969 1.00 0.00 O ATOM 0 H ASP A 95 -2.614 -2.619 7.447 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.526 -2.239 7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.150 -0.610 7.653 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.076 0.070 6.329 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.418 -2.125 4.585 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.405 -2.189 3.094 1.00 0.00 C ATOM 1584 C ILE A 96 -3.954 -3.547 2.645 1.00 0.00 C ATOM 1585 O ILE A 96 -4.575 -3.664 1.608 1.00 0.00 O ATOM 1586 CB ILE A 96 -1.973 -2.010 2.573 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.550 -0.544 2.757 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -1.927 -2.381 1.087 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.365 -0.203 1.841 1.00 0.00 C ATOM 0 H ILE A 96 -2.501 -2.133 5.032 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.027 -1.390 2.691 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.292 -2.656 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.390 0.113 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.275 -0.367 3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.911 -2.255 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.234 -3.419 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.603 -1.733 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.081 0.839 1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.480 -0.847 2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.652 -0.359 0.801 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.734 -4.571 3.424 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.246 -5.921 3.050 1.00 0.00 C ATOM 1603 C ASN A 97 -5.693 -6.064 3.520 1.00 0.00 C ATOM 1604 O ASN A 97 -6.512 -6.676 2.862 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.382 -6.993 3.717 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.020 -8.369 3.512 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.562 -8.659 2.362 1.00 0.00 O flip ATOM 1608 ND2 ASN A 97 -4.024 -9.188 4.410 1.00 0.00 N flip ATOM 0 H ASN A 97 -3.221 -4.531 4.305 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.204 -6.042 1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.378 -6.980 3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.282 -6.783 4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.600 -8.961 5.309 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.451 -10.103 4.264 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.019 -5.503 4.651 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.416 -5.605 5.157 1.00 0.00 C ATOM 1617 C LYS A 98 -8.349 -4.839 4.218 1.00 0.00 C ATOM 1618 O LYS A 98 -9.481 -5.221 4.002 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.498 -5.002 6.560 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.955 -4.977 7.023 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.003 -4.973 8.552 1.00 0.00 C ATOM 1622 CE LYS A 98 -10.333 -4.379 9.020 1.00 0.00 C ATOM 1623 NZ LYS A 98 -10.681 -4.941 10.355 1.00 0.00 N ATOM 0 H LYS A 98 -5.378 -4.978 5.247 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.714 -6.653 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.895 -5.587 7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.089 -3.991 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.458 -4.093 6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.487 -5.845 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.892 -5.988 8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.172 -4.391 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.259 -3.293 9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.119 -4.607 8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.585 -4.539 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.767 -5.975 10.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.934 -4.702 11.038 1.00 0.00 H new ATOM 1637 N ALA A 99 -7.878 -3.759 3.656 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.732 -2.966 2.730 1.00 0.00 C ATOM 1639 C ALA A 99 -8.726 -3.623 1.347 1.00 0.00 C ATOM 1640 O ALA A 99 -9.685 -3.540 0.607 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.183 -1.542 2.624 1.00 0.00 C ATOM 0 H ALA A 99 -6.937 -3.392 3.799 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.752 -2.932 3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.808 -0.961 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.186 -1.076 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.163 -1.573 2.241 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.652 -4.277 0.994 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.590 -4.941 -0.338 1.00 0.00 C ATOM 1649 C ILE A 100 -8.484 -6.184 -0.321 1.00 0.00 C ATOM 1650 O ILE A 100 -9.025 -6.584 -1.333 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.141 -5.342 -0.642 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.354 -4.106 -1.080 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.113 -6.382 -1.765 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -3.861 -4.344 -0.844 1.00 0.00 C ATOM 0 H ILE A 100 -6.817 -4.380 1.570 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.939 -4.256 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.692 -5.768 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.538 -3.899 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.687 -3.232 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.081 -6.662 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.673 -7.265 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.565 -5.960 -2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.299 -3.464 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.685 -4.530 0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.534 -5.207 -1.423 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.644 -6.798 0.818 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.504 -8.014 0.892 1.00 0.00 C ATOM 1668 C LYS A 101 -10.924 -7.612 1.286 1.00 0.00 C ATOM 1669 O LYS A 101 -11.867 -8.356 1.106 1.00 0.00 O ATOM 1670 CB LYS A 101 -8.938 -8.979 1.935 1.00 0.00 C ATOM 1671 CG LYS A 101 -7.454 -9.222 1.653 1.00 0.00 C ATOM 1672 CD LYS A 101 -7.268 -10.629 1.086 1.00 0.00 C ATOM 1673 CE LYS A 101 -7.764 -10.664 -0.360 1.00 0.00 C ATOM 1674 NZ LYS A 101 -7.835 -12.077 -0.827 1.00 0.00 N ATOM 0 H LYS A 101 -8.218 -6.512 1.700 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.523 -8.504 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.066 -8.566 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.484 -9.922 1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.081 -8.481 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.875 -9.108 2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.217 -10.914 1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.819 -11.351 1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.746 -10.197 -0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.092 -10.092 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.172 -12.101 -1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.890 -12.508 -0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.492 -12.610 -0.222 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.080 -6.438 1.822 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.436 -5.974 2.230 1.00 0.00 C ATOM 1690 C CYS A 102 -13.040 -5.119 1.114 1.00 0.00 C ATOM 1691 O CYS A 102 -14.229 -4.870 1.082 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.324 -5.140 3.508 1.00 0.00 C ATOM 1693 SG CYS A 102 -12.295 -6.240 4.946 1.00 0.00 S ATOM 0 H CYS A 102 -10.325 -5.775 1.997 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.077 -6.837 2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.418 -4.534 3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -13.166 -4.451 3.580 1.00 0.00 H new ATOM 0 HG CYS A 102 -12.198 -5.532 6.032 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.226 -4.660 0.202 1.00 0.00 N ATOM 1700 CA ILE A 103 -12.740 -3.815 -0.905 1.00 0.00 C ATOM 1701 C ILE A 103 -13.208 -4.707 -2.059 1.00 0.00 C ATOM 1702 O ILE A 103 -13.922 -4.273 -2.940 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.612 -2.900 -1.379 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.124 -1.992 -2.492 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -10.456 -3.749 -1.910 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.061 -0.936 -1.902 1.00 0.00 C ATOM 0 H ILE A 103 -11.222 -4.837 0.179 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.584 -3.217 -0.561 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.265 -2.292 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.286 -1.509 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.650 -2.581 -3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.651 -3.097 -2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.087 -4.399 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.805 -4.358 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.426 -0.288 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.905 -1.428 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -12.520 -0.339 -1.168 1.00 0.00 H new ATOM 1718 N GLU A 104 -12.815 -5.954 -2.059 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.244 -6.869 -3.155 1.00 0.00 C ATOM 1720 C GLU A 104 -14.740 -7.154 -3.023 1.00 0.00 C ATOM 1721 O GLU A 104 -15.364 -7.692 -3.916 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.463 -8.182 -3.064 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.005 -7.887 -2.706 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.089 -8.847 -3.467 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -9.958 -8.680 -4.668 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -9.536 -9.732 -2.836 1.00 0.00 O ATOM 0 H GLU A 104 -12.217 -6.377 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.047 -6.398 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.909 -8.831 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.514 -8.714 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.759 -6.856 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.854 -7.997 -1.632 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.317 -6.790 -1.915 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.775 -7.027 -1.711 1.00 0.00 C ATOM 1735 C GLY A 105 -17.467 -5.693 -1.437 1.00 0.00 C ATOM 1736 O GLY A 105 -18.608 -5.644 -1.023 1.00 0.00 O ATOM 0 H GLY A 105 -14.841 -6.336 -1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.206 -7.499 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.931 -7.710 -0.876 1.00 0.00 H new ATOM 1740 N LEU A 106 -16.780 -4.611 -1.667 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.381 -3.272 -1.424 1.00 0.00 C ATOM 1742 C LEU A 106 -17.785 -2.657 -2.759 1.00 0.00 C ATOM 1743 O LEU A 106 -17.338 -1.590 -3.130 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.356 -2.374 -0.729 1.00 0.00 C ATOM 1745 CG LEU A 106 -16.790 -2.122 0.715 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -15.584 -1.667 1.537 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.862 -1.031 0.741 1.00 0.00 C ATOM 0 H LEU A 106 -15.821 -4.597 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.261 -3.370 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.373 -2.845 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.266 -1.428 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 106 -17.194 -3.041 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -15.893 -1.487 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -14.818 -2.442 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -15.181 -0.747 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -18.172 -0.850 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -17.456 -0.112 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -18.722 -1.352 0.154 1.00 0.00 H new