USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 523 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 39 THR OG1 : rot -9:sc= 0.295 USER MOD Set 1.2: A 69 THR OG1 : rot -106:sc= 0.847 USER MOD Set 2.1: A 14 THR OG1 : rot 51:sc= -1.72! USER MOD Set 2.2: A 17 SER OG : rot 124:sc= -2.52! USER MOD Single : A 16 THR OG1 : rot -46:sc= 0.141! USER MOD Single : A 21 SER OG : rot 67:sc= -2.54! USER MOD Single : A 31 TYR OH : rot 120:sc= 0.292 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -92:sc= 0.159 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= -1.88 (180deg=-2.31) USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -1.13! F(o=-1.9,f=-1.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.516 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 9.416 1.990 -6.985 1.00 0.00 N ATOM 109 CA LEU A 8 8.327 1.057 -6.577 1.00 0.00 C ATOM 110 C LEU A 8 8.938 -0.312 -6.302 1.00 0.00 C ATOM 111 O LEU A 8 9.587 -0.871 -7.164 1.00 0.00 O ATOM 112 CB LEU A 8 7.323 0.918 -7.732 1.00 0.00 C ATOM 113 CG LEU A 8 6.710 2.282 -8.040 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.394 2.866 -9.275 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.216 2.106 -8.324 1.00 0.00 C ATOM 0 HA LEU A 8 7.824 1.439 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.823 0.524 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.541 0.208 -7.465 1.00 0.00 H new ATOM 0 HG LEU A 8 6.846 2.953 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.963 3.841 -9.503 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.461 2.978 -9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.247 2.197 -10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.771 3.076 -8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.084 1.443 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.728 1.673 -7.451 1.00 0.00 H new ATOM 127 N GLU A 9 8.739 -0.842 -5.126 1.00 0.00 N ATOM 128 CA GLU A 9 9.336 -2.176 -4.853 1.00 0.00 C ATOM 129 C GLU A 9 8.694 -2.878 -3.664 1.00 0.00 C ATOM 130 O GLU A 9 7.902 -2.302 -2.942 1.00 0.00 O ATOM 131 CB GLU A 9 10.827 -1.969 -4.541 1.00 0.00 C ATOM 132 CG GLU A 9 11.643 -3.067 -5.221 1.00 0.00 C ATOM 133 CD GLU A 9 11.755 -2.760 -6.715 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.514 -1.858 -7.026 1.00 0.00 O ATOM 135 OE2 GLU A 9 11.073 -3.444 -7.461 1.00 0.00 O ATOM 0 H GLU A 9 8.205 -0.423 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 9 9.175 -2.802 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.151 -0.989 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.991 -1.992 -3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.636 -3.128 -4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.167 -4.036 -5.072 1.00 0.00 H new ATOM 142 N VAL A 10 9.061 -4.127 -3.493 1.00 0.00 N ATOM 143 CA VAL A 10 8.508 -4.919 -2.369 1.00 0.00 C ATOM 144 C VAL A 10 9.342 -4.697 -1.112 1.00 0.00 C ATOM 145 O VAL A 10 10.553 -4.808 -1.146 1.00 0.00 O ATOM 146 CB VAL A 10 8.574 -6.407 -2.748 1.00 0.00 C ATOM 147 CG1 VAL A 10 7.641 -7.202 -1.832 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.121 -6.578 -4.197 1.00 0.00 C ATOM 0 H VAL A 10 9.722 -4.625 -4.090 1.00 0.00 H new ATOM 0 HA VAL A 10 7.480 -4.611 -2.176 1.00 0.00 H new ATOM 0 HB VAL A 10 9.596 -6.770 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.684 -8.258 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.953 -7.075 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.620 -6.840 -1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.166 -7.632 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.097 -6.219 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.776 -6.005 -4.853 1.00 0.00 H new ATOM 158 N VAL A 11 8.687 -4.388 -0.025 1.00 0.00 N ATOM 159 CA VAL A 11 9.441 -4.157 1.237 1.00 0.00 C ATOM 160 C VAL A 11 9.486 -5.412 2.088 1.00 0.00 C ATOM 161 O VAL A 11 10.384 -5.596 2.885 1.00 0.00 O ATOM 162 CB VAL A 11 8.733 -3.041 2.027 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.114 -3.137 3.506 1.00 0.00 C ATOM 164 CG2 VAL A 11 9.185 -1.686 1.487 1.00 0.00 C ATOM 0 H VAL A 11 7.674 -4.287 0.043 1.00 0.00 H new ATOM 0 HA VAL A 11 10.465 -3.875 0.990 1.00 0.00 H new ATOM 0 HB VAL A 11 7.654 -3.148 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.612 -2.346 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.809 -4.107 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.193 -3.026 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.688 -0.889 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.265 -1.590 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.925 -1.610 0.431 1.00 0.00 H new ATOM 174 N ALA A 12 8.525 -6.257 1.902 1.00 0.00 N ATOM 175 CA ALA A 12 8.496 -7.508 2.695 1.00 0.00 C ATOM 176 C ALA A 12 7.483 -8.485 2.129 1.00 0.00 C ATOM 177 O ALA A 12 6.729 -8.154 1.235 1.00 0.00 O ATOM 178 CB ALA A 12 8.094 -7.160 4.137 1.00 0.00 C ATOM 0 H ALA A 12 7.759 -6.139 1.238 1.00 0.00 H new ATOM 0 HA ALA A 12 9.482 -7.971 2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.067 -8.070 4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.821 -6.467 4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.108 -6.696 4.138 1.00 0.00 H new ATOM 184 N ALA A 13 7.479 -9.674 2.657 1.00 0.00 N ATOM 185 CA ALA A 13 6.520 -10.681 2.159 1.00 0.00 C ATOM 186 C ALA A 13 6.231 -11.734 3.220 1.00 0.00 C ATOM 187 O ALA A 13 7.011 -12.642 3.425 1.00 0.00 O ATOM 188 CB ALA A 13 7.139 -11.369 0.933 1.00 0.00 C ATOM 0 H ALA A 13 8.096 -9.986 3.407 1.00 0.00 H new ATOM 0 HA ALA A 13 5.584 -10.184 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.447 -12.118 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.337 -10.626 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.073 -11.852 1.220 1.00 0.00 H new ATOM 194 N THR A 14 5.115 -11.588 3.884 1.00 0.00 N ATOM 195 CA THR A 14 4.760 -12.574 4.932 1.00 0.00 C ATOM 196 C THR A 14 4.392 -13.913 4.275 1.00 0.00 C ATOM 197 O THR A 14 4.112 -13.961 3.093 1.00 0.00 O ATOM 198 CB THR A 14 3.541 -12.033 5.701 1.00 0.00 C ATOM 199 OG1 THR A 14 3.060 -10.958 4.920 1.00 0.00 O ATOM 200 CG2 THR A 14 3.965 -11.379 7.031 1.00 0.00 C ATOM 0 H THR A 14 4.443 -10.834 3.744 1.00 0.00 H new ATOM 0 HA THR A 14 5.602 -12.728 5.607 1.00 0.00 H new ATOM 0 HB THR A 14 2.835 -12.843 5.885 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.949 -11.252 3.992 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.082 -11.007 7.551 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.469 -12.117 7.655 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.644 -10.550 6.829 1.00 0.00 H new ATOM 208 N PRO A 15 4.401 -14.990 5.051 1.00 0.00 N ATOM 209 CA PRO A 15 4.066 -16.306 4.515 1.00 0.00 C ATOM 210 C PRO A 15 2.711 -16.301 3.811 1.00 0.00 C ATOM 211 O PRO A 15 2.333 -17.269 3.184 1.00 0.00 O ATOM 212 CB PRO A 15 4.010 -17.234 5.746 1.00 0.00 C ATOM 213 CG PRO A 15 4.440 -16.390 6.985 1.00 0.00 C ATOM 214 CD PRO A 15 4.731 -14.963 6.486 1.00 0.00 C ATOM 0 HA PRO A 15 4.798 -16.625 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.004 -17.631 5.882 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.674 -18.088 5.614 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.651 -16.381 7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.324 -16.821 7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.126 -14.228 7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.775 -14.693 6.647 1.00 0.00 H new ATOM 222 N THR A 16 2.005 -15.209 3.921 1.00 0.00 N ATOM 223 CA THR A 16 0.678 -15.138 3.259 1.00 0.00 C ATOM 224 C THR A 16 0.231 -13.690 3.079 1.00 0.00 C ATOM 225 O THR A 16 -0.938 -13.383 3.187 1.00 0.00 O ATOM 226 CB THR A 16 -0.342 -15.861 4.147 1.00 0.00 C ATOM 227 OG1 THR A 16 0.289 -17.065 4.538 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.558 -16.312 3.327 1.00 0.00 C ATOM 0 H THR A 16 2.287 -14.374 4.434 1.00 0.00 H new ATOM 0 HA THR A 16 0.748 -15.604 2.276 1.00 0.00 H new ATOM 0 HB THR A 16 -0.652 -15.206 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.703 -17.486 3.756 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.267 -16.822 3.979 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.038 -15.442 2.879 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.234 -16.993 2.540 1.00 0.00 H new ATOM 236 N SER A 17 1.172 -12.824 2.805 1.00 0.00 N ATOM 237 CA SER A 17 0.807 -11.399 2.615 1.00 0.00 C ATOM 238 C SER A 17 1.965 -10.608 2.010 1.00 0.00 C ATOM 239 O SER A 17 3.034 -10.529 2.583 1.00 0.00 O ATOM 240 CB SER A 17 0.463 -10.799 3.986 1.00 0.00 C ATOM 241 OG SER A 17 0.831 -11.809 4.911 1.00 0.00 O ATOM 0 H SER A 17 2.163 -13.043 2.707 1.00 0.00 H new ATOM 0 HA SER A 17 -0.043 -11.342 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.013 -9.875 4.166 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.597 -10.558 4.060 1.00 0.00 H new ATOM 0 HG SER A 17 1.465 -11.441 5.562 1.00 0.00 H new ATOM 247 N LEU A 18 1.726 -10.031 0.861 1.00 0.00 N ATOM 248 CA LEU A 18 2.793 -9.239 0.197 1.00 0.00 C ATOM 249 C LEU A 18 2.633 -7.754 0.504 1.00 0.00 C ATOM 250 O LEU A 18 1.594 -7.176 0.249 1.00 0.00 O ATOM 251 CB LEU A 18 2.671 -9.445 -1.323 1.00 0.00 C ATOM 252 CG LEU A 18 3.937 -8.917 -2.012 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.932 -10.066 -2.192 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.566 -8.361 -3.389 1.00 0.00 C ATOM 0 H LEU A 18 0.840 -10.076 0.358 1.00 0.00 H new ATOM 0 HA LEU A 18 3.765 -9.570 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.535 -10.503 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.792 -8.923 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 18 4.384 -8.132 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.832 -9.694 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.192 -10.478 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.481 -10.845 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.462 -7.985 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.124 -9.153 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.848 -7.549 -3.272 1.00 0.00 H new ATOM 266 N LEU A 19 3.671 -7.166 1.047 1.00 0.00 N ATOM 267 CA LEU A 19 3.609 -5.716 1.384 1.00 0.00 C ATOM 268 C LEU A 19 4.443 -4.897 0.400 1.00 0.00 C ATOM 269 O LEU A 19 5.649 -5.031 0.354 1.00 0.00 O ATOM 270 CB LEU A 19 4.191 -5.532 2.800 1.00 0.00 C ATOM 271 CG LEU A 19 3.402 -4.447 3.542 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.912 -4.347 4.980 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.615 -3.106 2.842 1.00 0.00 C ATOM 0 H LEU A 19 4.553 -7.628 1.269 1.00 0.00 H new ATOM 0 HA LEU A 19 2.575 -5.375 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.142 -6.472 3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.243 -5.253 2.739 1.00 0.00 H new ATOM 0 HG LEU A 19 2.342 -4.700 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.354 -3.576 5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.776 -5.305 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.971 -4.088 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.056 -2.330 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.676 -2.856 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.265 -3.174 1.812 1.00 0.00 H new ATOM 285 N ILE A 20 3.777 -4.062 -0.372 1.00 0.00 N ATOM 286 CA ILE A 20 4.513 -3.222 -1.365 1.00 0.00 C ATOM 287 C ILE A 20 4.552 -1.768 -0.917 1.00 0.00 C ATOM 288 O ILE A 20 3.870 -1.385 0.015 1.00 0.00 O ATOM 289 CB ILE A 20 3.795 -3.331 -2.727 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.822 -2.165 -2.929 1.00 0.00 C ATOM 291 CG2 ILE A 20 2.994 -4.648 -2.740 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.916 -2.469 -4.125 1.00 0.00 C ATOM 0 H ILE A 20 2.766 -3.930 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 20 5.540 -3.578 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 20 4.537 -3.307 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.222 -2.016 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.374 -1.241 -3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.476 -4.749 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.674 -5.489 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.264 -4.638 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.221 -1.643 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.525 -2.597 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.356 -3.384 -3.934 1.00 0.00 H new ATOM 304 N SER A 21 5.347 -0.976 -1.590 1.00 0.00 N ATOM 305 CA SER A 21 5.435 0.454 -1.205 1.00 0.00 C ATOM 306 C SER A 21 5.955 1.312 -2.346 1.00 0.00 C ATOM 307 O SER A 21 6.856 0.921 -3.064 1.00 0.00 O ATOM 308 CB SER A 21 6.411 0.571 -0.027 1.00 0.00 C ATOM 309 OG SER A 21 7.183 -0.618 -0.103 1.00 0.00 O ATOM 0 H SER A 21 5.930 -1.258 -2.378 1.00 0.00 H new ATOM 0 HA SER A 21 4.437 0.805 -0.942 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.036 1.460 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.883 0.644 0.924 1.00 0.00 H new ATOM 0 HG SER A 21 7.732 -0.600 -0.915 1.00 0.00 H new ATOM 315 N TRP A 22 5.363 2.475 -2.496 1.00 0.00 N ATOM 316 CA TRP A 22 5.801 3.386 -3.579 1.00 0.00 C ATOM 317 C TRP A 22 5.830 4.835 -3.077 1.00 0.00 C ATOM 318 O TRP A 22 6.335 5.090 -2.002 1.00 0.00 O ATOM 319 CB TRP A 22 4.856 3.222 -4.810 1.00 0.00 C ATOM 320 CG TRP A 22 3.423 3.708 -4.518 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.921 4.831 -5.004 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.517 3.047 -3.817 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.649 4.834 -4.561 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.315 3.738 -3.797 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.605 1.830 -3.163 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.225 3.225 -3.127 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.514 1.322 -2.494 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.324 2.017 -2.476 1.00 0.00 C ATOM 0 H TRP A 22 4.601 2.823 -1.914 1.00 0.00 H new ATOM 0 HA TRP A 22 6.814 3.128 -3.888 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.262 3.781 -5.653 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.828 2.173 -5.106 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.416 5.573 -5.614 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.990 5.583 -4.773 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.533 1.277 -3.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.707 3.771 -3.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.591 0.375 -1.981 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.530 1.614 -1.952 1.00 0.00 H new ATOM 415 N VAL A 29 -3.073 14.548 -4.220 1.00 0.00 N ATOM 416 CA VAL A 29 -3.481 13.223 -4.733 1.00 0.00 C ATOM 417 C VAL A 29 -4.818 12.796 -4.147 1.00 0.00 C ATOM 418 O VAL A 29 -4.940 12.591 -2.955 1.00 0.00 O ATOM 419 CB VAL A 29 -2.416 12.197 -4.324 1.00 0.00 C ATOM 420 CG1 VAL A 29 -2.587 10.933 -5.169 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.027 12.788 -4.573 1.00 0.00 C ATOM 0 HA VAL A 29 -3.580 13.281 -5.817 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.526 11.951 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.833 10.200 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.580 10.516 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.470 11.182 -6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.266 12.063 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.918 13.027 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.906 13.696 -3.982 1.00 0.00 H new ATOM 431 N ARG A 30 -5.807 12.677 -4.995 1.00 0.00 N ATOM 432 CA ARG A 30 -7.138 12.261 -4.499 1.00 0.00 C ATOM 433 C ARG A 30 -7.069 10.832 -3.990 1.00 0.00 C ATOM 434 O ARG A 30 -7.374 10.562 -2.845 1.00 0.00 O ATOM 435 CB ARG A 30 -8.143 12.333 -5.660 1.00 0.00 C ATOM 436 CG ARG A 30 -8.295 13.791 -6.109 1.00 0.00 C ATOM 437 CD ARG A 30 -9.785 14.120 -6.242 1.00 0.00 C ATOM 438 NE ARG A 30 -10.408 13.158 -7.192 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.656 13.317 -7.542 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.160 14.521 -7.551 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.356 12.268 -7.872 1.00 0.00 N ATOM 0 H ARG A 30 -5.745 12.850 -5.998 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.450 12.919 -3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.800 11.718 -6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.108 11.935 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.825 14.458 -5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.789 13.946 -7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.273 14.059 -5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.915 15.141 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.864 12.381 -7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.581 15.318 -7.287 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.133 14.665 -7.822 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.927 11.343 -7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.332 12.373 -8.148 1.00 0.00 H new ATOM 455 N TYR A 31 -6.668 9.933 -4.854 1.00 0.00 N ATOM 456 CA TYR A 31 -6.570 8.517 -4.431 1.00 0.00 C ATOM 457 C TYR A 31 -5.768 7.693 -5.423 1.00 0.00 C ATOM 458 O TYR A 31 -5.461 8.137 -6.514 1.00 0.00 O ATOM 459 CB TYR A 31 -7.978 7.904 -4.297 1.00 0.00 C ATOM 460 CG TYR A 31 -8.878 8.347 -5.457 1.00 0.00 C ATOM 461 CD1 TYR A 31 -8.857 7.669 -6.662 1.00 0.00 C ATOM 462 CD2 TYR A 31 -9.764 9.392 -5.295 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.711 8.032 -7.685 1.00 0.00 C ATOM 464 CE2 TYR A 31 -10.617 9.752 -6.320 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.597 9.075 -7.522 1.00 0.00 C ATOM 466 OH TYR A 31 -11.458 9.428 -8.541 1.00 0.00 O ATOM 0 H TYR A 31 -6.408 10.122 -5.822 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.060 8.499 -3.468 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.906 6.816 -4.282 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.423 8.207 -3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.168 6.850 -6.804 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.791 9.932 -4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.684 7.494 -8.621 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.306 10.571 -6.179 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.384 9.338 -8.233 1.00 0.00 H new ATOM 476 N TYR A 32 -5.450 6.500 -5.012 1.00 0.00 N ATOM 477 CA TYR A 32 -4.664 5.582 -5.879 1.00 0.00 C ATOM 478 C TYR A 32 -5.437 4.286 -6.098 1.00 0.00 C ATOM 479 O TYR A 32 -6.183 3.871 -5.236 1.00 0.00 O ATOM 480 CB TYR A 32 -3.364 5.218 -5.128 1.00 0.00 C ATOM 481 CG TYR A 32 -2.172 6.035 -5.645 1.00 0.00 C ATOM 482 CD1 TYR A 32 -1.405 5.579 -6.705 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.797 7.199 -5.004 1.00 0.00 C ATOM 484 CE1 TYR A 32 -0.279 6.278 -7.108 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.675 7.893 -5.409 1.00 0.00 C ATOM 486 CZ TYR A 32 0.089 7.439 -6.459 1.00 0.00 C ATOM 487 OH TYR A 32 1.216 8.130 -6.838 1.00 0.00 O ATOM 0 H TYR A 32 -5.704 6.117 -4.101 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.464 6.066 -6.835 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.496 5.398 -4.061 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.158 4.154 -5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.687 4.673 -7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.387 7.570 -4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.314 5.913 -7.934 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.394 8.801 -4.897 1.00 0.00 H new ATOM 0 HH TYR A 32 1.319 8.923 -6.272 1.00 0.00 H new ATOM 497 N ARG A 33 -5.253 3.675 -7.246 1.00 0.00 N ATOM 498 CA ARG A 33 -5.977 2.395 -7.525 1.00 0.00 C ATOM 499 C ARG A 33 -4.978 1.325 -7.935 1.00 0.00 C ATOM 500 O ARG A 33 -4.422 1.370 -9.017 1.00 0.00 O ATOM 501 CB ARG A 33 -6.990 2.614 -8.664 1.00 0.00 C ATOM 502 CG ARG A 33 -7.430 4.079 -8.684 1.00 0.00 C ATOM 503 CD ARG A 33 -8.801 4.181 -9.357 1.00 0.00 C ATOM 504 NE ARG A 33 -9.841 3.662 -8.421 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.649 2.717 -8.820 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.573 3.006 -9.694 1.00 0.00 N ATOM 507 NH2 ARG A 33 -10.507 1.515 -8.329 1.00 0.00 N ATOM 0 H ARG A 33 -4.640 4.003 -7.993 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.504 2.075 -6.627 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.541 2.345 -9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.855 1.966 -8.525 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.480 4.471 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.701 4.683 -9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.015 5.217 -9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.809 3.608 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.920 4.042 -7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.655 3.957 -10.054 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.213 2.281 -10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.774 1.327 -7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.129 0.765 -8.629 1.00 0.00 H new ATOM 521 N ILE A 34 -4.768 0.375 -7.055 1.00 0.00 N ATOM 522 CA ILE A 34 -3.806 -0.715 -7.361 1.00 0.00 C ATOM 523 C ILE A 34 -4.516 -1.994 -7.800 1.00 0.00 C ATOM 524 O ILE A 34 -5.417 -2.471 -7.138 1.00 0.00 O ATOM 525 CB ILE A 34 -3.006 -1.007 -6.083 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.369 0.281 -5.572 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.884 -2.012 -6.414 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.220 0.846 -4.432 1.00 0.00 C ATOM 0 H ILE A 34 -5.222 0.313 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.161 -0.395 -8.179 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.672 -1.416 -5.323 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.355 0.086 -5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.293 1.009 -6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.310 -2.226 -5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.323 -2.935 -6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.226 -1.586 -7.171 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.769 1.767 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.225 1.056 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.273 0.118 -3.622 1.00 0.00 H new ATOM 540 N THR A 35 -4.083 -2.519 -8.920 1.00 0.00 N ATOM 541 CA THR A 35 -4.692 -3.769 -9.453 1.00 0.00 C ATOM 542 C THR A 35 -3.592 -4.768 -9.757 1.00 0.00 C ATOM 543 O THR A 35 -2.550 -4.389 -10.256 1.00 0.00 O ATOM 544 CB THR A 35 -5.422 -3.441 -10.762 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.415 -3.421 -11.757 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.970 -2.007 -10.744 1.00 0.00 C ATOM 0 H THR A 35 -3.330 -2.131 -9.488 1.00 0.00 H new ATOM 0 HA THR A 35 -5.385 -4.184 -8.721 1.00 0.00 H new ATOM 0 HB THR A 35 -6.230 -4.156 -10.920 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.818 -3.217 -12.626 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.482 -1.802 -11.684 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.671 -1.896 -9.917 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.146 -1.304 -10.619 1.00 0.00 H new ATOM 554 N TYR A 36 -3.819 -6.028 -9.451 1.00 0.00 N ATOM 555 CA TYR A 36 -2.758 -7.024 -9.737 1.00 0.00 C ATOM 556 C TYR A 36 -3.337 -8.335 -10.226 1.00 0.00 C ATOM 557 O TYR A 36 -4.531 -8.566 -10.138 1.00 0.00 O ATOM 558 CB TYR A 36 -1.953 -7.269 -8.447 1.00 0.00 C ATOM 559 CG TYR A 36 -2.849 -7.901 -7.377 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.857 -7.169 -6.775 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.650 -9.209 -6.983 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.647 -7.738 -5.797 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.439 -9.775 -6.006 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.443 -9.046 -5.406 1.00 0.00 C ATOM 565 OH TYR A 36 -5.232 -9.617 -4.429 1.00 0.00 O ATOM 0 H TYR A 36 -4.672 -6.393 -9.027 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.117 -6.630 -10.526 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.107 -7.924 -8.656 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.545 -6.327 -8.080 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.027 -6.145 -7.073 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.868 -9.794 -7.445 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.430 -7.156 -5.334 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.269 -10.799 -5.708 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.949 -10.544 -4.280 1.00 0.00 H new ATOM 575 N GLY A 37 -2.470 -9.161 -10.753 1.00 0.00 N ATOM 576 CA GLY A 37 -2.916 -10.481 -11.272 1.00 0.00 C ATOM 577 C GLY A 37 -1.832 -11.075 -12.173 1.00 0.00 C ATOM 578 O GLY A 37 -0.989 -10.365 -12.683 1.00 0.00 O ATOM 0 H GLY A 37 -1.471 -8.975 -10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.124 -11.157 -10.443 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.845 -10.368 -11.831 1.00 0.00 H new ATOM 582 N GLU A 38 -1.873 -12.365 -12.349 1.00 0.00 N ATOM 583 CA GLU A 38 -0.859 -13.009 -13.206 1.00 0.00 C ATOM 584 C GLU A 38 -0.782 -12.314 -14.561 1.00 0.00 C ATOM 585 O GLU A 38 -1.709 -11.645 -14.971 1.00 0.00 O ATOM 586 CB GLU A 38 -1.276 -14.470 -13.415 1.00 0.00 C ATOM 587 CG GLU A 38 -0.323 -15.382 -12.639 1.00 0.00 C ATOM 588 CD GLU A 38 -0.914 -16.791 -12.572 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.048 -16.882 -12.131 1.00 0.00 O ATOM 590 OE2 GLU A 38 -0.198 -17.696 -12.965 1.00 0.00 O ATOM 0 H GLU A 38 -2.563 -12.993 -11.936 1.00 0.00 H new ATOM 0 HA GLU A 38 0.119 -12.944 -12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.300 -14.620 -13.074 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.253 -14.719 -14.476 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.652 -15.407 -13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.167 -14.992 -11.633 1.00 0.00 H new ATOM 597 N THR A 39 0.323 -12.484 -15.232 1.00 0.00 N ATOM 598 CA THR A 39 0.472 -11.838 -16.556 1.00 0.00 C ATOM 599 C THR A 39 -0.502 -12.433 -17.569 1.00 0.00 C ATOM 600 O THR A 39 -0.302 -13.527 -18.058 1.00 0.00 O ATOM 601 CB THR A 39 1.903 -12.069 -17.049 1.00 0.00 C ATOM 602 OG1 THR A 39 2.716 -11.258 -16.226 1.00 0.00 O ATOM 603 CG2 THR A 39 2.092 -11.497 -18.461 1.00 0.00 C ATOM 0 H THR A 39 1.121 -13.038 -14.920 1.00 0.00 H new ATOM 0 HA THR A 39 0.259 -10.774 -16.456 1.00 0.00 H new ATOM 0 HB THR A 39 2.132 -13.135 -17.034 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.149 -10.674 -15.680 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.116 -11.673 -18.791 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.401 -11.986 -19.147 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.893 -10.425 -18.449 1.00 0.00 H new ATOM 664 N VAL A 45 -6.634 -10.536 -10.960 1.00 0.00 N ATOM 665 CA VAL A 45 -6.915 -11.214 -9.669 1.00 0.00 C ATOM 666 C VAL A 45 -7.865 -10.370 -8.848 1.00 0.00 C ATOM 667 O VAL A 45 -8.927 -10.813 -8.458 1.00 0.00 O ATOM 668 CB VAL A 45 -5.587 -11.382 -8.893 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.855 -11.376 -7.381 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.939 -12.708 -9.283 1.00 0.00 C ATOM 0 HA VAL A 45 -7.366 -12.188 -9.857 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.922 -10.555 -9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.914 -11.495 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.318 -10.431 -7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.524 -12.198 -7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.003 -12.830 -8.738 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.612 -13.529 -9.036 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.738 -12.714 -10.354 1.00 0.00 H new ATOM 680 N GLN A 46 -7.459 -9.167 -8.601 1.00 0.00 N ATOM 681 CA GLN A 46 -8.314 -8.248 -7.802 1.00 0.00 C ATOM 682 C GLN A 46 -7.719 -6.846 -7.792 1.00 0.00 C ATOM 683 O GLN A 46 -6.687 -6.604 -8.383 1.00 0.00 O ATOM 684 CB GLN A 46 -8.392 -8.769 -6.349 1.00 0.00 C ATOM 685 CG GLN A 46 -9.811 -8.536 -5.807 1.00 0.00 C ATOM 686 CD GLN A 46 -9.865 -8.923 -4.327 1.00 0.00 C ATOM 687 OE1 GLN A 46 -9.806 -10.083 -3.975 1.00 0.00 O ATOM 688 NE2 GLN A 46 -9.982 -7.979 -3.429 1.00 0.00 N ATOM 0 H GLN A 46 -6.572 -8.774 -8.916 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.308 -8.211 -8.247 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.147 -9.831 -6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.662 -8.254 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.091 -7.490 -5.930 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.530 -9.127 -6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.032 -7.002 -3.719 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.023 -8.220 -2.439 1.00 0.00 H new ATOM 697 N GLU A 47 -8.382 -5.944 -7.125 1.00 0.00 N ATOM 698 CA GLU A 47 -7.865 -4.558 -7.071 1.00 0.00 C ATOM 699 C GLU A 47 -8.550 -3.764 -5.955 1.00 0.00 C ATOM 700 O GLU A 47 -9.630 -4.109 -5.516 1.00 0.00 O ATOM 701 CB GLU A 47 -8.180 -3.880 -8.412 1.00 0.00 C ATOM 702 CG GLU A 47 -9.696 -3.875 -8.628 1.00 0.00 C ATOM 703 CD GLU A 47 -10.019 -4.469 -9.999 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.633 -3.839 -10.967 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.638 -5.522 -9.998 1.00 0.00 O ATOM 0 H GLU A 47 -9.253 -6.109 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.793 -4.583 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.796 -2.860 -8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.686 -4.410 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.187 -4.453 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.080 -2.857 -8.562 1.00 0.00 H new ATOM 712 N PHE A 48 -7.907 -2.713 -5.520 1.00 0.00 N ATOM 713 CA PHE A 48 -8.499 -1.881 -4.439 1.00 0.00 C ATOM 714 C PHE A 48 -7.870 -0.494 -4.459 1.00 0.00 C ATOM 715 O PHE A 48 -6.780 -0.326 -4.966 1.00 0.00 O ATOM 716 CB PHE A 48 -8.207 -2.551 -3.089 1.00 0.00 C ATOM 717 CG PHE A 48 -6.709 -2.824 -2.970 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.159 -3.974 -3.511 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.882 -1.926 -2.318 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.807 -4.220 -3.399 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.528 -2.176 -2.207 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.993 -3.322 -2.748 1.00 0.00 C ATOM 0 H PHE A 48 -7.001 -2.398 -5.867 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.575 -1.789 -4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.536 -1.908 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.765 -3.483 -3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.793 -4.682 -4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.298 -1.024 -1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.386 -5.120 -3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.889 -1.471 -1.695 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.934 -3.517 -2.662 1.00 0.00 H new ATOM 732 N THR A 49 -8.565 0.480 -3.905 1.00 0.00 N ATOM 733 CA THR A 49 -8.006 1.869 -3.893 1.00 0.00 C ATOM 734 C THR A 49 -7.823 2.401 -2.478 1.00 0.00 C ATOM 735 O THR A 49 -8.297 1.825 -1.521 1.00 0.00 O ATOM 736 CB THR A 49 -8.985 2.787 -4.636 1.00 0.00 C ATOM 737 OG1 THR A 49 -9.126 3.928 -3.813 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.389 2.167 -4.678 1.00 0.00 C ATOM 0 H THR A 49 -9.480 0.372 -3.468 1.00 0.00 H new ATOM 0 HA THR A 49 -7.027 1.847 -4.373 1.00 0.00 H new ATOM 0 HB THR A 49 -8.620 2.977 -5.645 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.744 4.561 -4.235 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.066 2.835 -5.210 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.348 1.207 -5.193 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.751 2.017 -3.661 1.00 0.00 H new ATOM 746 N VAL A 50 -7.124 3.504 -2.386 1.00 0.00 N ATOM 747 CA VAL A 50 -6.877 4.121 -1.061 1.00 0.00 C ATOM 748 C VAL A 50 -6.802 5.655 -1.208 1.00 0.00 C ATOM 749 O VAL A 50 -6.556 6.154 -2.287 1.00 0.00 O ATOM 750 CB VAL A 50 -5.521 3.604 -0.543 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.748 2.376 0.345 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.648 3.211 -1.735 1.00 0.00 C ATOM 0 H VAL A 50 -6.715 4.000 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.682 3.865 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.027 4.385 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.789 2.010 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.379 2.650 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.238 1.593 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.686 2.844 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.145 2.428 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.490 4.081 -2.372 1.00 0.00 H new ATOM 762 N PRO A 51 -7.016 6.390 -0.116 1.00 0.00 N ATOM 763 CA PRO A 51 -6.963 7.855 -0.169 1.00 0.00 C ATOM 764 C PRO A 51 -5.577 8.386 -0.586 1.00 0.00 C ATOM 765 O PRO A 51 -5.290 9.552 -0.412 1.00 0.00 O ATOM 766 CB PRO A 51 -7.267 8.317 1.273 1.00 0.00 C ATOM 767 CG PRO A 51 -7.451 7.040 2.147 1.00 0.00 C ATOM 768 CD PRO A 51 -7.349 5.826 1.210 1.00 0.00 C ATOM 0 HA PRO A 51 -7.669 8.231 -0.910 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.453 8.931 1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.168 8.931 1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.687 6.992 2.923 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.417 7.056 2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.580 5.131 1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.287 5.272 1.179 1.00 0.00 H new ATOM 776 N GLY A 52 -4.746 7.529 -1.129 1.00 0.00 N ATOM 777 CA GLY A 52 -3.388 7.999 -1.553 1.00 0.00 C ATOM 778 C GLY A 52 -2.665 8.683 -0.383 1.00 0.00 C ATOM 779 O GLY A 52 -1.611 9.264 -0.558 1.00 0.00 O ATOM 0 H GLY A 52 -4.943 6.542 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.799 7.154 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.482 8.695 -2.387 1.00 0.00 H new ATOM 783 N SER A 53 -3.249 8.602 0.785 1.00 0.00 N ATOM 784 CA SER A 53 -2.614 9.237 1.964 1.00 0.00 C ATOM 785 C SER A 53 -1.354 8.478 2.358 1.00 0.00 C ATOM 786 O SER A 53 -0.387 9.065 2.804 1.00 0.00 O ATOM 787 CB SER A 53 -3.608 9.188 3.132 1.00 0.00 C ATOM 788 OG SER A 53 -3.994 10.542 3.317 1.00 0.00 O ATOM 0 H SER A 53 -4.132 8.125 0.967 1.00 0.00 H new ATOM 0 HA SER A 53 -2.347 10.266 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.466 8.557 2.899 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.147 8.779 4.031 1.00 0.00 H new ATOM 0 HG SER A 53 -4.638 10.601 4.053 1.00 0.00 H new ATOM 794 N LYS A 54 -1.398 7.180 2.181 1.00 0.00 N ATOM 795 CA LYS A 54 -0.222 6.336 2.530 1.00 0.00 C ATOM 796 C LYS A 54 0.281 5.615 1.291 1.00 0.00 C ATOM 797 O LYS A 54 -0.453 4.879 0.662 1.00 0.00 O ATOM 798 CB LYS A 54 -0.661 5.282 3.568 1.00 0.00 C ATOM 799 CG LYS A 54 -1.163 5.987 4.834 1.00 0.00 C ATOM 800 CD LYS A 54 -1.475 4.935 5.908 1.00 0.00 C ATOM 801 CE LYS A 54 -0.212 4.650 6.728 1.00 0.00 C ATOM 802 NZ LYS A 54 -0.134 5.565 7.904 1.00 0.00 N ATOM 0 H LYS A 54 -2.200 6.672 1.809 1.00 0.00 H new ATOM 0 HA LYS A 54 0.571 6.966 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.449 4.653 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.175 4.626 3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.409 6.685 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.056 6.571 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.272 5.292 6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.832 4.018 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.217 3.614 7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.671 4.777 6.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.728 5.358 8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.107 6.551 7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.968 5.424 8.509 1.00 0.00 H new ATOM 816 N SER A 55 1.519 5.836 0.952 1.00 0.00 N ATOM 817 CA SER A 55 2.063 5.162 -0.247 1.00 0.00 C ATOM 818 C SER A 55 2.447 3.724 0.064 1.00 0.00 C ATOM 819 O SER A 55 3.516 3.272 -0.296 1.00 0.00 O ATOM 820 CB SER A 55 3.313 5.917 -0.709 1.00 0.00 C ATOM 821 OG SER A 55 2.931 7.284 -0.659 1.00 0.00 O ATOM 0 H SER A 55 2.167 6.447 1.449 1.00 0.00 H new ATOM 0 HA SER A 55 1.299 5.159 -1.025 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.163 5.717 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.607 5.622 -1.716 1.00 0.00 H new ATOM 0 HG SER A 55 3.684 7.845 -0.941 1.00 0.00 H new ATOM 827 N THR A 56 1.565 3.031 0.731 1.00 0.00 N ATOM 828 CA THR A 56 1.850 1.619 1.078 1.00 0.00 C ATOM 829 C THR A 56 0.594 0.776 0.938 1.00 0.00 C ATOM 830 O THR A 56 -0.505 1.268 1.097 1.00 0.00 O ATOM 831 CB THR A 56 2.318 1.558 2.537 1.00 0.00 C ATOM 832 OG1 THR A 56 1.736 2.682 3.164 1.00 0.00 O ATOM 833 CG2 THR A 56 3.831 1.797 2.643 1.00 0.00 C ATOM 0 H THR A 56 0.662 3.385 1.048 1.00 0.00 H new ATOM 0 HA THR A 56 2.617 1.234 0.406 1.00 0.00 H new ATOM 0 HB THR A 56 2.056 0.590 2.965 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.997 2.701 4.108 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.135 1.748 3.689 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.361 1.032 2.075 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.073 2.781 2.241 1.00 0.00 H new ATOM 841 N ALA A 57 0.772 -0.481 0.641 1.00 0.00 N ATOM 842 CA ALA A 57 -0.411 -1.363 0.489 1.00 0.00 C ATOM 843 C ALA A 57 -0.039 -2.812 0.753 1.00 0.00 C ATOM 844 O ALA A 57 1.115 -3.180 0.669 1.00 0.00 O ATOM 845 CB ALA A 57 -0.934 -1.243 -0.950 1.00 0.00 C ATOM 0 H ALA A 57 1.677 -0.929 0.499 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.173 -1.058 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.804 -1.887 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.216 -0.209 -1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.154 -1.548 -1.647 1.00 0.00 H new ATOM 851 N THR A 58 -1.031 -3.607 1.064 1.00 0.00 N ATOM 852 CA THR A 58 -0.768 -5.042 1.341 1.00 0.00 C ATOM 853 C THR A 58 -1.761 -5.925 0.596 1.00 0.00 C ATOM 854 O THR A 58 -2.890 -5.539 0.367 1.00 0.00 O ATOM 855 CB THR A 58 -0.908 -5.272 2.861 1.00 0.00 C ATOM 856 OG1 THR A 58 0.012 -6.299 3.171 1.00 0.00 O ATOM 857 CG2 THR A 58 -2.283 -5.866 3.228 1.00 0.00 C ATOM 0 H THR A 58 -2.007 -3.321 1.137 1.00 0.00 H new ATOM 0 HA THR A 58 0.236 -5.301 1.004 1.00 0.00 H new ATOM 0 HB THR A 58 -0.760 -4.325 3.380 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.026 -6.494 4.131 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.340 -6.012 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.071 -5.182 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.411 -6.824 2.725 1.00 0.00 H new ATOM 865 N ILE A 59 -1.316 -7.093 0.232 1.00 0.00 N ATOM 866 CA ILE A 59 -2.202 -8.031 -0.499 1.00 0.00 C ATOM 867 C ILE A 59 -2.008 -9.439 0.039 1.00 0.00 C ATOM 868 O ILE A 59 -0.924 -9.793 0.443 1.00 0.00 O ATOM 869 CB ILE A 59 -1.810 -7.992 -1.977 1.00 0.00 C ATOM 870 CG1 ILE A 59 -2.503 -6.821 -2.660 1.00 0.00 C ATOM 871 CG2 ILE A 59 -2.267 -9.293 -2.655 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.576 -6.253 -3.733 1.00 0.00 C ATOM 0 H ILE A 59 -0.373 -7.438 0.411 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.246 -7.745 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.729 -7.882 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.442 -7.148 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.750 -6.051 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.990 -9.271 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.786 -10.144 -2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.349 -9.389 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.064 -5.413 -4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.649 -5.913 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.352 -7.027 -4.467 1.00 0.00 H new ATOM 884 N SER A 60 -3.062 -10.218 0.041 1.00 0.00 N ATOM 885 CA SER A 60 -2.939 -11.611 0.557 1.00 0.00 C ATOM 886 C SER A 60 -3.722 -12.591 -0.308 1.00 0.00 C ATOM 887 O SER A 60 -4.666 -12.218 -0.976 1.00 0.00 O ATOM 888 CB SER A 60 -3.517 -11.646 1.981 1.00 0.00 C ATOM 889 OG SER A 60 -2.516 -11.029 2.777 1.00 0.00 O ATOM 0 H SER A 60 -3.990 -9.952 -0.288 1.00 0.00 H new ATOM 0 HA SER A 60 -1.888 -11.901 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.462 -11.107 2.041 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.712 -12.668 2.307 1.00 0.00 H new ATOM 0 HG SER A 60 -1.910 -11.714 3.129 1.00 0.00 H new ATOM 895 N GLY A 61 -3.314 -13.834 -0.281 1.00 0.00 N ATOM 896 CA GLY A 61 -4.024 -14.862 -1.098 1.00 0.00 C ATOM 897 C GLY A 61 -3.294 -15.107 -2.426 1.00 0.00 C ATOM 898 O GLY A 61 -3.801 -15.787 -3.295 1.00 0.00 O ATOM 0 H GLY A 61 -2.526 -14.179 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.091 -15.795 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.045 -14.534 -1.295 1.00 0.00 H new ATOM 902 N LEU A 62 -2.124 -14.546 -2.557 1.00 0.00 N ATOM 903 CA LEU A 62 -1.360 -14.740 -3.815 1.00 0.00 C ATOM 904 C LEU A 62 -0.607 -16.076 -3.796 1.00 0.00 C ATOM 905 O LEU A 62 -0.985 -16.992 -3.092 1.00 0.00 O ATOM 906 CB LEU A 62 -0.347 -13.586 -3.946 1.00 0.00 C ATOM 907 CG LEU A 62 0.559 -13.559 -2.709 1.00 0.00 C ATOM 908 CD1 LEU A 62 2.021 -13.636 -3.152 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.330 -12.252 -1.954 1.00 0.00 C ATOM 0 H LEU A 62 -1.669 -13.966 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.050 -14.749 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.253 -13.715 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.872 -12.636 -4.046 1.00 0.00 H new ATOM 0 HG LEU A 62 0.328 -14.406 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.668 -13.617 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.186 -14.561 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.252 -12.785 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.970 -12.224 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.570 -11.410 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.714 -12.188 -1.646 1.00 0.00 H new ATOM 921 N LYS A 63 0.443 -16.160 -4.569 1.00 0.00 N ATOM 922 CA LYS A 63 1.227 -17.421 -4.609 1.00 0.00 C ATOM 923 C LYS A 63 2.626 -17.177 -5.249 1.00 0.00 C ATOM 924 O LYS A 63 2.726 -17.054 -6.453 1.00 0.00 O ATOM 925 CB LYS A 63 0.463 -18.433 -5.492 1.00 0.00 C ATOM 926 CG LYS A 63 -0.009 -17.740 -6.794 1.00 0.00 C ATOM 927 CD LYS A 63 -1.545 -17.591 -6.798 1.00 0.00 C ATOM 928 CE LYS A 63 -2.183 -18.892 -7.302 1.00 0.00 C ATOM 929 NZ LYS A 63 -1.748 -20.052 -6.475 1.00 0.00 N ATOM 0 H LYS A 63 0.788 -15.412 -5.171 1.00 0.00 H new ATOM 0 HA LYS A 63 1.359 -17.794 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.107 -19.279 -5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.395 -18.829 -4.948 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.458 -16.759 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.308 -18.322 -7.659 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.902 -17.364 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.839 -16.758 -7.437 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.269 -18.805 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.906 -19.058 -8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.305 -20.891 -6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.739 -20.240 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.896 -19.836 -5.469 1.00 0.00 H new ATOM 943 N PRO A 64 3.698 -17.109 -4.439 1.00 0.00 N ATOM 944 CA PRO A 64 5.030 -16.880 -4.994 1.00 0.00 C ATOM 945 C PRO A 64 5.437 -17.990 -5.953 1.00 0.00 C ATOM 946 O PRO A 64 4.908 -19.083 -5.905 1.00 0.00 O ATOM 947 CB PRO A 64 5.981 -16.867 -3.779 1.00 0.00 C ATOM 948 CG PRO A 64 5.099 -16.987 -2.501 1.00 0.00 C ATOM 949 CD PRO A 64 3.657 -17.252 -2.969 1.00 0.00 C ATOM 0 HA PRO A 64 5.060 -15.951 -5.563 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.689 -17.693 -3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.565 -15.947 -3.758 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.452 -17.798 -1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.150 -16.072 -1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.325 -18.249 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.961 -16.542 -2.523 1.00 0.00 H new ATOM 957 N GLY A 65 6.375 -17.684 -6.809 1.00 0.00 N ATOM 958 CA GLY A 65 6.838 -18.703 -7.787 1.00 0.00 C ATOM 959 C GLY A 65 6.139 -18.500 -9.131 1.00 0.00 C ATOM 960 O GLY A 65 5.827 -19.453 -9.819 1.00 0.00 O ATOM 0 H GLY A 65 6.837 -16.777 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.918 -18.630 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.629 -19.703 -7.408 1.00 0.00 H new ATOM 964 N VAL A 66 5.904 -17.261 -9.483 1.00 0.00 N ATOM 965 CA VAL A 66 5.229 -17.000 -10.777 1.00 0.00 C ATOM 966 C VAL A 66 5.354 -15.535 -11.202 1.00 0.00 C ATOM 967 O VAL A 66 5.525 -14.648 -10.383 1.00 0.00 O ATOM 968 CB VAL A 66 3.737 -17.346 -10.623 1.00 0.00 C ATOM 969 CG1 VAL A 66 3.009 -16.174 -9.962 1.00 0.00 C ATOM 970 CG2 VAL A 66 3.135 -17.596 -12.008 1.00 0.00 C ATOM 0 H VAL A 66 6.148 -16.435 -8.936 1.00 0.00 H new ATOM 0 HA VAL A 66 5.705 -17.613 -11.543 1.00 0.00 H new ATOM 0 HB VAL A 66 3.629 -18.238 -10.006 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.952 -16.417 -9.852 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.442 -15.984 -8.980 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.114 -15.284 -10.583 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.078 -17.842 -11.906 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.242 -16.699 -12.618 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.656 -18.425 -12.487 1.00 0.00 H new ATOM 980 N ASP A 67 5.268 -15.324 -12.488 1.00 0.00 N ATOM 981 CA ASP A 67 5.372 -13.951 -13.032 1.00 0.00 C ATOM 982 C ASP A 67 4.114 -13.156 -12.711 1.00 0.00 C ATOM 983 O ASP A 67 3.044 -13.460 -13.204 1.00 0.00 O ATOM 984 CB ASP A 67 5.520 -14.055 -14.560 1.00 0.00 C ATOM 985 CG ASP A 67 5.437 -12.658 -15.179 1.00 0.00 C ATOM 986 OD1 ASP A 67 5.892 -11.743 -14.513 1.00 0.00 O ATOM 987 OD2 ASP A 67 4.924 -12.587 -16.284 1.00 0.00 O ATOM 0 H ASP A 67 5.129 -16.054 -13.186 1.00 0.00 H new ATOM 0 HA ASP A 67 6.229 -13.445 -12.588 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.473 -14.520 -14.813 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.736 -14.692 -14.969 1.00 0.00 H new ATOM 992 N TYR A 68 4.269 -12.148 -11.890 1.00 0.00 N ATOM 993 CA TYR A 68 3.101 -11.313 -11.516 1.00 0.00 C ATOM 994 C TYR A 68 3.172 -9.941 -12.170 1.00 0.00 C ATOM 995 O TYR A 68 4.245 -9.415 -12.392 1.00 0.00 O ATOM 996 CB TYR A 68 3.132 -11.119 -9.996 1.00 0.00 C ATOM 997 CG TYR A 68 2.023 -11.948 -9.352 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.703 -11.559 -9.463 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.327 -13.089 -8.642 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.296 -12.303 -8.872 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.328 -13.834 -8.051 1.00 0.00 C ATOM 1002 CZ TYR A 68 0.008 -13.446 -8.162 1.00 0.00 C ATOM 1003 OH TYR A 68 -0.991 -14.188 -7.568 1.00 0.00 O ATOM 0 H TYR A 68 5.155 -11.872 -11.466 1.00 0.00 H new ATOM 0 HA TYR A 68 2.189 -11.810 -11.847 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.102 -11.420 -9.600 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.001 -10.065 -9.751 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.451 -10.666 -10.016 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.356 -13.403 -8.547 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.325 -11.988 -8.966 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.580 -14.727 -7.498 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.818 -14.098 -8.087 1.00 0.00 H new ATOM 1013 N THR A 69 2.020 -9.392 -12.466 1.00 0.00 N ATOM 1014 CA THR A 69 1.974 -8.051 -13.107 1.00 0.00 C ATOM 1015 C THR A 69 1.150 -7.104 -12.254 1.00 0.00 C ATOM 1016 O THR A 69 0.133 -7.493 -11.707 1.00 0.00 O ATOM 1017 CB THR A 69 1.306 -8.190 -14.478 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.916 -9.313 -15.081 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.682 -7.010 -15.391 1.00 0.00 C ATOM 0 H THR A 69 1.111 -9.819 -12.289 1.00 0.00 H new ATOM 0 HA THR A 69 2.985 -7.658 -13.211 1.00 0.00 H new ATOM 0 HB THR A 69 0.225 -8.251 -14.357 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.530 -9.014 -15.784 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.196 -7.130 -16.359 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.354 -6.077 -14.933 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.763 -6.986 -15.528 1.00 0.00 H new ATOM 1027 N ILE A 70 1.601 -5.876 -12.147 1.00 0.00 N ATOM 1028 CA ILE A 70 0.851 -4.886 -11.327 1.00 0.00 C ATOM 1029 C ILE A 70 0.634 -3.585 -12.088 1.00 0.00 C ATOM 1030 O ILE A 70 1.442 -3.195 -12.909 1.00 0.00 O ATOM 1031 CB ILE A 70 1.667 -4.591 -10.069 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.127 -3.342 -9.386 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.132 -4.342 -10.477 1.00 0.00 C ATOM 1034 CD1 ILE A 70 1.528 -3.365 -7.908 1.00 0.00 C ATOM 0 H ILE A 70 2.449 -5.524 -12.590 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.125 -5.303 -11.079 1.00 0.00 H new ATOM 0 HB ILE A 70 1.601 -5.436 -9.384 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.523 -2.449 -9.869 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.042 -3.301 -9.480 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.726 -4.130 -9.588 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.527 -5.228 -10.975 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.181 -3.492 -11.157 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.144 -2.473 -7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.111 -4.252 -7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.615 -3.386 -7.826 1.00 0.00 H new ATOM 1046 N THR A 71 -0.464 -2.941 -11.797 1.00 0.00 N ATOM 1047 CA THR A 71 -0.776 -1.664 -12.477 1.00 0.00 C ATOM 1048 C THR A 71 -1.384 -0.676 -11.490 1.00 0.00 C ATOM 1049 O THR A 71 -2.356 -0.987 -10.830 1.00 0.00 O ATOM 1050 CB THR A 71 -1.789 -1.947 -13.589 1.00 0.00 C ATOM 1051 OG1 THR A 71 -1.120 -2.799 -14.499 1.00 0.00 O ATOM 1052 CG2 THR A 71 -2.084 -0.677 -14.396 1.00 0.00 C ATOM 0 H THR A 71 -1.157 -3.250 -11.115 1.00 0.00 H new ATOM 0 HA THR A 71 0.138 -1.235 -12.887 1.00 0.00 H new ATOM 0 HB THR A 71 -2.707 -2.347 -13.158 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.720 -3.021 -15.241 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.806 -0.904 -15.180 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.494 0.087 -13.735 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.162 -0.310 -14.847 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.796 0.500 -11.409 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.328 1.532 -10.461 1.00 0.00 C ATOM 1062 C VAL A 72 -1.803 2.769 -11.207 1.00 0.00 C ATOM 1063 O VAL A 72 -1.090 3.316 -12.034 1.00 0.00 O ATOM 1064 CB VAL A 72 -0.199 1.935 -9.490 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.300 0.686 -8.765 1.00 0.00 C ATOM 1066 CG2 VAL A 72 0.952 2.551 -10.281 1.00 0.00 C ATOM 0 H VAL A 72 0.019 0.785 -11.952 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.175 1.109 -9.921 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.574 2.660 -8.767 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.099 0.960 -8.076 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.522 0.236 -8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.679 -0.030 -9.494 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.751 2.837 -9.597 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.331 1.823 -10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.597 3.434 -10.813 1.00 0.00 H new ATOM 1076 N TYR A 73 -3.008 3.184 -10.898 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.575 4.381 -11.565 1.00 0.00 C ATOM 1078 C TYR A 73 -3.620 5.561 -10.602 1.00 0.00 C ATOM 1079 O TYR A 73 -4.430 5.594 -9.694 1.00 0.00 O ATOM 1080 CB TYR A 73 -5.012 4.053 -12.006 1.00 0.00 C ATOM 1081 CG TYR A 73 -5.011 3.639 -13.477 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.432 2.449 -13.869 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.580 4.453 -14.435 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.424 2.079 -15.199 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.571 4.083 -15.764 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.991 2.894 -16.156 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.975 2.528 -17.488 1.00 0.00 O ATOM 0 H TYR A 73 -3.618 2.740 -10.211 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.951 4.645 -12.419 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.418 3.250 -11.391 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.655 4.921 -11.862 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.982 1.803 -13.130 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.036 5.387 -14.142 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.970 1.144 -15.492 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.021 4.729 -16.503 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.419 3.219 -18.022 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.744 6.501 -10.812 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.718 7.686 -9.921 1.00 0.00 C ATOM 1099 C ALA A 74 -3.785 8.689 -10.348 1.00 0.00 C ATOM 1100 O ALA A 74 -3.651 9.339 -11.361 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.337 8.350 -10.042 1.00 0.00 C ATOM 0 H ALA A 74 -2.049 6.499 -11.559 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.912 7.375 -8.894 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.296 9.225 -9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.565 7.641 -9.743 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.169 8.655 -11.075 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.828 8.796 -9.565 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.915 9.754 -9.916 1.00 0.00 C ATOM 1109 C VAL A 75 -5.798 11.041 -9.109 1.00 0.00 C ATOM 1110 O VAL A 75 -5.963 11.039 -7.902 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.263 9.084 -9.603 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.368 9.762 -10.419 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.187 7.607 -9.996 1.00 0.00 C ATOM 0 H VAL A 75 -4.972 8.266 -8.706 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.838 10.009 -10.973 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.483 9.177 -8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.325 9.289 -10.199 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.417 10.819 -10.157 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.149 9.661 -11.482 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.139 7.123 -9.778 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.974 7.525 -11.062 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.394 7.120 -9.429 1.00 0.00 H new ATOM 1123 N THR A 76 -5.513 12.123 -9.802 1.00 0.00 N ATOM 1124 CA THR A 76 -5.375 13.438 -9.116 1.00 0.00 C ATOM 1125 C THR A 76 -6.241 14.487 -9.793 1.00 0.00 C ATOM 1126 O THR A 76 -7.052 15.136 -9.162 1.00 0.00 O ATOM 1127 CB THR A 76 -3.910 13.884 -9.204 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.252 13.230 -8.138 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.778 15.380 -8.881 1.00 0.00 C ATOM 0 H THR A 76 -5.371 12.145 -10.812 1.00 0.00 H new ATOM 0 HA THR A 76 -5.690 13.332 -8.078 1.00 0.00 H new ATOM 0 HB THR A 76 -3.518 13.670 -10.198 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.303 13.474 -8.140 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.731 15.676 -8.949 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.366 15.959 -9.593 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.143 15.568 -7.871 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.936 6.768 -15.498 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.004 5.386 -15.043 1.00 0.00 C ATOM 1268 C PRO A 87 0.151 4.582 -15.615 1.00 0.00 C ATOM 1269 O PRO A 87 0.624 4.866 -16.697 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.344 4.853 -15.590 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.091 6.062 -16.235 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.105 7.244 -16.253 1.00 0.00 C ATOM 0 HA PRO A 87 -0.940 5.309 -13.958 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.174 4.068 -16.327 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.940 4.415 -14.789 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.419 5.818 -17.246 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.984 6.313 -15.662 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.833 7.517 -17.273 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.541 8.130 -15.791 1.00 0.00 H new ATOM 1280 N ILE A 88 0.594 3.593 -14.888 1.00 0.00 N ATOM 1281 CA ILE A 88 1.720 2.784 -15.407 1.00 0.00 C ATOM 1282 C ILE A 88 1.648 1.354 -14.902 1.00 0.00 C ATOM 1283 O ILE A 88 0.978 1.066 -13.928 1.00 0.00 O ATOM 1284 CB ILE A 88 3.031 3.436 -14.936 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.150 3.117 -15.917 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.416 2.872 -13.554 1.00 0.00 C ATOM 1287 CD1 ILE A 88 4.255 4.251 -16.941 1.00 0.00 C ATOM 0 H ILE A 88 0.230 3.318 -13.976 1.00 0.00 H new ATOM 0 HA ILE A 88 1.671 2.753 -16.495 1.00 0.00 H new ATOM 0 HB ILE A 88 2.888 4.515 -14.877 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.095 3.001 -15.386 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.950 2.172 -16.422 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.345 3.333 -13.219 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.624 3.091 -12.838 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.552 1.793 -13.626 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.055 4.030 -17.648 1.00 0.00 H new ATOM 0 HD12 ILE A 88 3.311 4.344 -17.478 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.474 5.187 -16.427 1.00 0.00 H new ATOM 1299 N SER A 89 2.342 0.482 -15.575 1.00 0.00 N ATOM 1300 CA SER A 89 2.335 -0.935 -15.161 1.00 0.00 C ATOM 1301 C SER A 89 3.706 -1.564 -15.379 1.00 0.00 C ATOM 1302 O SER A 89 4.428 -1.189 -16.282 1.00 0.00 O ATOM 1303 CB SER A 89 1.304 -1.679 -16.024 1.00 0.00 C ATOM 1304 OG SER A 89 1.729 -1.433 -17.358 1.00 0.00 O ATOM 0 H SER A 89 2.912 0.695 -16.393 1.00 0.00 H new ATOM 0 HA SER A 89 2.084 -1.003 -14.102 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.291 -2.746 -15.800 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.295 -1.305 -15.851 1.00 0.00 H new ATOM 0 HG SER A 89 1.120 -1.879 -17.983 1.00 0.00 H new ATOM 1310 N ILE A 90 4.043 -2.512 -14.549 1.00 0.00 N ATOM 1311 CA ILE A 90 5.363 -3.172 -14.697 1.00 0.00 C ATOM 1312 C ILE A 90 5.287 -4.634 -14.290 1.00 0.00 C ATOM 1313 O ILE A 90 4.543 -5.000 -13.399 1.00 0.00 O ATOM 1314 CB ILE A 90 6.370 -2.464 -13.786 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.644 -1.847 -12.589 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.042 -1.335 -14.590 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.625 -1.676 -11.420 1.00 0.00 C ATOM 0 H ILE A 90 3.464 -2.854 -13.782 1.00 0.00 H new ATOM 0 HA ILE A 90 5.669 -3.112 -15.741 1.00 0.00 H new ATOM 0 HB ILE A 90 7.110 -3.181 -13.430 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.222 -0.881 -12.866 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.812 -2.484 -12.288 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.764 -0.818 -13.958 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.554 -1.759 -15.454 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.284 -0.628 -14.928 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.104 -1.236 -10.569 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.026 -2.649 -11.136 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.442 -1.021 -11.723 1.00 0.00 H new ATOM 1329 N ASN A 91 6.057 -5.446 -14.957 1.00 0.00 N ATOM 1330 CA ASN A 91 6.052 -6.886 -14.632 1.00 0.00 C ATOM 1331 C ASN A 91 7.080 -7.190 -13.553 1.00 0.00 C ATOM 1332 O ASN A 91 7.999 -6.424 -13.340 1.00 0.00 O ATOM 1333 CB ASN A 91 6.425 -7.664 -15.897 1.00 0.00 C ATOM 1334 CG ASN A 91 7.520 -8.676 -15.560 1.00 0.00 C ATOM 1335 OD1 ASN A 91 8.766 -8.283 -15.563 1.00 0.00 O flip ATOM 1336 ND2 ASN A 91 7.254 -9.829 -15.290 1.00 0.00 N flip ATOM 0 H ASN A 91 6.686 -5.170 -15.711 1.00 0.00 H new ATOM 0 HA ASN A 91 5.064 -7.172 -14.271 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.549 -8.177 -16.295 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.772 -6.979 -16.671 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.283 -10.141 -15.286 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.002 -10.486 -15.067 1.00 0.00 H new ATOM 1343 N TYR A 92 6.913 -8.303 -12.896 1.00 0.00 N ATOM 1344 CA TYR A 92 7.874 -8.666 -11.830 1.00 0.00 C ATOM 1345 C TYR A 92 7.621 -10.080 -11.326 1.00 0.00 C ATOM 1346 O TYR A 92 6.489 -10.497 -11.178 1.00 0.00 O ATOM 1347 CB TYR A 92 7.694 -7.688 -10.658 1.00 0.00 C ATOM 1348 CG TYR A 92 8.777 -7.955 -9.618 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.018 -7.370 -9.736 1.00 0.00 C ATOM 1350 CD2 TYR A 92 8.531 -8.798 -8.554 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.003 -7.625 -8.805 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.515 -9.052 -7.622 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.758 -8.469 -7.741 1.00 0.00 C ATOM 1354 OH TYR A 92 11.748 -8.733 -6.815 1.00 0.00 O ATOM 0 H TYR A 92 6.157 -8.970 -13.052 1.00 0.00 H new ATOM 0 HA TYR A 92 8.885 -8.615 -12.235 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.758 -6.659 -11.013 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.706 -7.811 -10.213 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.221 -6.707 -10.564 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.561 -9.262 -8.450 1.00 0.00 H new ATOM 0 HE1 TYR A 92 11.973 -7.161 -8.909 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.310 -9.713 -6.793 1.00 0.00 H new ATOM 0 HH TYR A 92 11.403 -9.346 -6.133 1.00 0.00 H new ATOM 1364 N ARG A 93 8.683 -10.794 -11.069 1.00 0.00 N ATOM 1365 CA ARG A 93 8.528 -12.181 -10.572 1.00 0.00 C ATOM 1366 C ARG A 93 8.403 -12.190 -9.057 1.00 0.00 C ATOM 1367 O ARG A 93 9.347 -11.875 -8.358 1.00 0.00 O ATOM 1368 CB ARG A 93 9.775 -12.984 -10.981 1.00 0.00 C ATOM 1369 CG ARG A 93 9.545 -14.468 -10.668 1.00 0.00 C ATOM 1370 CD ARG A 93 10.757 -15.289 -11.137 1.00 0.00 C ATOM 1371 NE ARG A 93 10.270 -16.563 -11.741 1.00 0.00 N ATOM 1372 CZ ARG A 93 11.131 -17.477 -12.101 1.00 0.00 C ATOM 1373 NH1 ARG A 93 11.610 -18.282 -11.193 1.00 0.00 N ATOM 1374 NH2 ARG A 93 11.484 -17.555 -13.355 1.00 0.00 N ATOM 0 H ARG A 93 9.645 -10.475 -11.183 1.00 0.00 H new ATOM 0 HA ARG A 93 7.628 -12.622 -10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.975 -12.851 -12.044 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.650 -12.618 -10.444 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.393 -14.605 -9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.641 -14.819 -11.166 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.337 -14.723 -11.866 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.419 -15.499 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 93 9.271 -16.720 -11.872 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.311 -18.191 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.283 -19.002 -11.454 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.089 -16.908 -14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.155 -18.263 -13.653 1.00 0.00 H new ATOM 1388 N THR A 94 7.232 -12.556 -8.577 1.00 0.00 N ATOM 1389 CA THR A 94 7.018 -12.593 -7.093 1.00 0.00 C ATOM 1390 C THR A 94 6.631 -13.989 -6.638 1.00 0.00 C ATOM 1391 O THR A 94 6.393 -14.798 -7.518 1.00 0.00 O ATOM 1392 CB THR A 94 5.880 -11.622 -6.731 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.616 -10.895 -7.912 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.358 -10.557 -5.720 1.00 0.00 C ATOM 1395 OXT THR A 94 6.595 -14.172 -5.433 1.00 0.00 O ATOM 0 H THR A 94 6.427 -12.827 -9.142 1.00 0.00 H new ATOM 0 HA THR A 94 7.946 -12.306 -6.598 1.00 0.00 H new ATOM 0 HB THR A 94 5.038 -12.182 -6.324 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.893 -10.254 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.533 -9.885 -5.482 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.700 -11.048 -4.809 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.178 -9.986 -6.154 1.00 0.00 H new