USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 482 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 31:sc= 0.43 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -32:sc= -2.67! USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 15 SER OG : rot 180:sc= -0.747 USER MOD Single : A 16 TYR OH : rot 40:sc= -1.86 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.821 K(o=-0.82,f=-0.29) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -12:sc= -5.46! USER MOD Single : A 53 MET CE :methyl -107:sc= -0.221 (180deg=-3!) USER MOD Single : A 56 SER OG : rot 178:sc= 0.401 USER MOD Single : A 57 ASN : amide:sc= -0.0873 K(o=-0.087,f=-1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.342 -24.900 0.686 1.00 0.00 N ATOM 2 CA GLY A 1 -18.402 -23.980 1.302 1.00 0.00 C ATOM 3 C GLY A 1 -17.771 -23.059 0.256 1.00 0.00 C ATOM 4 O GLY A 1 -16.898 -23.480 -0.501 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.756 -25.514 1.416 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.098 -24.361 0.217 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.846 -25.484 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.914 -23.383 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.622 -24.541 1.816 1.00 0.00 H new ATOM 8 N SER A 2 -18.237 -21.818 0.248 1.00 0.00 N ATOM 9 CA SER A 2 -17.729 -20.834 -0.692 1.00 0.00 C ATOM 10 C SER A 2 -17.733 -19.446 -0.050 1.00 0.00 C ATOM 11 O SER A 2 -18.650 -19.106 0.697 1.00 0.00 O ATOM 12 CB SER A 2 -18.556 -20.825 -1.980 1.00 0.00 C ATOM 13 OG SER A 2 -19.938 -20.594 -1.725 1.00 0.00 O ATOM 0 H SER A 2 -18.961 -21.472 0.878 1.00 0.00 H new ATOM 0 HA SER A 2 -16.705 -21.105 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.177 -20.053 -2.649 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.437 -21.779 -2.494 1.00 0.00 H new ATOM 0 HG SER A 2 -20.431 -20.594 -2.572 1.00 0.00 H new ATOM 19 N SER A 3 -16.697 -18.681 -0.363 1.00 0.00 N ATOM 20 CA SER A 3 -16.570 -17.337 0.175 1.00 0.00 C ATOM 21 C SER A 3 -15.981 -16.403 -0.884 1.00 0.00 C ATOM 22 O SER A 3 -15.432 -16.862 -1.885 1.00 0.00 O ATOM 23 CB SER A 3 -15.699 -17.328 1.433 1.00 0.00 C ATOM 24 OG SER A 3 -16.461 -17.061 2.608 1.00 0.00 O ATOM 0 H SER A 3 -15.938 -18.966 -0.982 1.00 0.00 H new ATOM 0 HA SER A 3 -17.564 -16.983 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.200 -18.292 1.536 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.918 -16.575 1.328 1.00 0.00 H new ATOM 0 HG SER A 3 -15.870 -17.065 3.389 1.00 0.00 H new ATOM 30 N GLY A 4 -16.116 -15.110 -0.628 1.00 0.00 N ATOM 31 CA GLY A 4 -15.604 -14.108 -1.548 1.00 0.00 C ATOM 32 C GLY A 4 -14.547 -13.233 -0.872 1.00 0.00 C ATOM 33 O GLY A 4 -14.877 -12.367 -0.063 1.00 0.00 O ATOM 0 H GLY A 4 -16.572 -14.733 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.172 -14.597 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.424 -13.484 -1.905 1.00 0.00 H new ATOM 37 N SER A 5 -13.297 -13.489 -1.228 1.00 0.00 N ATOM 38 CA SER A 5 -12.189 -12.736 -0.666 1.00 0.00 C ATOM 39 C SER A 5 -11.726 -11.667 -1.658 1.00 0.00 C ATOM 40 O SER A 5 -11.335 -11.984 -2.780 1.00 0.00 O ATOM 41 CB SER A 5 -11.025 -13.659 -0.299 1.00 0.00 C ATOM 42 OG SER A 5 -10.490 -14.322 -1.441 1.00 0.00 O ATOM 0 H SER A 5 -13.027 -14.208 -1.899 1.00 0.00 H new ATOM 0 HA SER A 5 -12.534 -12.251 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.240 -13.078 0.184 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.364 -14.400 0.425 1.00 0.00 H new ATOM 0 HG SER A 5 -10.592 -13.749 -2.229 1.00 0.00 H new ATOM 48 N SER A 6 -11.787 -10.422 -1.208 1.00 0.00 N ATOM 49 CA SER A 6 -11.379 -9.304 -2.042 1.00 0.00 C ATOM 50 C SER A 6 -11.361 -8.015 -1.217 1.00 0.00 C ATOM 51 O SER A 6 -12.381 -7.621 -0.653 1.00 0.00 O ATOM 52 CB SER A 6 -12.308 -9.150 -3.248 1.00 0.00 C ATOM 53 OG SER A 6 -11.615 -9.325 -4.481 1.00 0.00 O ATOM 0 H SER A 6 -12.113 -10.163 -0.277 1.00 0.00 H new ATOM 0 HA SER A 6 -10.374 -9.503 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.115 -9.879 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.768 -8.162 -3.228 1.00 0.00 H new ATOM 0 HG SER A 6 -12.242 -9.221 -5.227 1.00 0.00 H new ATOM 59 N GLY A 7 -10.191 -7.395 -1.174 1.00 0.00 N ATOM 60 CA GLY A 7 -10.027 -6.159 -0.428 1.00 0.00 C ATOM 61 C GLY A 7 -9.096 -6.361 0.770 1.00 0.00 C ATOM 62 O GLY A 7 -9.452 -7.042 1.730 1.00 0.00 O ATOM 0 H GLY A 7 -9.348 -7.725 -1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.622 -5.387 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.999 -5.807 -0.083 1.00 0.00 H new ATOM 66 N ARG A 8 -7.921 -5.757 0.673 1.00 0.00 N ATOM 67 CA ARG A 8 -6.936 -5.862 1.736 1.00 0.00 C ATOM 68 C ARG A 8 -6.460 -4.470 2.158 1.00 0.00 C ATOM 69 O ARG A 8 -6.451 -3.542 1.350 1.00 0.00 O ATOM 70 CB ARG A 8 -5.730 -6.692 1.291 1.00 0.00 C ATOM 71 CG ARG A 8 -5.933 -8.173 1.620 1.00 0.00 C ATOM 72 CD ARG A 8 -4.706 -8.749 2.330 1.00 0.00 C ATOM 73 NE ARG A 8 -5.120 -9.814 3.270 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.272 -10.503 4.046 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.958 -10.242 3.998 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.737 -11.452 4.869 1.00 0.00 N ATOM 0 H ARG A 8 -7.629 -5.193 -0.125 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.413 -6.359 2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.577 -6.572 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.830 -6.326 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.813 -8.292 2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.122 -8.731 0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.007 -9.151 1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.183 -7.959 2.869 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.113 -10.038 3.331 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.604 -9.519 3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.312 -10.766 4.588 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.737 -11.650 4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.091 -11.976 5.459 1.00 0.00 H new ATOM 90 N ARG A 9 -6.075 -4.369 3.422 1.00 0.00 N ATOM 91 CA ARG A 9 -5.599 -3.106 3.960 1.00 0.00 C ATOM 92 C ARG A 9 -4.218 -3.286 4.594 1.00 0.00 C ATOM 93 O ARG A 9 -3.934 -4.327 5.186 1.00 0.00 O ATOM 94 CB ARG A 9 -6.567 -2.555 5.010 1.00 0.00 C ATOM 95 CG ARG A 9 -7.425 -1.430 4.427 1.00 0.00 C ATOM 96 CD ARG A 9 -8.393 -0.879 5.476 1.00 0.00 C ATOM 97 NE ARG A 9 -9.614 -0.364 4.817 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.796 -0.223 5.432 1.00 0.00 C ATOM 99 NH1 ARG A 9 -10.925 -0.557 6.723 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.850 0.253 4.755 1.00 0.00 N ATOM 0 H ARG A 9 -6.083 -5.141 4.089 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.534 -2.397 3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.210 -3.357 5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.006 -2.183 5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.782 -0.628 4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.986 -1.802 3.570 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.656 -1.662 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.912 -0.082 6.043 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.552 -0.100 3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.123 -0.919 7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.825 -0.449 7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.752 0.508 3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.750 0.361 5.223 1.00 0.00 H new ATOM 114 N CYS A 10 -3.397 -2.257 4.449 1.00 0.00 N ATOM 115 CA CYS A 10 -2.053 -2.289 5.001 1.00 0.00 C ATOM 116 C CYS A 10 -1.657 -0.862 5.385 1.00 0.00 C ATOM 117 O CYS A 10 -2.044 0.095 4.715 1.00 0.00 O ATOM 118 CB CYS A 10 -1.055 -2.914 4.023 1.00 0.00 C ATOM 119 SG CYS A 10 -1.817 -4.353 3.186 1.00 0.00 S ATOM 0 H CYS A 10 -3.636 -1.396 3.957 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.037 -2.921 5.889 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.746 -2.175 3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.157 -3.226 4.557 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.650 -4.936 3.997 1.00 0.00 H new ATOM 125 N GLN A 11 -0.892 -0.764 6.462 1.00 0.00 N ATOM 126 CA GLN A 11 -0.440 0.530 6.944 1.00 0.00 C ATOM 127 C GLN A 11 0.989 0.803 6.470 1.00 0.00 C ATOM 128 O GLN A 11 1.851 -0.071 6.549 1.00 0.00 O ATOM 129 CB GLN A 11 -0.537 0.613 8.468 1.00 0.00 C ATOM 130 CG GLN A 11 -0.653 2.066 8.932 1.00 0.00 C ATOM 131 CD GLN A 11 -1.318 2.151 10.308 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.212 1.258 11.133 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.006 3.271 10.508 1.00 0.00 N ATOM 0 H GLN A 11 -0.574 -1.560 7.015 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.093 1.298 6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.403 0.047 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.343 0.153 8.917 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.338 2.518 8.974 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.233 2.638 8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.054 3.978 9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.486 3.423 11.395 1.00 0.00 H new ATOM 142 N VAL A 12 1.196 2.020 5.988 1.00 0.00 N ATOM 143 CA VAL A 12 2.506 2.419 5.501 1.00 0.00 C ATOM 144 C VAL A 12 3.428 2.687 6.693 1.00 0.00 C ATOM 145 O VAL A 12 3.148 3.557 7.515 1.00 0.00 O ATOM 146 CB VAL A 12 2.373 3.623 4.566 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.735 4.268 4.305 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.694 3.224 3.254 1.00 0.00 C ATOM 0 H VAL A 12 0.479 2.743 5.924 1.00 0.00 H new ATOM 0 HA VAL A 12 2.956 1.618 4.915 1.00 0.00 H new ATOM 0 HB VAL A 12 1.742 4.363 5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.612 5.121 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.165 4.604 5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.400 3.539 3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.611 4.097 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.288 2.458 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.699 2.832 3.464 1.00 0.00 H new ATOM 158 N ALA A 13 4.509 1.923 6.747 1.00 0.00 N ATOM 159 CA ALA A 13 5.474 2.067 7.824 1.00 0.00 C ATOM 160 C ALA A 13 6.577 3.034 7.389 1.00 0.00 C ATOM 161 O ALA A 13 7.286 3.589 8.226 1.00 0.00 O ATOM 162 CB ALA A 13 6.023 0.691 8.206 1.00 0.00 C ATOM 0 H ALA A 13 4.738 1.202 6.062 1.00 0.00 H new ATOM 0 HA ALA A 13 4.999 2.486 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.747 0.799 9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.204 0.051 8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.510 0.240 7.341 1.00 0.00 H new ATOM 168 N PHE A 14 6.686 3.207 6.080 1.00 0.00 N ATOM 169 CA PHE A 14 7.690 4.098 5.524 1.00 0.00 C ATOM 170 C PHE A 14 7.106 4.943 4.390 1.00 0.00 C ATOM 171 O PHE A 14 6.512 4.409 3.455 1.00 0.00 O ATOM 172 CB PHE A 14 8.808 3.216 4.962 1.00 0.00 C ATOM 173 CG PHE A 14 9.279 2.123 5.923 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.509 1.021 6.129 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.468 2.252 6.570 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.946 0.005 7.020 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.906 1.236 7.461 1.00 0.00 C ATOM 178 CZ PHE A 14 10.136 0.135 7.667 1.00 0.00 C ATOM 0 H PHE A 14 6.096 2.745 5.388 1.00 0.00 H new ATOM 0 HA PHE A 14 8.054 4.776 6.296 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.461 2.750 4.040 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.658 3.847 4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.565 0.918 5.615 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.079 3.127 6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.334 -0.870 7.184 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.851 1.338 7.975 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.469 -0.637 8.345 1.00 0.00 H new ATOM 188 N SER A 15 7.294 6.249 4.511 1.00 0.00 N ATOM 189 CA SER A 15 6.793 7.174 3.508 1.00 0.00 C ATOM 190 C SER A 15 7.589 7.020 2.211 1.00 0.00 C ATOM 191 O SER A 15 8.810 6.870 2.242 1.00 0.00 O ATOM 192 CB SER A 15 6.864 8.618 4.007 1.00 0.00 C ATOM 193 OG SER A 15 6.237 8.776 5.277 1.00 0.00 O ATOM 0 H SER A 15 7.786 6.689 5.288 1.00 0.00 H new ATOM 0 HA SER A 15 5.747 6.936 3.315 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.907 8.926 4.077 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.385 9.276 3.282 1.00 0.00 H new ATOM 0 HG SER A 15 6.305 9.711 5.561 1.00 0.00 H new ATOM 199 N TYR A 16 6.866 7.064 1.102 1.00 0.00 N ATOM 200 CA TYR A 16 7.490 6.932 -0.204 1.00 0.00 C ATOM 201 C TYR A 16 6.976 8.003 -1.168 1.00 0.00 C ATOM 202 O TYR A 16 5.769 8.139 -1.365 1.00 0.00 O ATOM 203 CB TYR A 16 7.083 5.553 -0.728 1.00 0.00 C ATOM 204 CG TYR A 16 7.481 5.299 -2.183 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.647 5.700 -3.207 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.674 4.668 -2.473 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.021 5.461 -4.577 1.00 0.00 C ATOM 208 CE2 TYR A 16 9.048 4.428 -3.842 1.00 0.00 C ATOM 209 CZ TYR A 16 8.203 4.837 -4.827 1.00 0.00 C ATOM 210 OH TYR A 16 8.557 4.610 -6.120 1.00 0.00 O ATOM 0 H TYR A 16 5.854 7.189 1.080 1.00 0.00 H new ATOM 0 HA TYR A 16 8.571 7.048 -0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.537 4.788 -0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.003 5.444 -0.633 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.713 6.193 -2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.327 4.354 -1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.377 5.770 -5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.978 3.934 -4.082 1.00 0.00 H new ATOM 0 HH TYR A 16 8.316 5.387 -6.666 1.00 0.00 H new ATOM 220 N LEU A 17 7.917 8.736 -1.744 1.00 0.00 N ATOM 221 CA LEU A 17 7.575 9.791 -2.683 1.00 0.00 C ATOM 222 C LEU A 17 7.618 9.234 -4.107 1.00 0.00 C ATOM 223 O LEU A 17 8.615 8.640 -4.515 1.00 0.00 O ATOM 224 CB LEU A 17 8.476 11.010 -2.472 1.00 0.00 C ATOM 225 CG LEU A 17 8.361 11.701 -1.111 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.094 12.555 -1.035 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.436 10.683 0.029 1.00 0.00 C ATOM 0 H LEU A 17 8.917 8.620 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 17 6.558 10.141 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.512 10.701 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.252 11.741 -3.249 1.00 0.00 H new ATOM 0 HG LEU A 17 9.210 12.375 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.037 13.035 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.122 13.318 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.219 11.921 -1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.352 11.200 0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.621 9.966 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.389 10.156 -0.016 1.00 0.00 H new ATOM 239 N PRO A 18 6.495 9.451 -4.843 1.00 0.00 N ATOM 240 CA PRO A 18 6.395 8.977 -6.213 1.00 0.00 C ATOM 241 C PRO A 18 7.225 9.850 -7.157 1.00 0.00 C ATOM 242 O PRO A 18 6.922 11.028 -7.346 1.00 0.00 O ATOM 243 CB PRO A 18 4.909 9.004 -6.531 1.00 0.00 C ATOM 244 CG PRO A 18 4.278 9.925 -5.499 1.00 0.00 C ATOM 245 CD PRO A 18 5.295 10.150 -4.393 1.00 0.00 C ATOM 0 HA PRO A 18 6.798 7.972 -6.341 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.733 9.371 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.480 8.004 -6.476 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.995 10.873 -5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.368 9.481 -5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.488 11.212 -4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.939 9.754 -3.442 1.00 0.00 H new ATOM 253 N GLN A 19 8.254 9.240 -7.725 1.00 0.00 N ATOM 254 CA GLN A 19 9.129 9.947 -8.644 1.00 0.00 C ATOM 255 C GLN A 19 8.486 10.033 -10.030 1.00 0.00 C ATOM 256 O GLN A 19 9.115 10.489 -10.983 1.00 0.00 O ATOM 257 CB GLN A 19 10.503 9.277 -8.719 1.00 0.00 C ATOM 258 CG GLN A 19 11.017 8.925 -7.321 1.00 0.00 C ATOM 259 CD GLN A 19 12.292 9.706 -6.993 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.401 9.211 -7.112 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.072 10.949 -6.576 1.00 0.00 N ATOM 0 H GLN A 19 8.502 8.263 -7.567 1.00 0.00 H new ATOM 0 HA GLN A 19 9.275 10.960 -8.268 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.439 8.373 -9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.210 9.943 -9.214 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.249 9.148 -6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.216 7.855 -7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.117 11.300 -6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.858 11.552 -6.333 1.00 0.00 H new ATOM 270 N ASN A 20 7.240 9.587 -10.097 1.00 0.00 N ATOM 271 CA ASN A 20 6.504 9.607 -11.350 1.00 0.00 C ATOM 272 C ASN A 20 5.055 10.015 -11.079 1.00 0.00 C ATOM 273 O ASN A 20 4.637 10.106 -9.925 1.00 0.00 O ATOM 274 CB ASN A 20 6.491 8.224 -12.004 1.00 0.00 C ATOM 275 CG ASN A 20 7.898 7.622 -12.041 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.598 7.676 -13.039 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.270 7.047 -10.902 1.00 0.00 N ATOM 0 H ASN A 20 6.721 9.210 -9.304 1.00 0.00 H new ATOM 0 HA ASN A 20 6.994 10.317 -12.017 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.823 7.563 -11.452 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.097 8.301 -13.018 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.191 6.616 -10.826 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.634 7.037 -10.104 1.00 0.00 H new ATOM 284 N ASP A 21 4.328 10.251 -12.161 1.00 0.00 N ATOM 285 CA ASP A 21 2.934 10.647 -12.054 1.00 0.00 C ATOM 286 C ASP A 21 2.043 9.415 -12.224 1.00 0.00 C ATOM 287 O ASP A 21 0.928 9.516 -12.733 1.00 0.00 O ATOM 288 CB ASP A 21 2.562 11.654 -13.145 1.00 0.00 C ATOM 289 CG ASP A 21 1.543 12.715 -12.726 1.00 0.00 C ATOM 290 OD1 ASP A 21 1.067 12.621 -11.574 1.00 0.00 O ATOM 291 OD2 ASP A 21 1.263 13.596 -13.567 1.00 0.00 O ATOM 0 H ASP A 21 4.678 10.176 -13.116 1.00 0.00 H new ATOM 0 HA ASP A 21 2.788 11.105 -11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.470 12.156 -13.480 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.165 11.109 -14.001 1.00 0.00 H new ATOM 296 N ASP A 22 2.569 8.279 -11.789 1.00 0.00 N ATOM 297 CA ASP A 22 1.835 7.029 -11.886 1.00 0.00 C ATOM 298 C ASP A 22 2.175 6.148 -10.683 1.00 0.00 C ATOM 299 O ASP A 22 1.952 4.939 -10.711 1.00 0.00 O ATOM 300 CB ASP A 22 2.218 6.264 -13.155 1.00 0.00 C ATOM 301 CG ASP A 22 1.039 5.693 -13.945 1.00 0.00 C ATOM 302 OD1 ASP A 22 0.144 6.495 -14.289 1.00 0.00 O ATOM 303 OD2 ASP A 22 1.059 4.467 -14.188 1.00 0.00 O ATOM 0 H ASP A 22 3.495 8.198 -11.369 1.00 0.00 H new ATOM 0 HA ASP A 22 0.771 7.264 -11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.784 6.930 -13.806 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.883 5.445 -12.881 1.00 0.00 H new ATOM 308 N GLU A 23 2.710 6.788 -9.653 1.00 0.00 N ATOM 309 CA GLU A 23 3.083 6.078 -8.442 1.00 0.00 C ATOM 310 C GLU A 23 2.256 6.579 -7.256 1.00 0.00 C ATOM 311 O GLU A 23 1.569 7.595 -7.359 1.00 0.00 O ATOM 312 CB GLU A 23 4.581 6.217 -8.163 1.00 0.00 C ATOM 313 CG GLU A 23 5.370 5.093 -8.837 1.00 0.00 C ATOM 314 CD GLU A 23 6.519 4.619 -7.945 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.210 4.020 -6.892 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.681 4.867 -8.336 1.00 0.00 O ATOM 0 H GLU A 23 2.894 7.791 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 23 2.871 5.019 -8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.934 7.182 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.758 6.196 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.705 4.257 -9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.766 5.443 -9.791 1.00 0.00 H new ATOM 323 N LEU A 24 2.348 5.844 -6.158 1.00 0.00 N ATOM 324 CA LEU A 24 1.617 6.202 -4.954 1.00 0.00 C ATOM 325 C LEU A 24 2.574 6.857 -3.957 1.00 0.00 C ATOM 326 O LEU A 24 3.770 6.569 -3.958 1.00 0.00 O ATOM 327 CB LEU A 24 0.882 4.983 -4.392 1.00 0.00 C ATOM 328 CG LEU A 24 -0.509 4.713 -4.969 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.251 3.662 -4.141 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.309 6.010 -5.100 1.00 0.00 C ATOM 0 H LEU A 24 2.918 5.002 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 24 0.843 6.935 -5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.501 4.101 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.788 5.106 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.390 4.306 -5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.237 3.489 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.685 2.731 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.361 4.017 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.294 5.790 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.421 6.469 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.783 6.697 -5.763 1.00 0.00 H new ATOM 342 N GLU A 25 2.012 7.727 -3.130 1.00 0.00 N ATOM 343 CA GLU A 25 2.801 8.426 -2.130 1.00 0.00 C ATOM 344 C GLU A 25 2.541 7.837 -0.742 1.00 0.00 C ATOM 345 O GLU A 25 1.534 8.152 -0.110 1.00 0.00 O ATOM 346 CB GLU A 25 2.509 9.928 -2.153 1.00 0.00 C ATOM 347 CG GLU A 25 3.323 10.661 -1.084 1.00 0.00 C ATOM 348 CD GLU A 25 2.931 12.138 -1.014 1.00 0.00 C ATOM 349 OE1 GLU A 25 1.734 12.396 -0.763 1.00 0.00 O ATOM 350 OE2 GLU A 25 3.837 12.975 -1.213 1.00 0.00 O ATOM 0 H GLU A 25 1.020 7.964 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 25 3.856 8.291 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.746 10.333 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.445 10.098 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.162 10.192 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.386 10.573 -1.308 1.00 0.00 H new ATOM 357 N LEU A 26 3.465 6.993 -0.309 1.00 0.00 N ATOM 358 CA LEU A 26 3.348 6.357 0.992 1.00 0.00 C ATOM 359 C LEU A 26 3.711 7.367 2.082 1.00 0.00 C ATOM 360 O LEU A 26 4.656 8.139 1.929 1.00 0.00 O ATOM 361 CB LEU A 26 4.182 5.075 1.039 1.00 0.00 C ATOM 362 CG LEU A 26 4.050 4.145 -0.168 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.106 3.038 -0.125 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.632 3.580 -0.272 1.00 0.00 C ATOM 0 H LEU A 26 4.299 6.734 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 26 2.319 6.047 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.231 5.351 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.905 4.518 1.934 1.00 0.00 H new ATOM 0 HG LEU A 26 4.231 4.729 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.990 2.391 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.101 3.484 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.980 2.450 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.565 2.922 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.398 3.016 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.921 4.399 -0.383 1.00 0.00 H new ATOM 376 N LYS A 27 2.940 7.330 3.160 1.00 0.00 N ATOM 377 CA LYS A 27 3.169 8.232 4.275 1.00 0.00 C ATOM 378 C LYS A 27 2.908 7.490 5.588 1.00 0.00 C ATOM 379 O LYS A 27 1.785 7.060 5.849 1.00 0.00 O ATOM 380 CB LYS A 27 2.337 9.506 4.113 1.00 0.00 C ATOM 381 CG LYS A 27 3.184 10.645 3.544 1.00 0.00 C ATOM 382 CD LYS A 27 3.362 11.763 4.574 1.00 0.00 C ATOM 383 CE LYS A 27 2.520 12.986 4.207 1.00 0.00 C ATOM 384 NZ LYS A 27 3.388 14.099 3.763 1.00 0.00 N ATOM 0 H LYS A 27 2.156 6.689 3.284 1.00 0.00 H new ATOM 0 HA LYS A 27 4.209 8.558 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.492 9.311 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.926 9.801 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.160 10.263 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.709 11.044 2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.074 11.402 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.413 12.045 4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.818 12.727 3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.929 13.299 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.800 14.921 3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.041 14.357 4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.933 13.802 2.929 1.00 0.00 H new ATOM 398 N VAL A 28 3.964 7.361 6.378 1.00 0.00 N ATOM 399 CA VAL A 28 3.863 6.678 7.656 1.00 0.00 C ATOM 400 C VAL A 28 2.504 6.987 8.289 1.00 0.00 C ATOM 401 O VAL A 28 2.266 8.106 8.741 1.00 0.00 O ATOM 402 CB VAL A 28 5.041 7.067 8.552 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.909 6.434 9.938 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.373 6.689 7.900 1.00 0.00 C ATOM 0 H VAL A 28 4.894 7.718 6.157 1.00 0.00 H new ATOM 0 HA VAL A 28 3.920 5.598 7.517 1.00 0.00 H new ATOM 0 HB VAL A 28 5.024 8.150 8.677 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.759 6.727 10.554 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.986 6.775 10.407 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.887 5.348 9.842 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.194 6.976 8.557 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.403 5.613 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.472 7.209 6.947 1.00 0.00 H new ATOM 414 N GLY A 29 1.649 5.975 8.300 1.00 0.00 N ATOM 415 CA GLY A 29 0.321 6.124 8.869 1.00 0.00 C ATOM 416 C GLY A 29 -0.758 5.948 7.798 1.00 0.00 C ATOM 417 O GLY A 29 -1.923 5.717 8.118 1.00 0.00 O ATOM 0 H GLY A 29 1.850 5.049 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.176 5.389 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.226 7.108 9.327 1.00 0.00 H new ATOM 421 N ASP A 30 -0.331 6.064 6.550 1.00 0.00 N ATOM 422 CA ASP A 30 -1.245 5.921 5.430 1.00 0.00 C ATOM 423 C ASP A 30 -1.662 4.455 5.301 1.00 0.00 C ATOM 424 O ASP A 30 -0.884 3.555 5.616 1.00 0.00 O ATOM 425 CB ASP A 30 -0.579 6.340 4.118 1.00 0.00 C ATOM 426 CG ASP A 30 -0.350 7.845 3.960 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.184 8.506 5.008 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.347 8.299 2.796 1.00 0.00 O ATOM 0 H ASP A 30 0.636 6.256 6.289 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.108 6.560 5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.382 5.831 4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.195 5.992 3.288 1.00 0.00 H new ATOM 433 N ILE A 31 -2.888 4.259 4.839 1.00 0.00 N ATOM 434 CA ILE A 31 -3.417 2.917 4.665 1.00 0.00 C ATOM 435 C ILE A 31 -3.848 2.728 3.209 1.00 0.00 C ATOM 436 O ILE A 31 -4.765 3.399 2.737 1.00 0.00 O ATOM 437 CB ILE A 31 -4.533 2.646 5.676 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.098 3.038 7.090 1.00 0.00 C ATOM 439 CG2 ILE A 31 -4.997 1.190 5.603 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.258 2.900 8.078 1.00 0.00 C ATOM 0 H ILE A 31 -3.531 5.008 4.580 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.646 2.174 4.869 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.388 3.270 5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.268 2.407 7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.735 4.066 7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.790 1.024 6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.373 0.978 4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.158 0.529 5.823 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.922 3.185 9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.077 3.551 7.771 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.603 1.866 8.092 1.00 0.00 H new ATOM 452 N ILE A 32 -3.167 1.811 2.538 1.00 0.00 N ATOM 453 CA ILE A 32 -3.468 1.526 1.145 1.00 0.00 C ATOM 454 C ILE A 32 -4.278 0.231 1.058 1.00 0.00 C ATOM 455 O ILE A 32 -3.857 -0.805 1.570 1.00 0.00 O ATOM 456 CB ILE A 32 -2.184 1.505 0.313 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.691 2.925 0.029 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.377 0.697 -0.972 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.171 3.017 0.177 1.00 0.00 C ATOM 0 H ILE A 32 -2.408 1.256 2.933 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.084 2.318 0.718 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.409 1.006 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.980 3.219 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.170 3.624 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.450 0.698 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.647 -0.329 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.172 1.145 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.154 4.037 -0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.113 2.745 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.305 2.335 -0.527 1.00 0.00 H new ATOM 471 N GLU A 33 -5.427 0.332 0.406 1.00 0.00 N ATOM 472 CA GLU A 33 -6.301 -0.818 0.246 1.00 0.00 C ATOM 473 C GLU A 33 -5.796 -1.713 -0.888 1.00 0.00 C ATOM 474 O GLU A 33 -6.222 -1.570 -2.033 1.00 0.00 O ATOM 475 CB GLU A 33 -7.745 -0.379 -0.004 1.00 0.00 C ATOM 476 CG GLU A 33 -8.665 -0.858 1.121 1.00 0.00 C ATOM 477 CD GLU A 33 -10.069 -1.157 0.590 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.703 -0.201 0.093 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.476 -2.334 0.694 1.00 0.00 O ATOM 0 H GLU A 33 -5.773 1.193 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.286 -1.393 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.791 0.707 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.091 -0.779 -0.957 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.248 -1.754 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.721 -0.097 1.899 1.00 0.00 H new ATOM 486 N VAL A 34 -4.896 -2.617 -0.529 1.00 0.00 N ATOM 487 CA VAL A 34 -4.329 -3.536 -1.502 1.00 0.00 C ATOM 488 C VAL A 34 -5.452 -4.113 -2.366 1.00 0.00 C ATOM 489 O VAL A 34 -6.284 -4.877 -1.880 1.00 0.00 O ATOM 490 CB VAL A 34 -3.510 -4.613 -0.788 1.00 0.00 C ATOM 491 CG1 VAL A 34 -2.932 -5.615 -1.790 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.402 -3.987 0.061 1.00 0.00 C ATOM 0 H VAL A 34 -4.545 -2.733 0.422 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.643 -3.013 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.179 -5.154 -0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.354 -6.370 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.745 -6.097 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.284 -5.093 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.835 -4.775 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.736 -3.409 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.845 -3.331 0.810 1.00 0.00 H new ATOM 502 N VAL A 35 -5.439 -3.725 -3.633 1.00 0.00 N ATOM 503 CA VAL A 35 -6.446 -4.195 -4.570 1.00 0.00 C ATOM 504 C VAL A 35 -5.905 -5.410 -5.325 1.00 0.00 C ATOM 505 O VAL A 35 -6.657 -6.328 -5.650 1.00 0.00 O ATOM 506 CB VAL A 35 -6.870 -3.054 -5.497 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.670 -1.996 -4.734 1.00 0.00 C ATOM 508 CG2 VAL A 35 -5.657 -2.431 -6.190 1.00 0.00 C ATOM 0 H VAL A 35 -4.747 -3.091 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.343 -4.515 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.518 -3.472 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.959 -1.196 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.564 -2.452 -4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.057 -1.585 -3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.986 -1.623 -6.843 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.973 -2.035 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.146 -3.190 -6.782 1.00 0.00 H new ATOM 518 N GLY A 36 -4.606 -5.377 -5.584 1.00 0.00 N ATOM 519 CA GLY A 36 -3.957 -6.464 -6.295 1.00 0.00 C ATOM 520 C GLY A 36 -2.446 -6.451 -6.056 1.00 0.00 C ATOM 521 O GLY A 36 -1.985 -6.032 -4.995 1.00 0.00 O ATOM 0 H GLY A 36 -3.986 -4.614 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.372 -7.417 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.161 -6.378 -7.362 1.00 0.00 H new ATOM 525 N GLU A 37 -1.715 -6.914 -7.060 1.00 0.00 N ATOM 526 CA GLU A 37 -0.266 -6.960 -6.972 1.00 0.00 C ATOM 527 C GLU A 37 0.358 -6.678 -8.340 1.00 0.00 C ATOM 528 O GLU A 37 0.035 -7.342 -9.324 1.00 0.00 O ATOM 529 CB GLU A 37 0.207 -8.307 -6.422 1.00 0.00 C ATOM 530 CG GLU A 37 1.719 -8.469 -6.593 1.00 0.00 C ATOM 531 CD GLU A 37 2.040 -9.497 -7.680 1.00 0.00 C ATOM 532 OE1 GLU A 37 2.088 -10.696 -7.330 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.231 -9.060 -8.835 1.00 0.00 O ATOM 0 H GLU A 37 -2.100 -7.261 -7.939 1.00 0.00 H new ATOM 0 HA GLU A 37 0.061 -6.186 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.054 -8.384 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.310 -9.116 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.164 -7.509 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.164 -8.782 -5.648 1.00 0.00 H new ATOM 540 N VAL A 38 1.242 -5.690 -8.360 1.00 0.00 N ATOM 541 CA VAL A 38 1.914 -5.312 -9.591 1.00 0.00 C ATOM 542 C VAL A 38 2.962 -6.370 -9.941 1.00 0.00 C ATOM 543 O VAL A 38 2.761 -7.168 -10.856 1.00 0.00 O ATOM 544 CB VAL A 38 2.505 -3.907 -9.453 1.00 0.00 C ATOM 545 CG1 VAL A 38 3.088 -3.425 -10.784 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.462 -2.922 -8.923 1.00 0.00 C ATOM 0 H VAL A 38 1.508 -5.140 -7.543 1.00 0.00 H new ATOM 0 HA VAL A 38 1.204 -5.273 -10.417 1.00 0.00 H new ATOM 0 HB VAL A 38 3.318 -3.955 -8.728 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.502 -2.424 -10.659 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.877 -4.106 -11.104 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.301 -3.401 -11.538 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.909 -1.932 -8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.618 -2.879 -9.612 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.114 -3.252 -7.944 1.00 0.00 H new ATOM 556 N GLU A 39 4.056 -6.343 -9.195 1.00 0.00 N ATOM 557 CA GLU A 39 5.136 -7.290 -9.416 1.00 0.00 C ATOM 558 C GLU A 39 5.807 -7.648 -8.088 1.00 0.00 C ATOM 559 O GLU A 39 5.462 -7.095 -7.045 1.00 0.00 O ATOM 560 CB GLU A 39 6.155 -6.737 -10.414 1.00 0.00 C ATOM 561 CG GLU A 39 6.925 -5.558 -9.816 1.00 0.00 C ATOM 562 CD GLU A 39 8.228 -5.310 -10.578 1.00 0.00 C ATOM 563 OE1 GLU A 39 8.129 -4.881 -11.747 1.00 0.00 O ATOM 564 OE2 GLU A 39 9.294 -5.556 -9.973 1.00 0.00 O ATOM 0 H GLU A 39 4.218 -5.680 -8.437 1.00 0.00 H new ATOM 0 HA GLU A 39 4.714 -8.199 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.853 -7.524 -10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.644 -6.419 -11.322 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.306 -4.662 -9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.145 -5.757 -8.767 1.00 0.00 H new ATOM 571 N GLU A 40 6.754 -8.571 -8.171 1.00 0.00 N ATOM 572 CA GLU A 40 7.476 -9.010 -6.989 1.00 0.00 C ATOM 573 C GLU A 40 8.040 -7.804 -6.233 1.00 0.00 C ATOM 574 O GLU A 40 8.898 -7.090 -6.749 1.00 0.00 O ATOM 575 CB GLU A 40 8.589 -9.993 -7.359 1.00 0.00 C ATOM 576 CG GLU A 40 9.055 -10.781 -6.134 1.00 0.00 C ATOM 577 CD GLU A 40 10.573 -10.686 -5.966 1.00 0.00 C ATOM 578 OE1 GLU A 40 11.263 -11.546 -6.555 1.00 0.00 O ATOM 579 OE2 GLU A 40 11.009 -9.757 -5.254 1.00 0.00 O ATOM 0 H GLU A 40 7.038 -9.027 -9.038 1.00 0.00 H new ATOM 0 HA GLU A 40 6.778 -9.532 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.231 -10.682 -8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.431 -9.450 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.562 -10.397 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.761 -11.826 -6.236 1.00 0.00 H new ATOM 586 N GLY A 41 7.534 -7.616 -5.023 1.00 0.00 N ATOM 587 CA GLY A 41 7.976 -6.509 -4.192 1.00 0.00 C ATOM 588 C GLY A 41 7.146 -5.253 -4.465 1.00 0.00 C ATOM 589 O GLY A 41 7.310 -4.237 -3.790 1.00 0.00 O ATOM 0 H GLY A 41 6.823 -8.211 -4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.892 -6.783 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.029 -6.303 -4.385 1.00 0.00 H new ATOM 593 N TRP A 42 6.273 -5.362 -5.455 1.00 0.00 N ATOM 594 CA TRP A 42 5.418 -4.248 -5.826 1.00 0.00 C ATOM 595 C TRP A 42 3.966 -4.729 -5.776 1.00 0.00 C ATOM 596 O TRP A 42 3.623 -5.742 -6.383 1.00 0.00 O ATOM 597 CB TRP A 42 5.813 -3.683 -7.192 1.00 0.00 C ATOM 598 CG TRP A 42 7.157 -2.952 -7.197 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.385 -3.482 -7.277 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.359 -1.525 -7.115 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.360 -2.506 -7.253 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.717 -1.278 -7.152 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.427 -0.478 -7.014 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.263 0.010 -7.092 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.989 0.803 -6.955 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.353 1.068 -6.990 1.00 0.00 C ATOM 0 H TRP A 42 6.139 -6.206 -6.012 1.00 0.00 H new ATOM 0 HA TRP A 42 5.536 -3.422 -5.125 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.852 -4.499 -7.914 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.036 -2.996 -7.528 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.586 -4.540 -7.351 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.368 -2.658 -7.301 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.361 -0.648 -6.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.329 0.178 -7.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.316 1.644 -6.877 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.709 2.086 -6.939 1.00 0.00 H new ATOM 617 N TRP A 43 3.153 -3.980 -5.046 1.00 0.00 N ATOM 618 CA TRP A 43 1.746 -4.317 -4.909 1.00 0.00 C ATOM 619 C TRP A 43 0.924 -3.147 -5.452 1.00 0.00 C ATOM 620 O TRP A 43 1.468 -2.083 -5.741 1.00 0.00 O ATOM 621 CB TRP A 43 1.405 -4.665 -3.458 1.00 0.00 C ATOM 622 CG TRP A 43 1.904 -6.041 -3.014 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.444 -7.007 -3.771 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.886 -6.570 -1.671 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.775 -8.114 -3.017 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.425 -7.840 -1.700 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.431 -5.994 -0.473 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.558 -8.642 -0.560 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.571 -6.808 0.658 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.111 -8.089 0.646 1.00 0.00 C ATOM 0 H TRP A 43 3.442 -3.141 -4.543 1.00 0.00 H new ATOM 0 HA TRP A 43 1.505 -5.209 -5.487 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.833 -3.906 -2.803 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.323 -4.623 -3.330 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.600 -6.928 -4.837 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.199 -8.975 -3.362 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.007 -5.002 -0.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.983 -9.634 -0.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.236 -6.413 1.606 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.185 -8.655 1.563 1.00 0.00 H new ATOM 641 N GLU A 44 -0.374 -3.384 -5.576 1.00 0.00 N ATOM 642 CA GLU A 44 -1.276 -2.363 -6.080 1.00 0.00 C ATOM 643 C GLU A 44 -2.416 -2.124 -5.086 1.00 0.00 C ATOM 644 O GLU A 44 -3.076 -3.068 -4.656 1.00 0.00 O ATOM 645 CB GLU A 44 -1.821 -2.745 -7.457 1.00 0.00 C ATOM 646 CG GLU A 44 -2.358 -1.516 -8.194 1.00 0.00 C ATOM 647 CD GLU A 44 -2.332 -1.731 -9.709 1.00 0.00 C ATOM 648 OE1 GLU A 44 -2.553 -2.890 -10.122 1.00 0.00 O ATOM 649 OE2 GLU A 44 -2.092 -0.731 -10.420 1.00 0.00 O ATOM 0 H GLU A 44 -0.822 -4.268 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.716 -1.434 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.033 -3.212 -8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.616 -3.483 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.378 -1.310 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.759 -0.642 -7.937 1.00 0.00 H new ATOM 656 N GLY A 45 -2.610 -0.857 -4.751 1.00 0.00 N ATOM 657 CA GLY A 45 -3.658 -0.483 -3.817 1.00 0.00 C ATOM 658 C GLY A 45 -4.155 0.938 -4.091 1.00 0.00 C ATOM 659 O GLY A 45 -3.816 1.531 -5.114 1.00 0.00 O ATOM 0 H GLY A 45 -2.059 -0.077 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.489 -1.184 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.281 -0.550 -2.796 1.00 0.00 H new ATOM 663 N VAL A 46 -4.950 1.443 -3.159 1.00 0.00 N ATOM 664 CA VAL A 46 -5.497 2.783 -3.287 1.00 0.00 C ATOM 665 C VAL A 46 -5.063 3.623 -2.085 1.00 0.00 C ATOM 666 O VAL A 46 -5.048 3.137 -0.955 1.00 0.00 O ATOM 667 CB VAL A 46 -7.016 2.714 -3.452 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.670 4.043 -3.068 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.396 2.308 -4.877 1.00 0.00 C ATOM 0 H VAL A 46 -5.228 0.948 -2.312 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.109 3.271 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.391 1.947 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.750 3.967 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.442 4.274 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.285 4.837 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.482 2.267 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.002 3.040 -5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.976 1.327 -5.100 1.00 0.00 H new ATOM 679 N LEU A 47 -4.720 4.871 -2.369 1.00 0.00 N ATOM 680 CA LEU A 47 -4.287 5.784 -1.324 1.00 0.00 C ATOM 681 C LEU A 47 -5.266 6.956 -1.239 1.00 0.00 C ATOM 682 O LEU A 47 -5.061 7.989 -1.876 1.00 0.00 O ATOM 683 CB LEU A 47 -2.836 6.211 -1.554 1.00 0.00 C ATOM 684 CG LEU A 47 -2.271 7.229 -0.561 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.287 6.672 0.864 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.873 7.688 -0.981 1.00 0.00 C ATOM 0 H LEU A 47 -4.733 5.271 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.299 5.287 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.208 5.321 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.756 6.629 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.915 8.108 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.880 7.415 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.312 6.436 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.680 5.767 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.495 8.411 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.204 6.828 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.923 8.152 -1.966 1.00 0.00 H new ATOM 698 N ASN A 48 -6.310 6.757 -0.447 1.00 0.00 N ATOM 699 CA ASN A 48 -7.322 7.785 -0.271 1.00 0.00 C ATOM 700 C ASN A 48 -8.008 8.055 -1.611 1.00 0.00 C ATOM 701 O ASN A 48 -8.161 9.207 -2.014 1.00 0.00 O ATOM 702 CB ASN A 48 -6.697 9.096 0.213 1.00 0.00 C ATOM 703 CG ASN A 48 -6.739 9.193 1.739 1.00 0.00 C ATOM 704 OD1 ASN A 48 -7.767 9.453 2.342 1.00 0.00 O ATOM 705 ND2 ASN A 48 -5.568 8.970 2.327 1.00 0.00 N ATOM 0 H ASN A 48 -6.477 5.900 0.080 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.037 7.430 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.665 9.159 -0.131 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.231 9.940 -0.223 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.492 9.012 3.343 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.746 8.757 1.762 1.00 0.00 H new ATOM 712 N GLY A 49 -8.404 6.973 -2.266 1.00 0.00 N ATOM 713 CA GLY A 49 -9.070 7.078 -3.552 1.00 0.00 C ATOM 714 C GLY A 49 -8.067 6.960 -4.701 1.00 0.00 C ATOM 715 O GLY A 49 -8.399 6.452 -5.771 1.00 0.00 O ATOM 0 H GLY A 49 -8.276 6.019 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.823 6.295 -3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.593 8.032 -3.618 1.00 0.00 H new ATOM 719 N LYS A 50 -6.858 7.436 -4.440 1.00 0.00 N ATOM 720 CA LYS A 50 -5.804 7.390 -5.439 1.00 0.00 C ATOM 721 C LYS A 50 -5.429 5.932 -5.711 1.00 0.00 C ATOM 722 O LYS A 50 -5.971 5.021 -5.088 1.00 0.00 O ATOM 723 CB LYS A 50 -4.620 8.259 -5.009 1.00 0.00 C ATOM 724 CG LYS A 50 -4.002 8.976 -6.211 1.00 0.00 C ATOM 725 CD LYS A 50 -4.072 10.495 -6.039 1.00 0.00 C ATOM 726 CE LYS A 50 -2.987 11.191 -6.864 1.00 0.00 C ATOM 727 NZ LYS A 50 -3.566 11.776 -8.093 1.00 0.00 N ATOM 0 H LYS A 50 -6.585 7.855 -3.551 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.154 7.811 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.951 8.993 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.866 7.639 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.963 8.667 -6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.526 8.685 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.054 10.854 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.954 10.751 -4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.515 11.973 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.207 10.476 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.816 12.244 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.995 11.023 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.294 12.473 -7.836 1.00 0.00 H new ATOM 741 N THR A 51 -4.504 5.757 -6.644 1.00 0.00 N ATOM 742 CA THR A 51 -4.050 4.425 -7.006 1.00 0.00 C ATOM 743 C THR A 51 -2.676 4.493 -7.675 1.00 0.00 C ATOM 744 O THR A 51 -2.337 5.494 -8.306 1.00 0.00 O ATOM 745 CB THR A 51 -5.123 3.783 -7.888 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.226 3.589 -7.007 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.747 2.368 -8.332 1.00 0.00 C ATOM 0 H THR A 51 -4.057 6.515 -7.160 1.00 0.00 H new ATOM 0 HA THR A 51 -3.917 3.800 -6.123 1.00 0.00 H new ATOM 0 HB THR A 51 -5.291 4.406 -8.766 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.936 3.736 -6.082 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.542 1.959 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.819 2.400 -8.903 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.611 1.735 -7.455 1.00 0.00 H new ATOM 755 N GLY A 52 -1.920 3.417 -7.514 1.00 0.00 N ATOM 756 CA GLY A 52 -0.590 3.342 -8.095 1.00 0.00 C ATOM 757 C GLY A 52 0.196 2.164 -7.515 1.00 0.00 C ATOM 758 O GLY A 52 -0.207 1.579 -6.511 1.00 0.00 O ATOM 0 H GLY A 52 -2.203 2.589 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.667 3.235 -9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.053 4.271 -7.904 1.00 0.00 H new ATOM 762 N MET A 53 1.303 1.852 -8.172 1.00 0.00 N ATOM 763 CA MET A 53 2.149 0.755 -7.734 1.00 0.00 C ATOM 764 C MET A 53 3.102 1.206 -6.626 1.00 0.00 C ATOM 765 O MET A 53 3.758 2.239 -6.749 1.00 0.00 O ATOM 766 CB MET A 53 2.959 0.230 -8.922 1.00 0.00 C ATOM 767 CG MET A 53 3.663 1.373 -9.654 1.00 0.00 C ATOM 768 SD MET A 53 5.389 0.980 -9.885 1.00 0.00 S ATOM 769 CE MET A 53 5.247 -0.362 -11.053 1.00 0.00 C ATOM 0 H MET A 53 1.634 2.340 -9.005 1.00 0.00 H new ATOM 0 HA MET A 53 1.511 -0.036 -7.339 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.697 -0.492 -8.573 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.300 -0.297 -9.612 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.188 1.544 -10.620 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.565 2.296 -9.083 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.470 -1.305 -10.553 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.232 -0.393 -11.450 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.952 -0.209 -11.870 1.00 0.00 H new ATOM 779 N PHE A 54 3.148 0.409 -5.568 1.00 0.00 N ATOM 780 CA PHE A 54 4.010 0.713 -4.439 1.00 0.00 C ATOM 781 C PHE A 54 4.710 -0.548 -3.928 1.00 0.00 C ATOM 782 O PHE A 54 4.230 -1.659 -4.144 1.00 0.00 O ATOM 783 CB PHE A 54 3.115 1.270 -3.330 1.00 0.00 C ATOM 784 CG PHE A 54 2.229 0.218 -2.659 1.00 0.00 C ATOM 785 CD1 PHE A 54 1.062 -0.163 -3.245 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.608 -0.335 -1.476 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.240 -1.139 -2.622 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.786 -1.311 -0.853 1.00 0.00 C ATOM 789 CZ PHE A 54 0.619 -1.692 -1.439 1.00 0.00 C ATOM 0 H PHE A 54 2.602 -0.447 -5.469 1.00 0.00 H new ATOM 0 HA PHE A 54 4.778 1.426 -4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.742 1.739 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.481 2.052 -3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.761 0.277 -4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.534 -0.032 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.686 -1.442 -3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.087 -1.751 0.086 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.006 -2.434 -0.965 1.00 0.00 H new ATOM 799 N PRO A 55 5.864 -0.327 -3.242 1.00 0.00 N ATOM 800 CA PRO A 55 6.635 -1.432 -2.699 1.00 0.00 C ATOM 801 C PRO A 55 5.962 -2.008 -1.451 1.00 0.00 C ATOM 802 O PRO A 55 5.659 -1.275 -0.511 1.00 0.00 O ATOM 803 CB PRO A 55 8.011 -0.851 -2.418 1.00 0.00 C ATOM 804 CG PRO A 55 7.826 0.657 -2.377 1.00 0.00 C ATOM 805 CD PRO A 55 6.462 0.976 -2.967 1.00 0.00 C ATOM 0 HA PRO A 55 6.707 -2.274 -3.387 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.406 -1.222 -1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.721 -1.136 -3.194 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.893 1.022 -1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.613 1.154 -2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.854 1.552 -2.270 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.553 1.570 -3.876 1.00 0.00 H new ATOM 813 N SER A 56 5.749 -3.315 -1.483 1.00 0.00 N ATOM 814 CA SER A 56 5.119 -3.998 -0.366 1.00 0.00 C ATOM 815 C SER A 56 6.172 -4.384 0.674 1.00 0.00 C ATOM 816 O SER A 56 5.892 -5.155 1.591 1.00 0.00 O ATOM 817 CB SER A 56 4.358 -5.239 -0.837 1.00 0.00 C ATOM 818 OG SER A 56 5.239 -6.293 -1.217 1.00 0.00 O ATOM 0 H SER A 56 6.001 -3.919 -2.265 1.00 0.00 H new ATOM 0 HA SER A 56 4.401 -3.316 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.701 -5.586 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.722 -4.975 -1.682 1.00 0.00 H new ATOM 0 HG SER A 56 4.715 -7.079 -1.477 1.00 0.00 H new ATOM 824 N ASN A 57 7.363 -3.832 0.496 1.00 0.00 N ATOM 825 CA ASN A 57 8.461 -4.109 1.407 1.00 0.00 C ATOM 826 C ASN A 57 8.679 -2.900 2.318 1.00 0.00 C ATOM 827 O ASN A 57 9.711 -2.794 2.979 1.00 0.00 O ATOM 828 CB ASN A 57 9.761 -4.365 0.642 1.00 0.00 C ATOM 829 CG ASN A 57 9.986 -5.864 0.431 1.00 0.00 C ATOM 830 OD1 ASN A 57 9.082 -6.676 0.541 1.00 0.00 O ATOM 831 ND2 ASN A 57 11.240 -6.184 0.124 1.00 0.00 N ATOM 0 H ASN A 57 7.592 -3.194 -0.266 1.00 0.00 H new ATOM 0 HA ASN A 57 8.203 -4.996 1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.725 -3.859 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.601 -3.941 1.193 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.493 -7.159 -0.035 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.949 -5.454 0.048 1.00 0.00 H new ATOM 838 N PHE A 58 7.690 -2.017 2.324 1.00 0.00 N ATOM 839 CA PHE A 58 7.761 -0.819 3.144 1.00 0.00 C ATOM 840 C PHE A 58 6.422 -0.543 3.829 1.00 0.00 C ATOM 841 O PHE A 58 6.053 0.611 4.037 1.00 0.00 O ATOM 842 CB PHE A 58 8.091 0.344 2.207 1.00 0.00 C ATOM 843 CG PHE A 58 9.583 0.498 1.906 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.433 0.921 2.880 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.060 0.212 0.665 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.818 1.064 2.601 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.445 0.355 0.386 1.00 0.00 C ATOM 848 CZ PHE A 58 12.295 0.778 1.360 1.00 0.00 C ATOM 0 H PHE A 58 6.836 -2.108 1.774 1.00 0.00 H new ATOM 0 HA PHE A 58 8.516 -0.943 3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.554 0.204 1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.723 1.269 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.055 1.148 3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.385 -0.124 -0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.493 1.400 3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.823 0.128 -0.600 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.348 0.887 1.148 1.00 0.00 H new ATOM 858 N ILE A 59 5.729 -1.623 4.160 1.00 0.00 N ATOM 859 CA ILE A 59 4.438 -1.512 4.818 1.00 0.00 C ATOM 860 C ILE A 59 4.311 -2.614 5.872 1.00 0.00 C ATOM 861 O ILE A 59 5.273 -3.330 6.146 1.00 0.00 O ATOM 862 CB ILE A 59 3.309 -1.516 3.785 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.487 -2.658 2.782 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.195 -0.157 3.092 1.00 0.00 C ATOM 865 CD1 ILE A 59 2.848 -3.947 3.300 1.00 0.00 C ATOM 0 H ILE A 59 6.037 -2.579 3.985 1.00 0.00 H new ATOM 0 HA ILE A 59 4.357 -0.559 5.341 1.00 0.00 H new ATOM 0 HB ILE A 59 2.369 -1.691 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.037 -2.383 1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.549 -2.823 2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.385 -0.187 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.986 0.614 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.132 0.072 2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.989 -4.742 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.317 -4.233 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.782 -3.786 3.460 1.00 0.00 H new ATOM 877 N LYS A 60 3.116 -2.715 6.435 1.00 0.00 N ATOM 878 CA LYS A 60 2.851 -3.717 7.453 1.00 0.00 C ATOM 879 C LYS A 60 1.378 -4.127 7.387 1.00 0.00 C ATOM 880 O LYS A 60 0.502 -3.379 7.818 1.00 0.00 O ATOM 881 CB LYS A 60 3.287 -3.211 8.829 1.00 0.00 C ATOM 882 CG LYS A 60 2.586 -1.896 9.177 1.00 0.00 C ATOM 883 CD LYS A 60 3.430 -1.065 10.146 1.00 0.00 C ATOM 884 CE LYS A 60 2.900 -1.185 11.577 1.00 0.00 C ATOM 885 NZ LYS A 60 3.340 -2.460 12.187 1.00 0.00 N ATOM 0 H LYS A 60 2.320 -2.119 6.205 1.00 0.00 H new ATOM 0 HA LYS A 60 3.441 -4.614 7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.057 -3.961 9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.367 -3.066 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.403 -1.325 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.614 -2.105 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.467 -1.399 10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.421 -0.020 9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.257 -0.347 12.175 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.811 -1.133 11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.972 -2.526 13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.978 -3.257 11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.379 -2.494 12.208 1.00 0.00 H new ATOM 899 N GLU A 61 1.151 -5.314 6.844 1.00 0.00 N ATOM 900 CA GLU A 61 -0.200 -5.833 6.717 1.00 0.00 C ATOM 901 C GLU A 61 -0.931 -5.747 8.058 1.00 0.00 C ATOM 902 O GLU A 61 -0.305 -5.550 9.098 1.00 0.00 O ATOM 903 CB GLU A 61 -0.188 -7.269 6.190 1.00 0.00 C ATOM 904 CG GLU A 61 0.811 -7.424 5.041 1.00 0.00 C ATOM 905 CD GLU A 61 2.059 -8.182 5.499 1.00 0.00 C ATOM 906 OE1 GLU A 61 1.880 -9.184 6.224 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.163 -7.742 5.113 1.00 0.00 O ATOM 0 H GLU A 61 1.880 -5.931 6.487 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.737 -5.220 5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.072 -7.954 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.186 -7.543 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.340 -7.956 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.095 -6.441 4.666 1.00 0.00 H new ATOM 914 N LEU A 62 -2.245 -5.899 7.991 1.00 0.00 N ATOM 915 CA LEU A 62 -3.068 -5.841 9.187 1.00 0.00 C ATOM 916 C LEU A 62 -4.189 -6.877 9.081 1.00 0.00 C ATOM 917 O LEU A 62 -5.002 -6.824 8.159 1.00 0.00 O ATOM 918 CB LEU A 62 -3.568 -4.415 9.424 1.00 0.00 C ATOM 919 CG LEU A 62 -2.555 -3.297 9.169 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.255 -2.018 8.708 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.679 -3.059 10.401 1.00 0.00 C ATOM 0 H LEU A 62 -2.761 -6.062 7.126 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.479 -6.098 10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.435 -4.245 8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.911 -4.339 10.456 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.895 -3.612 8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.512 -1.239 8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.799 -2.214 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.953 -1.688 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.968 -2.260 10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.308 -2.775 11.245 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.137 -3.973 10.644 1.00 0.00 H new ATOM 933 N SER A 63 -4.196 -7.794 10.036 1.00 0.00 N ATOM 934 CA SER A 63 -5.204 -8.841 10.062 1.00 0.00 C ATOM 935 C SER A 63 -5.655 -9.098 11.501 1.00 0.00 C ATOM 936 O SER A 63 -4.874 -8.940 12.438 1.00 0.00 O ATOM 937 CB SER A 63 -4.675 -10.131 9.432 1.00 0.00 C ATOM 938 OG SER A 63 -5.662 -11.158 9.411 1.00 0.00 O ATOM 0 H SER A 63 -3.520 -7.834 10.798 1.00 0.00 H new ATOM 0 HA SER A 63 -6.059 -8.507 9.475 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.342 -9.927 8.414 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.804 -10.476 9.989 1.00 0.00 H new ATOM 0 HG SER A 63 -5.286 -11.964 9.000 1.00 0.00 H new ATOM 944 N GLY A 64 -6.913 -9.492 11.632 1.00 0.00 N ATOM 945 CA GLY A 64 -7.477 -9.773 12.941 1.00 0.00 C ATOM 946 C GLY A 64 -7.805 -8.478 13.686 1.00 0.00 C ATOM 947 O GLY A 64 -7.722 -7.391 13.116 1.00 0.00 O ATOM 0 H GLY A 64 -7.558 -9.623 10.853 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.381 -10.372 12.830 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.772 -10.364 13.525 1.00 0.00 H new ATOM 951 N PRO A 65 -8.180 -8.640 14.983 1.00 0.00 N ATOM 952 CA PRO A 65 -8.521 -7.497 15.813 1.00 0.00 C ATOM 953 C PRO A 65 -7.265 -6.733 16.236 1.00 0.00 C ATOM 954 O PRO A 65 -6.958 -6.645 17.424 1.00 0.00 O ATOM 955 CB PRO A 65 -9.287 -8.079 16.990 1.00 0.00 C ATOM 956 CG PRO A 65 -8.946 -9.561 17.017 1.00 0.00 C ATOM 957 CD PRO A 65 -8.290 -9.912 15.692 1.00 0.00 C ATOM 0 HA PRO A 65 -9.128 -6.761 15.286 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.998 -7.594 17.923 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.360 -7.927 16.871 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.274 -9.783 17.846 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.846 -10.157 17.167 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.311 -10.367 15.843 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.890 -10.628 15.130 1.00 0.00 H new ATOM 965 N SER A 66 -6.572 -6.200 15.240 1.00 0.00 N ATOM 966 CA SER A 66 -5.356 -5.446 15.495 1.00 0.00 C ATOM 967 C SER A 66 -5.643 -3.945 15.407 1.00 0.00 C ATOM 968 O SER A 66 -5.701 -3.384 14.314 1.00 0.00 O ATOM 969 CB SER A 66 -4.252 -5.834 14.509 1.00 0.00 C ATOM 970 OG SER A 66 -3.108 -6.366 15.172 1.00 0.00 O ATOM 0 H SER A 66 -6.829 -6.275 14.256 1.00 0.00 H new ATOM 0 HA SER A 66 -5.009 -5.685 16.500 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.638 -6.570 13.804 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.960 -4.959 13.928 1.00 0.00 H new ATOM 0 HG SER A 66 -2.426 -6.603 14.509 1.00 0.00 H new ATOM 976 N SER A 67 -5.814 -3.339 16.572 1.00 0.00 N ATOM 977 CA SER A 67 -6.093 -1.915 16.641 1.00 0.00 C ATOM 978 C SER A 67 -5.091 -1.229 17.572 1.00 0.00 C ATOM 979 O SER A 67 -4.520 -1.869 18.454 1.00 0.00 O ATOM 980 CB SER A 67 -7.524 -1.656 17.118 1.00 0.00 C ATOM 981 OG SER A 67 -8.475 -1.823 16.070 1.00 0.00 O ATOM 0 H SER A 67 -5.765 -3.808 17.476 1.00 0.00 H new ATOM 0 HA SER A 67 -5.992 -1.498 15.639 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.762 -2.336 17.935 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.596 -0.643 17.515 1.00 0.00 H new ATOM 0 HG SER A 67 -9.376 -1.651 16.415 1.00 0.00 H new ATOM 987 N GLY A 68 -4.908 0.063 17.344 1.00 0.00 N ATOM 988 CA GLY A 68 -3.985 0.842 18.151 1.00 0.00 C ATOM 989 C GLY A 68 -4.613 1.215 19.496 1.00 0.00 C ATOM 990 O GLY A 68 -5.555 2.004 19.547 1.00 0.00 O ATOM 0 H GLY A 68 -5.384 0.590 16.612 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.071 0.271 18.318 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.702 1.747 17.614 1.00 0.00 H new TER 994 GLY A 68