USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 525 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 89 ASN : amide:sc= 0.382 K(o=0.86,f=0.11) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.475 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 60:sc=-0.00917 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -166:sc= -1.37 (180deg=-1.7) USER MOD Single : A 34 LYS NZ :NH3+ -152:sc= 1.23 (180deg=0.805) USER MOD Single : A 35 ASN : amide:sc= 0.662 K(o=0.66,f=-0.01) USER MOD Single : A 40 CYS SG : rot -11:sc= -0.0447 USER MOD Single : A 41 SER OG : rot 79:sc= 0.636 USER MOD Single : A 43 GLN : amide:sc= 0.997 K(o=1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 53 SER OG : rot 153:sc= 1.28 USER MOD Single : A 56 THR OG1 : rot -130:sc= -1.09 USER MOD Single : A 57 THR OG1 : rot 133:sc= 1.28 USER MOD Single : A 59 SER OG : rot -155:sc= 1.66 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -32:sc= 0.00905 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.171 K(o=0.17,f=-4.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 27 4.669 15.173 5.554 1.00 0.00 N ATOM 26 CA LYS A 27 3.699 14.401 6.363 1.00 0.00 C ATOM 27 C LYS A 27 4.316 13.280 7.185 1.00 0.00 C ATOM 28 O LYS A 27 4.010 13.098 8.368 1.00 0.00 O ATOM 29 CB LYS A 27 2.619 13.808 5.426 1.00 0.00 C ATOM 30 CG LYS A 27 1.204 13.720 6.022 1.00 0.00 C ATOM 31 CD LYS A 27 1.054 12.915 7.323 1.00 0.00 C ATOM 32 CE LYS A 27 -0.367 12.332 7.363 1.00 0.00 C ATOM 33 NZ LYS A 27 -0.621 11.556 8.604 1.00 0.00 N ATOM 0 HA LYS A 27 3.273 15.103 7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.576 14.413 4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.932 12.808 5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.848 14.734 6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.545 13.282 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.794 12.116 7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.227 13.555 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.092 13.142 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.518 11.688 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.591 11.182 8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.053 10.767 8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.503 12.175 9.431 1.00 0.00 H new ATOM 47 N ARG A 28 5.177 12.533 6.511 1.00 0.00 N ATOM 48 CA ARG A 28 5.716 11.218 6.886 1.00 0.00 C ATOM 49 C ARG A 28 4.664 10.299 7.529 1.00 0.00 C ATOM 50 O ARG A 28 4.797 9.835 8.668 1.00 0.00 O ATOM 51 CB ARG A 28 7.072 11.326 7.604 1.00 0.00 C ATOM 52 CG ARG A 28 7.854 10.033 7.339 1.00 0.00 C ATOM 53 CD ARG A 28 9.289 10.081 7.862 1.00 0.00 C ATOM 54 NE ARG A 28 9.935 8.784 7.598 1.00 0.00 N ATOM 55 CZ ARG A 28 11.031 8.271 8.114 1.00 0.00 C ATOM 56 NH1 ARG A 28 11.813 8.926 8.927 1.00 0.00 N ATOM 57 NH2 ARG A 28 11.328 7.048 7.799 1.00 0.00 N ATOM 0 H ARG A 28 5.551 12.848 5.616 1.00 0.00 H new ATOM 0 HA ARG A 28 5.962 10.683 5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.629 12.189 7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.926 11.470 8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.332 9.198 7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.871 9.839 6.266 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.842 10.884 7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.294 10.294 8.931 1.00 0.00 H new ATOM 0 HE ARG A 28 9.462 8.195 6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.586 9.885 9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.652 8.480 9.298 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.720 6.521 7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.169 6.614 8.178 1.00 0.00 H new ATOM 71 N TYR A 29 3.581 10.112 6.780 1.00 0.00 N ATOM 72 CA TYR A 29 2.410 9.297 7.110 1.00 0.00 C ATOM 73 C TYR A 29 2.716 7.805 7.186 1.00 0.00 C ATOM 74 O TYR A 29 3.802 7.342 6.839 1.00 0.00 O ATOM 75 CB TYR A 29 1.337 9.531 6.022 1.00 0.00 C ATOM 76 CG TYR A 29 1.662 8.906 4.681 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.412 7.537 4.461 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.186 9.692 3.648 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.761 6.921 3.254 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.435 9.099 2.403 1.00 0.00 C ATOM 81 CZ TYR A 29 2.244 7.711 2.204 1.00 0.00 C ATOM 82 OH TYR A 29 2.408 7.134 0.987 1.00 0.00 O ATOM 0 H TYR A 29 3.490 10.554 5.865 1.00 0.00 H new ATOM 0 HA TYR A 29 2.066 9.601 8.099 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.386 9.132 6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.202 10.604 5.886 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.942 6.952 5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.395 10.739 3.808 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.659 5.852 3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.778 9.711 1.582 1.00 0.00 H new ATOM 0 HH TYR A 29 1.547 6.791 0.669 1.00 0.00 H new ATOM 92 N ARG A 30 1.692 7.040 7.568 1.00 0.00 N ATOM 93 CA ARG A 30 1.679 5.586 7.428 1.00 0.00 C ATOM 94 C ARG A 30 0.252 5.147 7.057 1.00 0.00 C ATOM 95 O ARG A 30 -0.703 5.662 7.640 1.00 0.00 O ATOM 96 CB ARG A 30 2.264 5.000 8.717 1.00 0.00 C ATOM 97 CG ARG A 30 3.006 3.663 8.574 1.00 0.00 C ATOM 98 CD ARG A 30 2.121 2.431 8.380 1.00 0.00 C ATOM 99 NE ARG A 30 1.510 1.957 9.634 1.00 0.00 N ATOM 100 CZ ARG A 30 1.987 1.044 10.457 1.00 0.00 C ATOM 101 NH1 ARG A 30 3.183 0.536 10.348 1.00 0.00 N ATOM 102 NH2 ARG A 30 1.229 0.616 11.424 1.00 0.00 N ATOM 0 H ARG A 30 0.842 7.417 7.987 1.00 0.00 H new ATOM 0 HA ARG A 30 2.303 5.205 6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.951 5.730 9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.453 4.868 9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.687 3.735 7.726 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.618 3.511 9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.333 2.666 7.665 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.716 1.628 7.946 1.00 0.00 H new ATOM 0 HE ARG A 30 0.620 2.382 9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.801 0.843 9.597 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.501 -0.168 11.014 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.285 0.986 11.534 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.579 -0.090 12.072 1.00 0.00 H new ATOM 116 N ILE A 31 0.097 4.260 6.074 1.00 0.00 N ATOM 117 CA ILE A 31 -1.190 3.687 5.622 1.00 0.00 C ATOM 118 C ILE A 31 -1.237 2.189 5.840 1.00 0.00 C ATOM 119 O ILE A 31 -0.194 1.572 5.938 1.00 0.00 O ATOM 120 CB ILE A 31 -1.512 3.983 4.140 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.548 3.320 3.134 1.00 0.00 C ATOM 122 CG2 ILE A 31 -1.597 5.480 3.879 1.00 0.00 C ATOM 123 CD1 ILE A 31 -0.948 3.524 1.666 1.00 0.00 C ATOM 0 H ILE A 31 0.891 3.901 5.544 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.946 4.179 6.233 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.488 3.528 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.454 3.721 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.499 2.251 3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.825 5.654 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.384 5.913 4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.644 5.947 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.223 3.030 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.937 3.098 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.969 4.590 1.439 1.00 0.00 H new ATOM 135 N THR A 32 -2.439 1.627 5.807 1.00 0.00 N ATOM 136 CA THR A 32 -2.804 0.202 5.780 1.00 0.00 C ATOM 137 C THR A 32 -3.306 -0.131 4.395 1.00 0.00 C ATOM 138 O THR A 32 -4.086 0.619 3.802 1.00 0.00 O ATOM 139 CB THR A 32 -3.900 -0.046 6.802 1.00 0.00 C ATOM 140 OG1 THR A 32 -3.282 -0.031 8.076 1.00 0.00 O ATOM 141 CG2 THR A 32 -4.597 -1.395 6.710 1.00 0.00 C ATOM 0 H THR A 32 -3.274 2.213 5.797 1.00 0.00 H new ATOM 0 HA THR A 32 -1.944 -0.422 6.021 1.00 0.00 H new ATOM 0 HB THR A 32 -4.653 0.721 6.623 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.957 -0.186 8.769 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.360 -1.464 7.486 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.065 -1.497 5.731 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.866 -2.192 6.847 1.00 0.00 H new ATOM 149 N MET A 33 -2.885 -1.300 3.920 1.00 0.00 N ATOM 150 CA MET A 33 -3.348 -1.924 2.694 1.00 0.00 C ATOM 151 C MET A 33 -3.675 -3.366 3.034 1.00 0.00 C ATOM 152 O MET A 33 -2.825 -4.153 3.455 1.00 0.00 O ATOM 153 CB MET A 33 -2.328 -1.793 1.557 1.00 0.00 C ATOM 154 CG MET A 33 -1.762 -0.370 1.434 1.00 0.00 C ATOM 155 SD MET A 33 -1.169 0.213 -0.175 1.00 0.00 S ATOM 156 CE MET A 33 -0.574 -1.332 -0.882 1.00 0.00 C ATOM 0 H MET A 33 -2.182 -1.859 4.403 1.00 0.00 H new ATOM 0 HA MET A 33 -4.238 -1.421 2.315 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.509 -2.493 1.726 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.800 -2.075 0.616 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.537 0.320 1.767 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.935 -0.285 2.138 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.042 -1.119 -1.755 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.020 -1.867 -0.141 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.423 -1.947 -1.179 1.00 0.00 H new ATOM 166 N LYS A 34 -4.957 -3.676 2.911 1.00 0.00 N ATOM 167 CA LYS A 34 -5.585 -4.804 3.571 1.00 0.00 C ATOM 168 C LYS A 34 -6.884 -5.188 2.920 1.00 0.00 C ATOM 169 O LYS A 34 -7.543 -4.330 2.345 1.00 0.00 O ATOM 170 CB LYS A 34 -5.977 -4.115 4.888 1.00 0.00 C ATOM 171 CG LYS A 34 -6.919 -4.740 5.889 1.00 0.00 C ATOM 172 CD LYS A 34 -8.352 -4.168 5.754 1.00 0.00 C ATOM 173 CE LYS A 34 -8.424 -2.813 6.486 1.00 0.00 C ATOM 174 NZ LYS A 34 -9.680 -2.073 6.208 1.00 0.00 N ATOM 0 H LYS A 34 -5.602 -3.135 2.335 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.956 -5.694 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.048 -3.912 5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.407 -3.150 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.942 -5.820 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.549 -4.562 6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.609 -4.042 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.076 -4.864 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.337 -2.981 7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.573 -2.200 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.508 -1.051 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.002 -2.287 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.411 -2.362 6.889 1.00 0.00 H new ATOM 188 N ASN A 35 -7.296 -6.426 3.112 1.00 0.00 N ATOM 189 CA ASN A 35 -8.654 -6.897 2.873 1.00 0.00 C ATOM 190 C ASN A 35 -8.681 -8.428 3.142 1.00 0.00 C ATOM 191 O ASN A 35 -7.627 -9.064 3.109 1.00 0.00 O ATOM 192 CB ASN A 35 -9.146 -6.486 1.472 1.00 0.00 C ATOM 193 CG ASN A 35 -10.325 -7.269 0.938 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.397 -7.306 1.528 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.150 -7.928 -0.169 1.00 0.00 N ATOM 0 H ASN A 35 -6.675 -7.161 3.451 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.363 -6.427 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.415 -5.430 1.496 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.317 -6.588 0.771 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.911 -8.485 -0.557 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.251 -7.888 -0.650 1.00 0.00 H new ATOM 257 N CYS A 40 -0.563 -11.035 2.251 1.00 0.00 N ATOM 258 CA CYS A 40 0.527 -10.385 1.518 1.00 0.00 C ATOM 259 C CYS A 40 1.929 -10.401 2.161 1.00 0.00 C ATOM 260 O CYS A 40 2.109 -10.525 3.383 1.00 0.00 O ATOM 261 CB CYS A 40 0.104 -8.950 1.138 1.00 0.00 C ATOM 262 SG CYS A 40 -0.505 -7.998 2.563 1.00 0.00 S ATOM 0 HA CYS A 40 0.670 -11.010 0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.954 -8.430 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.675 -8.995 0.376 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.687 -8.796 3.573 1.00 0.00 H new ATOM 268 N SER A 41 2.922 -10.153 1.301 1.00 0.00 N ATOM 269 CA SER A 41 4.335 -9.911 1.640 1.00 0.00 C ATOM 270 C SER A 41 4.765 -8.546 1.079 1.00 0.00 C ATOM 271 O SER A 41 4.131 -8.012 0.160 1.00 0.00 O ATOM 272 CB SER A 41 5.252 -10.995 1.033 1.00 0.00 C ATOM 273 OG SER A 41 4.639 -12.266 0.906 1.00 0.00 O ATOM 0 H SER A 41 2.757 -10.113 0.295 1.00 0.00 H new ATOM 0 HA SER A 41 4.429 -9.935 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.586 -10.664 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.142 -11.093 1.655 1.00 0.00 H new ATOM 0 HG SER A 41 4.054 -12.270 0.120 1.00 0.00 H new ATOM 279 N TRP A 42 5.869 -7.970 1.574 1.00 0.00 N ATOM 280 CA TRP A 42 6.324 -6.681 1.035 1.00 0.00 C ATOM 281 C TRP A 42 6.632 -6.746 -0.455 1.00 0.00 C ATOM 282 O TRP A 42 6.183 -5.883 -1.202 1.00 0.00 O ATOM 283 CB TRP A 42 7.489 -6.064 1.814 1.00 0.00 C ATOM 284 CG TRP A 42 7.992 -4.748 1.277 1.00 0.00 C ATOM 285 CD1 TRP A 42 9.270 -4.306 1.348 1.00 0.00 C ATOM 286 CD2 TRP A 42 7.249 -3.677 0.606 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.383 -3.090 0.704 1.00 0.00 N ATOM 288 CE2 TRP A 42 8.172 -2.666 0.203 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.882 -3.431 0.343 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.774 -1.530 -0.512 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.473 -2.314 -0.387 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.416 -1.380 -0.826 1.00 0.00 C ATOM 0 H TRP A 42 6.446 -8.359 2.320 1.00 0.00 H new ATOM 0 HA TRP A 42 5.476 -6.010 1.169 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.179 -5.921 2.849 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.316 -6.774 1.824 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.080 -4.827 1.836 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.255 -2.570 0.611 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.139 -4.121 0.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.496 -0.786 -0.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.427 -2.171 -0.613 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.095 -0.533 -1.414 1.00 0.00 H new ATOM 303 N GLN A 43 7.285 -7.808 -0.931 1.00 0.00 N ATOM 304 CA GLN A 43 7.550 -7.942 -2.368 1.00 0.00 C ATOM 305 C GLN A 43 6.308 -7.913 -3.254 1.00 0.00 C ATOM 306 O GLN A 43 6.344 -7.413 -4.382 1.00 0.00 O ATOM 307 CB GLN A 43 8.423 -9.175 -2.658 1.00 0.00 C ATOM 308 CG GLN A 43 7.798 -10.509 -2.194 1.00 0.00 C ATOM 309 CD GLN A 43 8.034 -11.646 -3.191 1.00 0.00 C ATOM 310 OE1 GLN A 43 9.159 -12.056 -3.454 1.00 0.00 O ATOM 311 NE2 GLN A 43 6.995 -12.195 -3.788 1.00 0.00 N ATOM 0 H GLN A 43 7.635 -8.575 -0.357 1.00 0.00 H new ATOM 0 HA GLN A 43 8.105 -7.044 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.614 -9.228 -3.730 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.388 -9.048 -2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.217 -10.786 -1.227 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.726 -10.373 -2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.053 -11.864 -3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.133 -12.951 -4.459 1.00 0.00 H new ATOM 320 N ASP A 44 5.197 -8.384 -2.706 1.00 0.00 N ATOM 321 CA ASP A 44 3.933 -8.476 -3.399 1.00 0.00 C ATOM 322 C ASP A 44 3.293 -7.093 -3.481 1.00 0.00 C ATOM 323 O ASP A 44 2.914 -6.611 -4.553 1.00 0.00 O ATOM 324 CB ASP A 44 3.046 -9.415 -2.591 1.00 0.00 C ATOM 325 CG ASP A 44 3.545 -10.863 -2.479 1.00 0.00 C ATOM 326 OD1 ASP A 44 4.290 -11.346 -3.367 1.00 0.00 O ATOM 327 OD2 ASP A 44 3.193 -11.513 -1.468 1.00 0.00 O ATOM 0 H ASP A 44 5.155 -8.719 -1.744 1.00 0.00 H new ATOM 0 HA ASP A 44 4.067 -8.851 -4.414 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.937 -9.008 -1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.053 -9.425 -3.040 1.00 0.00 H new ATOM 332 N LEU A 45 3.220 -6.429 -2.336 1.00 0.00 N ATOM 333 CA LEU A 45 2.654 -5.098 -2.246 1.00 0.00 C ATOM 334 C LEU A 45 3.455 -4.051 -3.012 1.00 0.00 C ATOM 335 O LEU A 45 2.842 -3.230 -3.681 1.00 0.00 O ATOM 336 CB LEU A 45 2.544 -4.754 -0.775 1.00 0.00 C ATOM 337 CG LEU A 45 1.261 -5.335 -0.174 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.242 -4.825 1.243 1.00 0.00 C ATOM 339 CD2 LEU A 45 -0.033 -4.904 -0.875 1.00 0.00 C ATOM 0 H LEU A 45 3.552 -6.801 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 45 1.672 -5.093 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.410 -5.144 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.552 -3.671 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 45 1.281 -6.420 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.351 -5.195 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.131 -5.175 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.230 -3.735 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.887 -5.366 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.129 -3.819 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.005 -5.220 -1.918 1.00 0.00 H new ATOM 351 N LYS A 46 4.790 -4.121 -2.945 1.00 0.00 N ATOM 352 CA LYS A 46 5.725 -3.378 -3.807 1.00 0.00 C ATOM 353 C LYS A 46 5.336 -3.601 -5.237 1.00 0.00 C ATOM 354 O LYS A 46 5.002 -2.623 -5.892 1.00 0.00 O ATOM 355 CB LYS A 46 7.145 -3.863 -3.525 1.00 0.00 C ATOM 356 CG LYS A 46 8.194 -3.255 -4.478 1.00 0.00 C ATOM 357 CD LYS A 46 9.391 -4.195 -4.541 1.00 0.00 C ATOM 358 CE LYS A 46 9.093 -5.417 -5.434 1.00 0.00 C ATOM 359 NZ LYS A 46 10.210 -6.398 -5.429 1.00 0.00 N ATOM 0 H LYS A 46 5.268 -4.715 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 46 5.686 -2.308 -3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.410 -3.614 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.174 -4.949 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.768 -3.117 -5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.503 -2.271 -4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.257 -3.660 -4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.648 -4.530 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.181 -5.904 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.909 -5.083 -6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.968 -7.203 -6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.075 -5.941 -5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.370 -6.737 -4.459 1.00 0.00 H new ATOM 373 N ASP A 47 5.345 -4.845 -5.715 1.00 0.00 N ATOM 374 CA ASP A 47 5.038 -5.150 -7.105 1.00 0.00 C ATOM 375 C ASP A 47 3.775 -4.461 -7.587 1.00 0.00 C ATOM 376 O ASP A 47 3.844 -3.657 -8.523 1.00 0.00 O ATOM 377 CB ASP A 47 4.962 -6.674 -7.286 1.00 0.00 C ATOM 378 CG ASP A 47 4.181 -7.151 -8.511 1.00 0.00 C ATOM 379 OD1 ASP A 47 4.535 -6.798 -9.653 1.00 0.00 O ATOM 380 OD2 ASP A 47 3.207 -7.916 -8.344 1.00 0.00 O ATOM 0 H ASP A 47 5.565 -5.664 -5.149 1.00 0.00 H new ATOM 0 HA ASP A 47 5.842 -4.757 -7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.977 -7.067 -7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.507 -7.106 -6.395 1.00 0.00 H new ATOM 385 N LEU A 48 2.660 -4.678 -6.887 1.00 0.00 N ATOM 386 CA LEU A 48 1.448 -3.981 -7.270 1.00 0.00 C ATOM 387 C LEU A 48 1.630 -2.465 -7.201 1.00 0.00 C ATOM 388 O LEU A 48 1.259 -1.765 -8.139 1.00 0.00 O ATOM 389 CB LEU A 48 0.219 -4.491 -6.504 1.00 0.00 C ATOM 390 CG LEU A 48 -1.076 -3.736 -6.875 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.332 -4.469 -6.438 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.164 -2.392 -6.191 1.00 0.00 C ATOM 0 H LEU A 48 2.577 -5.305 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 48 1.248 -4.213 -8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.085 -5.553 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.397 -4.392 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.024 -3.645 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.210 -3.890 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.368 -5.447 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.321 -4.597 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.090 -1.896 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.150 -2.532 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.315 -1.776 -6.488 1.00 0.00 H new ATOM 404 N ALA A 49 2.198 -1.916 -6.142 1.00 0.00 N ATOM 405 CA ALA A 49 2.447 -0.487 -6.056 1.00 0.00 C ATOM 406 C ALA A 49 3.182 0.084 -7.283 1.00 0.00 C ATOM 407 O ALA A 49 2.780 1.135 -7.793 1.00 0.00 O ATOM 408 CB ALA A 49 3.176 -0.234 -4.744 1.00 0.00 C ATOM 0 H ALA A 49 2.498 -2.444 -5.322 1.00 0.00 H new ATOM 0 HA ALA A 49 1.500 0.052 -6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.382 0.831 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.554 -0.565 -3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.115 -0.787 -4.737 1.00 0.00 H new ATOM 414 N ARG A 50 4.168 -0.647 -7.824 1.00 0.00 N ATOM 415 CA ARG A 50 4.884 -0.268 -9.056 1.00 0.00 C ATOM 416 C ARG A 50 3.979 -0.377 -10.292 1.00 0.00 C ATOM 417 O ARG A 50 4.115 0.413 -11.222 1.00 0.00 O ATOM 418 CB ARG A 50 6.185 -1.068 -9.267 1.00 0.00 C ATOM 419 CG ARG A 50 6.934 -1.484 -7.995 1.00 0.00 C ATOM 420 CD ARG A 50 7.149 -0.429 -6.902 1.00 0.00 C ATOM 421 NE ARG A 50 8.436 0.278 -7.089 1.00 0.00 N ATOM 422 CZ ARG A 50 8.665 1.523 -7.474 1.00 0.00 C ATOM 423 NH1 ARG A 50 7.751 2.425 -7.659 1.00 0.00 N ATOM 424 NH2 ARG A 50 9.876 1.938 -7.690 1.00 0.00 N ATOM 0 H ARG A 50 4.495 -1.524 -7.418 1.00 0.00 H new ATOM 0 HA ARG A 50 5.169 0.776 -8.925 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.947 -1.967 -9.835 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.859 -0.472 -9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.395 -2.320 -7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.913 -1.859 -8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.330 0.290 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.132 -0.907 -5.923 1.00 0.00 H new ATOM 0 HE ARG A 50 9.269 -0.276 -6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.769 2.195 -7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.014 3.364 -7.957 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.663 1.302 -7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.040 2.900 -7.987 1.00 0.00 H new ATOM 438 N GLU A 51 3.025 -1.313 -10.275 1.00 0.00 N ATOM 439 CA GLU A 51 1.933 -1.407 -11.269 1.00 0.00 C ATOM 440 C GLU A 51 1.004 -0.200 -11.298 1.00 0.00 C ATOM 441 O GLU A 51 0.471 0.187 -12.343 1.00 0.00 O ATOM 442 CB GLU A 51 0.999 -2.614 -11.044 1.00 0.00 C ATOM 443 CG GLU A 51 1.719 -3.955 -11.094 1.00 0.00 C ATOM 444 CD GLU A 51 1.968 -4.426 -12.543 1.00 0.00 C ATOM 445 OE1 GLU A 51 2.760 -3.794 -13.277 1.00 0.00 O ATOM 446 OE2 GLU A 51 1.383 -5.463 -12.937 1.00 0.00 O ATOM 0 H GLU A 51 2.982 -2.041 -9.562 1.00 0.00 H new ATOM 0 HA GLU A 51 2.490 -1.493 -12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.509 -2.509 -10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.215 -2.603 -11.801 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.672 -3.874 -10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.128 -4.703 -10.566 1.00 0.00 H new ATOM 453 N ASN A 52 0.800 0.363 -10.120 1.00 0.00 N ATOM 454 CA ASN A 52 -0.291 1.273 -9.848 1.00 0.00 C ATOM 455 C ASN A 52 0.041 2.771 -9.904 1.00 0.00 C ATOM 456 O ASN A 52 -0.726 3.509 -10.521 1.00 0.00 O ATOM 457 CB ASN A 52 -0.834 0.782 -8.498 1.00 0.00 C ATOM 458 CG ASN A 52 -2.067 -0.070 -8.705 1.00 0.00 C ATOM 459 OD1 ASN A 52 -1.870 -1.318 -9.046 1.00 0.00 O flip ATOM 460 ND2 ASN A 52 -3.200 0.371 -8.620 1.00 0.00 N flip ATOM 0 H ASN A 52 1.401 0.195 -9.313 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.038 1.240 -10.641 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.069 0.205 -7.979 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.076 1.635 -7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.350 1.344 -8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.998 -0.233 -8.815 1.00 0.00 H new ATOM 467 N SER A 53 1.176 3.187 -9.322 1.00 0.00 N ATOM 468 CA SER A 53 1.718 4.565 -9.237 1.00 0.00 C ATOM 469 C SER A 53 2.604 4.807 -8.013 1.00 0.00 C ATOM 470 O SER A 53 3.275 5.841 -7.926 1.00 0.00 O ATOM 471 CB SER A 53 0.651 5.673 -9.204 1.00 0.00 C ATOM 472 OG SER A 53 -0.209 5.524 -8.081 1.00 0.00 O ATOM 0 H SER A 53 1.793 2.520 -8.859 1.00 0.00 H new ATOM 0 HA SER A 53 2.297 4.626 -10.159 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.136 6.648 -9.167 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.064 5.644 -10.122 1.00 0.00 H new ATOM 0 HG SER A 53 -0.563 6.400 -7.822 1.00 0.00 H new ATOM 478 N LEU A 54 2.589 3.890 -7.045 1.00 0.00 N ATOM 479 CA LEU A 54 3.223 4.108 -5.754 1.00 0.00 C ATOM 480 C LEU A 54 4.728 3.900 -5.892 1.00 0.00 C ATOM 481 O LEU A 54 5.235 3.022 -6.590 1.00 0.00 O ATOM 482 CB LEU A 54 2.676 3.151 -4.685 1.00 0.00 C ATOM 483 CG LEU A 54 1.226 3.253 -4.173 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.134 2.747 -2.718 1.00 0.00 C ATOM 485 CD2 LEU A 54 0.632 4.657 -4.280 1.00 0.00 C ATOM 0 H LEU A 54 2.138 2.980 -7.138 1.00 0.00 H new ATOM 0 HA LEU A 54 3.005 5.128 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.804 2.140 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.326 3.245 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 54 0.629 2.618 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.104 2.825 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.454 1.706 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.779 3.352 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.390 4.650 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.232 5.352 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.629 4.972 -5.323 1.00 0.00 H new ATOM 497 N GLU A 55 5.416 4.711 -5.109 1.00 0.00 N ATOM 498 CA GLU A 55 6.867 4.767 -4.941 1.00 0.00 C ATOM 499 C GLU A 55 7.197 5.148 -3.489 1.00 0.00 C ATOM 500 O GLU A 55 8.027 5.995 -3.162 1.00 0.00 O ATOM 501 CB GLU A 55 7.470 5.698 -5.994 1.00 0.00 C ATOM 502 CG GLU A 55 8.995 5.578 -5.954 1.00 0.00 C ATOM 503 CD GLU A 55 9.604 5.674 -7.363 1.00 0.00 C ATOM 504 OE1 GLU A 55 9.509 4.667 -8.112 1.00 0.00 O ATOM 505 OE2 GLU A 55 10.178 6.730 -7.722 1.00 0.00 O ATOM 0 H GLU A 55 4.944 5.403 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 55 7.324 3.792 -5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.098 5.436 -6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.169 6.728 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.407 6.366 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.275 4.628 -5.499 1.00 0.00 H new ATOM 512 N THR A 56 6.431 4.519 -2.615 1.00 0.00 N ATOM 513 CA THR A 56 6.505 4.612 -1.163 1.00 0.00 C ATOM 514 C THR A 56 7.900 4.213 -0.638 1.00 0.00 C ATOM 515 O THR A 56 8.608 3.420 -1.265 1.00 0.00 O ATOM 516 CB THR A 56 5.443 3.682 -0.563 1.00 0.00 C ATOM 517 OG1 THR A 56 5.566 2.385 -1.113 1.00 0.00 O ATOM 518 CG2 THR A 56 4.001 4.089 -0.798 1.00 0.00 C ATOM 0 H THR A 56 5.690 3.887 -2.919 1.00 0.00 H new ATOM 0 HA THR A 56 6.326 5.646 -0.868 1.00 0.00 H new ATOM 0 HB THR A 56 5.639 3.731 0.508 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.689 2.078 -1.425 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.337 3.362 -0.331 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.825 5.073 -0.363 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.803 4.126 -1.869 1.00 0.00 H new ATOM 526 N THR A 57 8.304 4.720 0.522 1.00 0.00 N ATOM 527 CA THR A 57 9.636 4.471 1.107 1.00 0.00 C ATOM 528 C THR A 57 9.783 3.028 1.563 1.00 0.00 C ATOM 529 O THR A 57 10.782 2.367 1.268 1.00 0.00 O ATOM 530 CB THR A 57 9.869 5.319 2.369 1.00 0.00 C ATOM 531 OG1 THR A 57 9.471 6.648 2.171 1.00 0.00 O ATOM 532 CG2 THR A 57 11.329 5.345 2.823 1.00 0.00 C ATOM 0 H THR A 57 7.716 5.324 1.097 1.00 0.00 H new ATOM 0 HA THR A 57 10.348 4.720 0.320 1.00 0.00 H new ATOM 0 HB THR A 57 9.267 4.839 3.140 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.931 6.945 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.421 5.961 3.718 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.659 4.330 3.046 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.949 5.762 2.030 1.00 0.00 H new ATOM 540 N PHE A 58 8.790 2.559 2.321 1.00 0.00 N ATOM 541 CA PHE A 58 8.862 1.311 3.070 1.00 0.00 C ATOM 542 C PHE A 58 7.491 0.806 3.510 1.00 0.00 C ATOM 543 O PHE A 58 6.487 1.505 3.368 1.00 0.00 O ATOM 544 CB PHE A 58 9.800 1.532 4.275 1.00 0.00 C ATOM 545 CG PHE A 58 9.230 1.824 5.660 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.985 0.766 6.554 1.00 0.00 C ATOM 547 CD2 PHE A 58 9.049 3.146 6.099 1.00 0.00 C ATOM 548 CE1 PHE A 58 8.488 1.016 7.848 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.570 3.400 7.398 1.00 0.00 C ATOM 550 CZ PHE A 58 8.274 2.337 8.266 1.00 0.00 C ATOM 0 H PHE A 58 7.901 3.046 2.431 1.00 0.00 H new ATOM 0 HA PHE A 58 9.259 0.530 2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.422 0.642 4.365 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.462 2.359 4.019 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.180 -0.250 6.245 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.278 3.969 5.438 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.273 0.194 8.515 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.429 4.418 7.729 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.883 2.536 9.253 1.00 0.00 H new ATOM 560 N SER A 59 7.470 -0.406 4.063 1.00 0.00 N ATOM 561 CA SER A 59 6.262 -1.130 4.443 1.00 0.00 C ATOM 562 C SER A 59 6.414 -1.903 5.770 1.00 0.00 C ATOM 563 O SER A 59 7.514 -2.085 6.301 1.00 0.00 O ATOM 564 CB SER A 59 5.932 -2.107 3.307 1.00 0.00 C ATOM 565 OG SER A 59 6.667 -3.291 3.524 1.00 0.00 O ATOM 0 H SER A 59 8.323 -0.927 4.265 1.00 0.00 H new ATOM 0 HA SER A 59 5.461 -0.408 4.602 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.863 -2.320 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.189 -1.670 2.342 1.00 0.00 H new ATOM 0 HG SER A 59 6.803 -3.753 2.670 1.00 0.00 H new ATOM 571 N SER A 60 5.298 -2.425 6.273 1.00 0.00 N ATOM 572 CA SER A 60 5.222 -3.380 7.392 1.00 0.00 C ATOM 573 C SER A 60 4.213 -4.469 7.032 1.00 0.00 C ATOM 574 O SER A 60 3.007 -4.249 7.136 1.00 0.00 O ATOM 575 CB SER A 60 4.801 -2.677 8.682 1.00 0.00 C ATOM 576 OG SER A 60 5.865 -1.893 9.198 1.00 0.00 O ATOM 0 H SER A 60 4.378 -2.188 5.901 1.00 0.00 H new ATOM 0 HA SER A 60 6.205 -3.820 7.560 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.936 -2.043 8.490 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.496 -3.417 9.422 1.00 0.00 H new ATOM 0 HG SER A 60 5.575 -1.450 10.023 1.00 0.00 H new ATOM 582 N VAL A 61 4.712 -5.611 6.548 1.00 0.00 N ATOM 583 CA VAL A 61 3.933 -6.736 5.979 1.00 0.00 C ATOM 584 C VAL A 61 4.458 -8.071 6.509 1.00 0.00 C ATOM 585 O VAL A 61 5.340 -8.080 7.369 1.00 0.00 O ATOM 586 CB VAL A 61 3.952 -6.749 4.427 1.00 0.00 C ATOM 587 CG1 VAL A 61 2.658 -7.275 3.800 1.00 0.00 C ATOM 588 CG2 VAL A 61 4.221 -5.389 3.790 1.00 0.00 C ATOM 0 H VAL A 61 5.716 -5.793 6.538 1.00 0.00 H new ATOM 0 HA VAL A 61 2.900 -6.593 6.295 1.00 0.00 H new ATOM 0 HB VAL A 61 4.780 -7.426 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.745 -7.254 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.483 -8.299 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.823 -6.647 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.217 -5.488 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.445 -4.686 4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.193 -5.020 4.117 1.00 0.00 H new ATOM 701 N THR A 69 -1.807 -8.139 6.045 1.00 0.00 N ATOM 702 CA THR A 69 -1.964 -6.769 5.530 1.00 0.00 C ATOM 703 C THR A 69 -0.577 -6.138 5.467 1.00 0.00 C ATOM 704 O THR A 69 0.371 -6.639 6.081 1.00 0.00 O ATOM 705 CB THR A 69 -2.873 -5.916 6.431 1.00 0.00 C ATOM 706 OG1 THR A 69 -2.282 -5.715 7.691 1.00 0.00 O ATOM 707 CG2 THR A 69 -4.221 -6.587 6.652 1.00 0.00 C ATOM 0 HA THR A 69 -2.432 -6.810 4.546 1.00 0.00 H new ATOM 0 HB THR A 69 -3.013 -4.963 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.741 -6.497 7.927 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.840 -5.959 7.293 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.719 -6.728 5.693 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.071 -7.556 7.129 1.00 0.00 H new ATOM 715 N GLY A 70 -0.442 -5.037 4.730 1.00 0.00 N ATOM 716 CA GLY A 70 0.811 -4.304 4.637 1.00 0.00 C ATOM 717 C GLY A 70 0.616 -2.825 4.839 1.00 0.00 C ATOM 718 O GLY A 70 -0.261 -2.221 4.221 1.00 0.00 O ATOM 0 H GLY A 70 -1.200 -4.631 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.509 -4.683 5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.262 -4.480 3.661 1.00 0.00 H new ATOM 722 N ALA A 71 1.449 -2.245 5.690 1.00 0.00 N ATOM 723 CA ALA A 71 1.296 -0.868 6.112 1.00 0.00 C ATOM 724 C ALA A 71 2.476 -0.019 5.608 1.00 0.00 C ATOM 725 O ALA A 71 3.609 -0.195 6.052 1.00 0.00 O ATOM 726 CB ALA A 71 1.057 -0.854 7.622 1.00 0.00 C ATOM 0 H ALA A 71 2.250 -2.720 6.106 1.00 0.00 H new ATOM 0 HA ALA A 71 0.424 -0.393 5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.939 0.175 7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.154 -1.419 7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.908 -1.308 8.129 1.00 0.00 H new ATOM 732 N LEU A 72 2.210 0.837 4.619 1.00 0.00 N ATOM 733 CA LEU A 72 3.182 1.588 3.810 1.00 0.00 C ATOM 734 C LEU A 72 3.476 2.975 4.400 1.00 0.00 C ATOM 735 O LEU A 72 2.688 3.509 5.176 1.00 0.00 O ATOM 736 CB LEU A 72 2.627 1.730 2.399 1.00 0.00 C ATOM 737 CG LEU A 72 2.902 0.539 1.468 1.00 0.00 C ATOM 738 CD1 LEU A 72 4.389 0.488 1.155 1.00 0.00 C ATOM 739 CD2 LEU A 72 2.424 -0.827 1.966 1.00 0.00 C ATOM 0 H LEU A 72 1.250 1.039 4.341 1.00 0.00 H new ATOM 0 HA LEU A 72 4.124 1.039 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.549 1.880 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.048 2.629 1.948 1.00 0.00 H new ATOM 0 HG LEU A 72 2.304 0.725 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.593 -0.355 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.690 1.414 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.952 0.368 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.672 -1.590 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.915 -1.062 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.344 -0.803 2.115 1.00 0.00 H new ATOM 751 N GLU A 73 4.567 3.592 3.949 1.00 0.00 N ATOM 752 CA GLU A 73 4.989 4.954 4.353 1.00 0.00 C ATOM 753 C GLU A 73 5.547 5.797 3.191 1.00 0.00 C ATOM 754 O GLU A 73 6.184 5.260 2.284 1.00 0.00 O ATOM 755 CB GLU A 73 6.104 4.825 5.420 1.00 0.00 C ATOM 756 CG GLU A 73 6.624 6.150 6.023 1.00 0.00 C ATOM 757 CD GLU A 73 8.042 6.553 5.573 1.00 0.00 C ATOM 758 OE1 GLU A 73 8.210 7.059 4.447 1.00 0.00 O ATOM 759 OE2 GLU A 73 8.996 6.450 6.383 1.00 0.00 O ATOM 0 H GLU A 73 5.203 3.160 3.279 1.00 0.00 H new ATOM 0 HA GLU A 73 4.101 5.461 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.731 4.201 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.947 4.297 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.933 6.950 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.613 6.067 7.110 1.00 0.00 H new ATOM 766 N PHE A 74 5.355 7.120 3.238 1.00 0.00 N ATOM 767 CA PHE A 74 6.094 8.084 2.415 1.00 0.00 C ATOM 768 C PHE A 74 6.269 9.421 3.164 1.00 0.00 C ATOM 769 O PHE A 74 5.352 9.820 3.885 1.00 0.00 O ATOM 770 CB PHE A 74 5.407 8.379 1.070 1.00 0.00 C ATOM 771 CG PHE A 74 6.392 8.864 0.013 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.484 8.071 -0.380 1.00 0.00 C ATOM 773 CD2 PHE A 74 6.295 10.176 -0.474 1.00 0.00 C ATOM 774 CE1 PHE A 74 8.462 8.581 -1.252 1.00 0.00 C ATOM 775 CE2 PHE A 74 7.265 10.693 -1.350 1.00 0.00 C ATOM 776 CZ PHE A 74 8.354 9.894 -1.739 1.00 0.00 C ATOM 0 H PHE A 74 4.673 7.557 3.857 1.00 0.00 H new ATOM 0 HA PHE A 74 7.060 7.620 2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.909 7.477 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.634 9.133 1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.573 7.061 -0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.464 10.797 -0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.297 7.963 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.174 11.702 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.104 10.288 -2.409 1.00 0.00 H new ATOM 786 N PRO A 75 7.356 10.190 2.934 1.00 0.00 N ATOM 787 CA PRO A 75 7.501 11.561 3.426 1.00 0.00 C ATOM 788 C PRO A 75 6.396 12.548 3.020 1.00 0.00 C ATOM 789 O PRO A 75 6.177 13.504 3.767 1.00 0.00 O ATOM 790 CB PRO A 75 8.889 12.035 2.971 1.00 0.00 C ATOM 791 CG PRO A 75 9.333 11.020 1.928 1.00 0.00 C ATOM 792 CD PRO A 75 8.633 9.755 2.390 1.00 0.00 C ATOM 0 HA PRO A 75 7.398 11.543 4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.844 13.039 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.587 12.071 3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.028 11.310 0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.416 10.902 1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.490 9.061 1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.223 9.234 3.144 1.00 0.00 H new ATOM 800 N SER A 76 5.655 12.321 1.924 1.00 0.00 N ATOM 801 CA SER A 76 4.656 13.272 1.411 1.00 0.00 C ATOM 802 C SER A 76 3.295 12.649 1.219 1.00 0.00 C ATOM 803 O SER A 76 3.168 11.659 0.498 1.00 0.00 O ATOM 804 CB SER A 76 5.051 13.766 0.027 1.00 0.00 C ATOM 805 OG SER A 76 6.210 14.568 0.057 1.00 0.00 O ATOM 0 H SER A 76 5.732 11.470 1.367 1.00 0.00 H new ATOM 0 HA SER A 76 4.616 14.067 2.156 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.220 12.911 -0.627 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.227 14.337 -0.402 1.00 0.00 H new ATOM 0 HG SER A 76 6.428 14.862 -0.852 1.00 0.00 H new ATOM 811 N GLU A 77 2.263 13.315 1.737 1.00 0.00 N ATOM 812 CA GLU A 77 0.864 12.898 1.594 1.00 0.00 C ATOM 813 C GLU A 77 0.410 12.660 0.145 1.00 0.00 C ATOM 814 O GLU A 77 -0.551 11.936 -0.065 1.00 0.00 O ATOM 815 CB GLU A 77 -0.074 13.879 2.312 1.00 0.00 C ATOM 816 CG GLU A 77 -0.088 15.289 1.706 1.00 0.00 C ATOM 817 CD GLU A 77 -0.868 16.260 2.614 1.00 0.00 C ATOM 818 OE1 GLU A 77 -0.271 16.809 3.576 1.00 0.00 O ATOM 819 OE2 GLU A 77 -2.079 16.489 2.376 1.00 0.00 O ATOM 0 H GLU A 77 2.375 14.173 2.277 1.00 0.00 H new ATOM 0 HA GLU A 77 0.804 11.921 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.087 13.477 2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.222 13.948 3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.934 15.645 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.544 15.261 0.717 1.00 0.00 H new ATOM 826 N GLU A 78 1.130 13.206 -0.827 1.00 0.00 N ATOM 827 CA GLU A 78 0.988 12.912 -2.255 1.00 0.00 C ATOM 828 C GLU A 78 0.804 11.402 -2.522 1.00 0.00 C ATOM 829 O GLU A 78 -0.202 11.005 -3.111 1.00 0.00 O ATOM 830 CB GLU A 78 2.242 13.433 -2.992 1.00 0.00 C ATOM 831 CG GLU A 78 2.462 14.951 -2.875 1.00 0.00 C ATOM 832 CD GLU A 78 3.819 15.368 -3.480 1.00 0.00 C ATOM 833 OE1 GLU A 78 3.973 15.336 -4.722 1.00 0.00 O ATOM 834 OE2 GLU A 78 4.738 15.744 -2.712 1.00 0.00 O ATOM 0 H GLU A 78 1.859 13.894 -0.639 1.00 0.00 H new ATOM 0 HA GLU A 78 0.092 13.411 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.119 12.919 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.164 13.169 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.656 15.478 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.422 15.247 -1.827 1.00 0.00 H new ATOM 841 N ILE A 79 1.729 10.558 -2.039 1.00 0.00 N ATOM 842 CA ILE A 79 1.748 9.095 -2.272 1.00 0.00 C ATOM 843 C ILE A 79 0.649 8.377 -1.461 1.00 0.00 C ATOM 844 O ILE A 79 0.059 7.392 -1.921 1.00 0.00 O ATOM 845 CB ILE A 79 3.167 8.538 -1.971 1.00 0.00 C ATOM 846 CG1 ILE A 79 4.190 9.336 -2.818 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.298 7.011 -2.166 1.00 0.00 C ATOM 848 CD1 ILE A 79 5.431 8.614 -3.352 1.00 0.00 C ATOM 0 H ILE A 79 2.506 10.876 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 79 1.523 8.899 -3.320 1.00 0.00 H new ATOM 0 HB ILE A 79 3.373 8.679 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.657 9.752 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.532 10.178 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.317 6.701 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.604 6.498 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.065 6.755 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.042 9.314 -3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.012 8.223 -2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.124 7.791 -3.997 1.00 0.00 H new ATOM 860 N LEU A 80 0.309 8.928 -0.293 1.00 0.00 N ATOM 861 CA LEU A 80 -0.792 8.459 0.533 1.00 0.00 C ATOM 862 C LEU A 80 -2.132 8.645 -0.187 1.00 0.00 C ATOM 863 O LEU A 80 -2.907 7.701 -0.332 1.00 0.00 O ATOM 864 CB LEU A 80 -0.733 9.205 1.891 1.00 0.00 C ATOM 865 CG LEU A 80 -2.049 9.589 2.598 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.828 8.393 3.111 1.00 0.00 C ATOM 867 CD2 LEU A 80 -1.779 10.449 3.832 1.00 0.00 C ATOM 0 H LEU A 80 0.803 9.726 0.107 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.700 7.389 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.159 8.586 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.164 10.122 1.737 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.622 10.116 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.742 8.735 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.083 7.740 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.219 7.843 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.724 10.705 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.156 9.894 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.264 11.362 3.533 1.00 0.00 H new ATOM 879 N VAL A 81 -2.388 9.864 -0.671 1.00 0.00 N ATOM 880 CA VAL A 81 -3.655 10.281 -1.289 1.00 0.00 C ATOM 881 C VAL A 81 -3.840 9.573 -2.606 1.00 0.00 C ATOM 882 O VAL A 81 -4.948 9.137 -2.928 1.00 0.00 O ATOM 883 CB VAL A 81 -3.694 11.809 -1.498 1.00 0.00 C ATOM 884 CG1 VAL A 81 -4.900 12.295 -2.314 1.00 0.00 C ATOM 885 CG2 VAL A 81 -3.755 12.538 -0.153 1.00 0.00 C ATOM 0 H VAL A 81 -1.698 10.614 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.469 10.011 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.781 12.035 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.856 13.379 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.880 11.835 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.821 12.016 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.782 13.614 -0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.652 12.233 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.874 12.286 0.438 1.00 0.00 H new ATOM 895 N GLU A 82 -2.734 9.399 -3.322 1.00 0.00 N ATOM 896 CA GLU A 82 -2.639 8.523 -4.447 1.00 0.00 C ATOM 897 C GLU A 82 -3.202 7.153 -4.042 1.00 0.00 C ATOM 898 O GLU A 82 -4.327 6.855 -4.409 1.00 0.00 O ATOM 899 CB GLU A 82 -1.157 8.451 -4.788 1.00 0.00 C ATOM 900 CG GLU A 82 -0.666 9.347 -5.919 1.00 0.00 C ATOM 901 CD GLU A 82 -1.307 9.098 -7.287 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.356 7.935 -7.744 1.00 0.00 O ATOM 903 OE2 GLU A 82 -1.757 10.075 -7.931 1.00 0.00 O ATOM 0 H GLU A 82 -1.862 9.886 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.205 8.865 -5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.590 8.696 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.917 7.419 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.843 10.385 -5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.413 9.222 -6.015 1.00 0.00 H new ATOM 910 N ALA A 83 -2.522 6.364 -3.202 1.00 0.00 N ATOM 911 CA ALA A 83 -3.004 5.020 -2.827 1.00 0.00 C ATOM 912 C ALA A 83 -4.482 4.990 -2.378 1.00 0.00 C ATOM 913 O ALA A 83 -5.245 4.145 -2.841 1.00 0.00 O ATOM 914 CB ALA A 83 -2.105 4.454 -1.732 1.00 0.00 C ATOM 0 H ALA A 83 -1.638 6.628 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.955 4.402 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.456 3.461 -1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.081 4.386 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.135 5.110 -0.862 1.00 0.00 H new ATOM 920 N LEU A 84 -4.912 5.960 -1.571 1.00 0.00 N ATOM 921 CA LEU A 84 -6.290 6.099 -1.064 1.00 0.00 C ATOM 922 C LEU A 84 -7.305 6.327 -2.180 1.00 0.00 C ATOM 923 O LEU A 84 -8.480 5.995 -2.020 1.00 0.00 O ATOM 924 CB LEU A 84 -6.422 7.251 -0.041 1.00 0.00 C ATOM 925 CG LEU A 84 -5.660 7.190 1.280 1.00 0.00 C ATOM 926 CD1 LEU A 84 -6.557 7.670 2.412 1.00 0.00 C ATOM 927 CD2 LEU A 84 -5.146 5.806 1.619 1.00 0.00 C ATOM 0 H LEU A 84 -4.294 6.700 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.508 5.150 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.122 8.169 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.480 7.351 0.200 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.791 7.837 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.010 7.625 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.866 8.698 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.438 7.031 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.615 5.838 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.985 5.115 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.467 5.468 0.836 1.00 0.00 H new ATOM 939 N GLU A 85 -6.857 6.853 -3.315 1.00 0.00 N ATOM 940 CA GLU A 85 -7.650 6.947 -4.525 1.00 0.00 C ATOM 941 C GLU A 85 -7.276 5.929 -5.634 1.00 0.00 C ATOM 942 O GLU A 85 -7.969 5.876 -6.654 1.00 0.00 O ATOM 943 CB GLU A 85 -7.511 8.362 -5.119 1.00 0.00 C ATOM 944 CG GLU A 85 -8.046 9.503 -4.241 1.00 0.00 C ATOM 945 CD GLU A 85 -7.804 10.893 -4.881 1.00 0.00 C ATOM 946 OE1 GLU A 85 -7.409 10.993 -6.073 1.00 0.00 O ATOM 947 OE2 GLU A 85 -8.050 11.914 -4.195 1.00 0.00 O ATOM 0 H GLU A 85 -5.915 7.231 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.670 6.718 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.457 8.549 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.032 8.388 -6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.114 9.362 -4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.564 9.465 -3.264 1.00 0.00 H new ATOM 954 N ARG A 86 -6.207 5.126 -5.486 1.00 0.00 N ATOM 955 CA ARG A 86 -5.605 4.319 -6.563 1.00 0.00 C ATOM 956 C ARG A 86 -5.684 2.826 -6.295 1.00 0.00 C ATOM 957 O ARG A 86 -5.800 2.055 -7.244 1.00 0.00 O ATOM 958 CB ARG A 86 -4.135 4.764 -6.721 1.00 0.00 C ATOM 959 CG ARG A 86 -3.872 5.751 -7.870 1.00 0.00 C ATOM 960 CD ARG A 86 -4.642 7.051 -7.604 1.00 0.00 C ATOM 961 NE ARG A 86 -4.278 8.221 -8.410 1.00 0.00 N ATOM 962 CZ ARG A 86 -4.982 9.338 -8.323 1.00 0.00 C ATOM 963 NH1 ARG A 86 -6.263 9.335 -8.087 1.00 0.00 N ATOM 964 NH2 ARG A 86 -4.402 10.493 -8.404 1.00 0.00 N ATOM 0 H ARG A 86 -5.726 5.018 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.167 4.487 -7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.808 5.222 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.518 3.879 -6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.805 5.957 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.186 5.316 -8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.703 6.853 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.514 7.311 -6.553 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.478 8.173 -9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.757 8.451 -7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.773 10.217 -8.027 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.392 10.548 -8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.955 11.347 -8.336 1.00 0.00 H new ATOM 978 N LEU A 87 -5.653 2.434 -5.017 1.00 0.00 N ATOM 979 CA LEU A 87 -5.657 1.076 -4.521 1.00 0.00 C ATOM 980 C LEU A 87 -6.823 0.826 -3.549 1.00 0.00 C ATOM 981 O LEU A 87 -6.908 -0.243 -2.953 1.00 0.00 O ATOM 982 CB LEU A 87 -4.305 0.793 -3.846 1.00 0.00 C ATOM 983 CG LEU A 87 -3.101 0.588 -4.758 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.685 1.803 -5.541 1.00 0.00 C ATOM 985 CD2 LEU A 87 -1.899 0.050 -3.985 1.00 0.00 C ATOM 0 H LEU A 87 -5.622 3.114 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.800 0.394 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.083 1.622 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.416 -0.098 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.442 -0.148 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.821 1.559 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.509 2.125 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.423 2.607 -4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.059 -0.084 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.623 0.758 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.156 -0.908 -3.533 1.00 0.00 H new ATOM 997 N ASN A 88 -7.731 1.785 -3.349 1.00 0.00 N ATOM 998 CA ASN A 88 -8.836 1.601 -2.413 1.00 0.00 C ATOM 999 C ASN A 88 -9.965 0.728 -2.985 1.00 0.00 C ATOM 1000 O ASN A 88 -10.871 1.202 -3.673 1.00 0.00 O ATOM 1001 CB ASN A 88 -9.328 2.938 -1.864 1.00 0.00 C ATOM 1002 CG ASN A 88 -10.257 2.712 -0.689 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -10.107 1.775 0.076 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -11.241 3.552 -0.523 1.00 0.00 N ATOM 0 H ASN A 88 -7.721 2.689 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.447 1.038 -1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.479 3.546 -1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.847 3.491 -2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.893 3.428 0.252 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.359 4.333 -1.168 1.00 0.00 H new ATOM 1011 N ASN A 89 -9.882 -0.560 -2.662 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.763 -1.641 -3.088 1.00 0.00 C ATOM 1013 C ASN A 89 -10.629 -1.935 -4.585 1.00 0.00 C ATOM 1014 O ASN A 89 -11.551 -1.764 -5.392 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.164 -1.507 -2.469 1.00 0.00 C ATOM 1016 CG ASN A 89 -12.821 -2.872 -2.434 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -13.680 -3.216 -3.233 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -12.375 -3.715 -1.532 1.00 0.00 N ATOM 0 H ASN A 89 -9.141 -0.899 -2.049 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.435 -2.591 -2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.093 -1.098 -1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.769 -0.813 -3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.745 -4.665 -1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.658 -3.420 -0.869 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.413 -2.367 -4.933 1.00 0.00 N ATOM 1026 CA ILE A 90 -8.947 -2.734 -6.281 1.00 0.00 C ATOM 1027 C ILE A 90 -8.614 -4.214 -6.314 1.00 0.00 C ATOM 1028 O ILE A 90 -8.162 -4.763 -5.314 1.00 0.00 O ATOM 1029 CB ILE A 90 -7.708 -1.900 -6.702 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.456 -2.182 -5.847 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.117 -0.424 -6.740 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.163 -1.924 -6.606 1.00 0.00 C ATOM 0 H ILE A 90 -8.676 -2.478 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.746 -2.519 -6.990 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.392 -2.203 -7.700 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.481 -1.557 -4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.476 -3.219 -5.510 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.261 0.183 -7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.923 -0.288 -7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.458 -0.116 -5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.312 -2.138 -5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.122 -2.568 -7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.127 -0.881 -6.920 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.785 -4.859 -7.462 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.332 -6.232 -7.668 1.00 0.00 C ATOM 1046 C GLU A 91 -6.830 -6.272 -7.998 1.00 0.00 C ATOM 1047 O GLU A 91 -6.374 -5.883 -9.073 1.00 0.00 O ATOM 1048 CB GLU A 91 -9.183 -6.899 -8.736 1.00 0.00 C ATOM 1049 CG GLU A 91 -8.919 -8.399 -8.882 1.00 0.00 C ATOM 1050 CD GLU A 91 -9.102 -8.859 -10.343 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -10.262 -9.022 -10.796 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -8.081 -9.064 -11.041 1.00 0.00 O ATOM 0 H GLU A 91 -9.241 -4.447 -8.276 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.458 -6.797 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.236 -6.745 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.998 -6.411 -9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.906 -8.626 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.598 -8.955 -8.235 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.066 -6.778 -7.037 1.00 0.00 N ATOM 1060 CA PHE A 92 -4.655 -7.145 -7.136 1.00 0.00 C ATOM 1061 C PHE A 92 -4.477 -8.435 -7.945 1.00 0.00 C ATOM 1062 O PHE A 92 -4.157 -9.495 -7.407 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.120 -7.259 -5.699 1.00 0.00 C ATOM 1064 CG PHE A 92 -2.647 -7.570 -5.434 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -1.703 -7.790 -6.466 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.220 -7.623 -4.096 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.355 -8.041 -6.160 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -0.873 -7.879 -3.782 1.00 0.00 C ATOM 1069 CZ PHE A 92 0.052 -8.081 -4.819 1.00 0.00 C ATOM 0 H PHE A 92 -6.439 -6.955 -6.105 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.085 -6.389 -7.676 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.343 -6.317 -5.199 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.705 -8.031 -5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.022 -7.765 -7.498 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.934 -7.466 -3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.362 -8.202 -6.951 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.553 -7.920 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.088 -8.269 -4.581 1.00 0.00 H new ATOM 1079 N ARG A 93 -4.740 -8.341 -9.260 1.00 0.00 N ATOM 1080 CA ARG A 93 -4.629 -9.391 -10.295 1.00 0.00 C ATOM 1081 C ARG A 93 -5.339 -10.741 -10.035 1.00 0.00 C ATOM 1082 O ARG A 93 -5.193 -11.679 -10.822 1.00 0.00 O ATOM 1083 CB ARG A 93 -3.149 -9.660 -10.614 1.00 0.00 C ATOM 1084 CG ARG A 93 -2.309 -8.432 -10.995 1.00 0.00 C ATOM 1085 CD ARG A 93 -1.072 -8.916 -11.766 1.00 0.00 C ATOM 1086 NE ARG A 93 0.056 -7.976 -11.690 1.00 0.00 N ATOM 1087 CZ ARG A 93 1.052 -8.028 -10.832 1.00 0.00 C ATOM 1088 NH1 ARG A 93 1.062 -8.791 -9.779 1.00 0.00 N ATOM 1089 NH2 ARG A 93 2.091 -7.289 -11.022 1.00 0.00 N ATOM 0 H ARG A 93 -5.061 -7.460 -9.661 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.174 -8.962 -11.136 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.691 -10.134 -9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.099 -10.378 -11.432 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.894 -7.746 -11.608 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.010 -7.884 -10.101 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.760 -9.883 -11.371 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.340 -9.070 -12.811 1.00 0.00 H new ATOM 0 HE ARG A 93 0.067 -7.212 -12.366 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.265 -9.396 -9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.867 -8.785 -9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.136 -6.671 -11.832 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.868 -7.322 -10.362 1.00 0.00 H new ATOM 1103 N GLY A 94 -6.060 -10.872 -8.928 1.00 0.00 N ATOM 1104 CA GLY A 94 -6.590 -12.136 -8.402 1.00 0.00 C ATOM 1105 C GLY A 94 -6.942 -12.052 -6.916 1.00 0.00 C ATOM 1106 O GLY A 94 -7.852 -12.756 -6.466 1.00 0.00 O ATOM 0 H GLY A 94 -6.304 -10.072 -8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.479 -12.416 -8.967 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.854 -12.926 -8.553 1.00 0.00 H new ATOM 1110 N SER A 95 -6.277 -11.173 -6.151 1.00 0.00 N ATOM 1111 CA SER A 95 -6.685 -10.787 -4.812 1.00 0.00 C ATOM 1112 C SER A 95 -7.364 -9.428 -4.968 1.00 0.00 C ATOM 1113 O SER A 95 -7.511 -8.912 -6.069 1.00 0.00 O ATOM 1114 CB SER A 95 -5.444 -10.652 -3.922 1.00 0.00 C ATOM 1115 OG SER A 95 -4.799 -11.897 -3.742 1.00 0.00 O ATOM 0 H SER A 95 -5.425 -10.707 -6.462 1.00 0.00 H new ATOM 0 HA SER A 95 -7.350 -11.520 -4.355 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.749 -9.942 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.733 -10.247 -2.952 1.00 0.00 H new ATOM 0 HG SER A 95 -4.011 -11.778 -3.172 1.00 0.00 H new ATOM 1121 N VAL A 96 -7.745 -8.792 -3.876 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.177 -7.383 -3.876 1.00 0.00 C ATOM 1123 C VAL A 96 -7.720 -6.767 -2.546 1.00 0.00 C ATOM 1124 O VAL A 96 -7.680 -7.457 -1.526 1.00 0.00 O ATOM 1125 CB VAL A 96 -9.689 -7.165 -4.190 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -10.487 -8.452 -4.367 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.450 -6.178 -3.297 1.00 0.00 C ATOM 0 H VAL A 96 -7.768 -9.229 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.703 -6.863 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.616 -6.671 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.527 -8.208 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.071 -9.028 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.434 -9.042 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.489 -6.120 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.412 -6.520 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.991 -5.192 -3.371 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.395 -5.478 -2.552 1.00 0.00 N ATOM 1138 CA ILE A 97 -6.970 -4.703 -1.374 1.00 0.00 C ATOM 1139 C ILE A 97 -7.779 -3.414 -1.273 1.00 0.00 C ATOM 1140 O ILE A 97 -8.054 -2.763 -2.279 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.458 -4.358 -1.387 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -4.954 -3.987 -2.794 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.617 -5.480 -0.760 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.517 -3.458 -2.836 1.00 0.00 C ATOM 0 H ILE A 97 -7.419 -4.917 -3.404 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.152 -5.336 -0.506 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.333 -3.470 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.023 -4.867 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.618 -3.233 -3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.563 -5.203 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.926 -5.632 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.764 -6.402 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.246 -3.222 -3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.443 -2.558 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.838 -4.217 -2.447 1.00 0.00 H new ATOM 1156 N THR A 98 -8.122 -3.056 -0.046 1.00 0.00 N ATOM 1157 CA THR A 98 -8.691 -1.787 0.415 1.00 0.00 C ATOM 1158 C THR A 98 -7.572 -1.034 1.129 1.00 0.00 C ATOM 1159 O THR A 98 -6.740 -1.655 1.797 1.00 0.00 O ATOM 1160 CB THR A 98 -9.817 -2.073 1.415 1.00 0.00 C ATOM 1161 OG1 THR A 98 -10.740 -2.993 0.860 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.634 -0.848 1.803 1.00 0.00 C ATOM 0 H THR A 98 -8.000 -3.705 0.731 1.00 0.00 H new ATOM 0 HA THR A 98 -9.091 -1.209 -0.418 1.00 0.00 H new ATOM 0 HB THR A 98 -9.309 -2.456 2.300 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.454 -3.170 1.507 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.409 -1.137 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.981 -0.105 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 98 -11.098 -0.423 0.913 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.508 0.293 1.016 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.381 1.059 1.575 1.00 0.00 C ATOM 1172 C VAL A 99 -6.836 2.362 2.207 1.00 0.00 C ATOM 1173 O VAL A 99 -7.774 3.016 1.752 1.00 0.00 O ATOM 1174 CB VAL A 99 -5.242 1.299 0.570 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -4.819 0.028 -0.160 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -5.629 2.304 -0.484 1.00 0.00 C ATOM 0 H VAL A 99 -8.214 0.861 0.548 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.967 0.428 2.362 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.413 1.670 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.012 0.259 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.473 -0.710 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.669 -0.375 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.798 2.446 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.498 1.940 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.872 3.254 -0.009 1.00 0.00 H new ATOM 1186 N GLU A 100 -6.158 2.731 3.281 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.544 3.857 4.139 1.00 0.00 C ATOM 1188 C GLU A 100 -5.411 4.266 5.069 1.00 0.00 C ATOM 1189 O GLU A 100 -4.531 3.470 5.408 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.782 3.467 4.982 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.593 2.234 5.895 1.00 0.00 C ATOM 1192 CD GLU A 100 -8.872 1.869 6.679 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -9.410 2.734 7.413 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -9.321 0.699 6.588 1.00 0.00 O ATOM 0 H GLU A 100 -5.311 2.255 3.592 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.778 4.704 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.063 4.319 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.616 3.275 4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.289 1.381 5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.784 2.429 6.599 1.00 0.00 H new ATOM 1201 N ARG A 101 -5.448 5.522 5.514 1.00 0.00 N ATOM 1202 CA ARG A 101 -4.504 6.061 6.492 1.00 0.00 C ATOM 1203 C ARG A 101 -4.489 5.288 7.817 1.00 0.00 C ATOM 1204 O ARG A 101 -5.477 4.680 8.228 1.00 0.00 O ATOM 1205 CB ARG A 101 -4.647 7.592 6.550 1.00 0.00 C ATOM 1206 CG ARG A 101 -5.903 8.314 7.079 1.00 0.00 C ATOM 1207 CD ARG A 101 -7.287 7.663 6.988 1.00 0.00 C ATOM 1208 NE ARG A 101 -7.497 6.723 8.098 1.00 0.00 N ATOM 1209 CZ ARG A 101 -8.366 5.733 8.147 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -9.404 5.653 7.366 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -8.187 4.743 8.958 1.00 0.00 N ATOM 0 H ARG A 101 -6.142 6.201 5.202 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.479 5.889 6.165 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.811 7.955 7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.492 7.953 5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.724 8.536 8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.965 9.269 6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.058 8.433 7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.385 7.138 6.038 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.906 6.850 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -9.577 6.380 6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -10.044 4.863 7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -7.369 4.724 9.566 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.864 3.981 8.990 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.333 5.249 8.474 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.078 4.388 9.648 1.00 0.00 C ATOM 1227 C ASP A 102 -2.322 5.105 10.773 1.00 0.00 C ATOM 1228 O ASP A 102 -2.581 4.834 11.952 1.00 0.00 O ATOM 1229 CB ASP A 102 -2.365 3.111 9.196 1.00 0.00 C ATOM 1230 CG ASP A 102 -2.252 2.110 10.346 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -3.299 1.553 10.758 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -1.115 1.889 10.825 1.00 0.00 O ATOM 0 H ASP A 102 -2.529 5.819 8.210 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.041 4.123 10.084 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.911 2.659 8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.370 3.358 8.825 1.00 0.00 H new