USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 534 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 10 SER OG : rot 87:sc= 0.44 USER MOD Set 1.2: A 14 CYS SG : rot 76:sc= -1.47 USER MOD Single : A 2 GLN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 155:sc= -0.0896 (180deg=-0.637) USER MOD Single : A 9 MET CE :methyl -155:sc= -0.819 (180deg=-2.41!) USER MOD Single : A 11 CYS SG : rot -94:sc= -3.69! USER MOD Single : A 12 ASN : amide:sc= -5.48! C(o=-5.5!,f=-4.9!) USER MOD Single : A 13 HIS : no HD1:sc= -0.575 K(o=-0.58,f=-3.2!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -4.01! C(o=-4!,f=-4.1!) USER MOD Single : A 50 GLN : amide:sc= 0.00134 X(o=0.0013,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 20:sc= -5.82! USER MOD Single : A 56 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.0055) USER MOD Single : A 59 ASN : amide:sc= -0.4 K(o=-0.4,f=-1.1) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -6.471 -4.066 -4.142 1.00 0.00 N ATOM 12 CA GLN A 2 -7.345 -3.223 -3.344 1.00 0.00 C ATOM 13 C GLN A 2 -6.720 -1.839 -3.156 1.00 0.00 C ATOM 14 O GLN A 2 -5.511 -1.720 -2.963 1.00 0.00 O ATOM 15 CB GLN A 2 -7.651 -3.874 -1.993 1.00 0.00 C ATOM 16 CG GLN A 2 -8.824 -4.849 -2.108 1.00 0.00 C ATOM 17 CD GLN A 2 -9.998 -4.400 -1.235 1.00 0.00 C ATOM 18 OE1 GLN A 2 -10.185 -4.858 -0.119 1.00 0.00 O ATOM 19 NE2 GLN A 2 -10.774 -3.482 -1.803 1.00 0.00 N ATOM 0 HA GLN A 2 -8.289 -3.105 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.769 -4.402 -1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.885 -3.103 -1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.144 -4.917 -3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.503 -5.846 -1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.560 -3.142 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.584 -3.117 -1.301 1.00 0.00 H new ATOM 28 N GLU A 3 -7.572 -0.827 -3.220 1.00 0.00 N ATOM 29 CA GLU A 3 -7.119 0.545 -3.059 1.00 0.00 C ATOM 30 C GLU A 3 -7.260 0.983 -1.600 1.00 0.00 C ATOM 31 O GLU A 3 -8.120 0.482 -0.878 1.00 0.00 O ATOM 32 CB GLU A 3 -7.884 1.487 -3.991 1.00 0.00 C ATOM 33 CG GLU A 3 -9.386 1.201 -3.948 1.00 0.00 C ATOM 34 CD GLU A 3 -10.195 2.487 -4.130 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.563 3.511 -4.469 1.00 0.00 O ATOM 36 OE2 GLU A 3 -11.426 2.417 -3.927 1.00 0.00 O ATOM 0 H GLU A 3 -8.574 -0.929 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.065 0.594 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.699 2.521 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.517 1.372 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.647 0.489 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.644 0.736 -2.996 1.00 0.00 H new ATOM 43 N PHE A 4 -6.401 1.913 -1.210 1.00 0.00 N ATOM 44 CA PHE A 4 -6.418 2.424 0.150 1.00 0.00 C ATOM 45 C PHE A 4 -6.250 3.945 0.167 1.00 0.00 C ATOM 46 O PHE A 4 -5.322 4.477 -0.441 1.00 0.00 O ATOM 47 CB PHE A 4 -5.238 1.785 0.884 1.00 0.00 C ATOM 48 CG PHE A 4 -4.885 0.380 0.390 1.00 0.00 C ATOM 49 CD1 PHE A 4 -5.844 -0.583 0.337 1.00 0.00 C ATOM 50 CD2 PHE A 4 -3.613 0.095 0.003 1.00 0.00 C ATOM 51 CE1 PHE A 4 -5.517 -1.886 -0.121 1.00 0.00 C ATOM 52 CE2 PHE A 4 -3.286 -1.209 -0.456 1.00 0.00 C ATOM 53 CZ PHE A 4 -4.245 -2.172 -0.508 1.00 0.00 C ATOM 0 H PHE A 4 -5.689 2.326 -1.812 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.370 2.185 0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.364 2.428 0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.468 1.738 1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.854 -0.356 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.852 0.860 0.045 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.279 -2.651 -0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.276 -1.436 -0.764 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.996 -3.164 -0.857 1.00 0.00 H new ATOM 63 N SER A 5 -7.162 4.602 0.869 1.00 0.00 N ATOM 64 CA SER A 5 -7.126 6.051 0.972 1.00 0.00 C ATOM 65 C SER A 5 -6.140 6.473 2.063 1.00 0.00 C ATOM 66 O SER A 5 -6.185 5.959 3.179 1.00 0.00 O ATOM 67 CB SER A 5 -8.517 6.616 1.266 1.00 0.00 C ATOM 68 OG SER A 5 -8.452 7.894 1.894 1.00 0.00 O ATOM 0 H SER A 5 -7.930 4.158 1.372 1.00 0.00 H new ATOM 0 HA SER A 5 -6.794 6.455 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.079 6.697 0.336 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.061 5.924 1.908 1.00 0.00 H new ATOM 0 HG SER A 5 -9.360 8.222 2.064 1.00 0.00 H new ATOM 74 N VAL A 6 -5.271 7.406 1.701 1.00 0.00 N ATOM 75 CA VAL A 6 -4.275 7.904 2.635 1.00 0.00 C ATOM 76 C VAL A 6 -4.607 9.351 3.004 1.00 0.00 C ATOM 77 O VAL A 6 -4.712 10.210 2.130 1.00 0.00 O ATOM 78 CB VAL A 6 -2.875 7.744 2.041 1.00 0.00 C ATOM 79 CG1 VAL A 6 -1.798 7.976 3.104 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.711 6.372 1.385 1.00 0.00 C ATOM 0 H VAL A 6 -5.236 7.830 0.774 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.290 7.322 3.557 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.751 8.502 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.812 7.856 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.894 8.985 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.920 7.252 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.707 6.285 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.865 5.592 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.444 6.261 0.586 1.00 0.00 H new ATOM 90 N LYS A 7 -4.763 9.577 4.301 1.00 0.00 N ATOM 91 CA LYS A 7 -5.080 10.905 4.796 1.00 0.00 C ATOM 92 C LYS A 7 -4.009 11.341 5.798 1.00 0.00 C ATOM 93 O LYS A 7 -4.328 11.810 6.889 1.00 0.00 O ATOM 94 CB LYS A 7 -6.501 10.941 5.361 1.00 0.00 C ATOM 95 CG LYS A 7 -7.539 10.903 4.238 1.00 0.00 C ATOM 96 CD LYS A 7 -8.959 10.834 4.805 1.00 0.00 C ATOM 97 CE LYS A 7 -9.470 12.228 5.175 1.00 0.00 C ATOM 98 NZ LYS A 7 -9.640 13.057 3.960 1.00 0.00 N ATOM 0 H LYS A 7 -4.676 8.862 5.023 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.067 11.628 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.652 10.093 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.637 11.844 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.436 11.790 3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.357 10.039 3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.626 10.381 4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.972 10.192 5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.421 12.145 5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.769 12.710 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.349 13.796 4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.732 13.501 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.958 12.457 3.172 1.00 0.00 H new ATOM 112 N GLY A 8 -2.759 11.169 5.391 1.00 0.00 N ATOM 113 CA GLY A 8 -1.639 11.539 6.240 1.00 0.00 C ATOM 114 C GLY A 8 -0.344 11.626 5.430 1.00 0.00 C ATOM 115 O GLY A 8 0.747 11.481 5.979 1.00 0.00 O ATOM 0 H GLY A 8 -2.498 10.779 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.840 12.499 6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.525 10.805 7.038 1.00 0.00 H new ATOM 119 N MET A 9 -0.507 11.863 4.136 1.00 0.00 N ATOM 120 CA MET A 9 0.636 11.972 3.246 1.00 0.00 C ATOM 121 C MET A 9 1.340 13.319 3.419 1.00 0.00 C ATOM 122 O MET A 9 0.710 14.312 3.780 1.00 0.00 O ATOM 123 CB MET A 9 0.169 11.823 1.796 1.00 0.00 C ATOM 124 CG MET A 9 0.915 10.686 1.094 1.00 0.00 C ATOM 125 SD MET A 9 1.341 11.171 -0.570 1.00 0.00 S ATOM 126 CE MET A 9 -0.208 10.841 -1.394 1.00 0.00 C ATOM 0 H MET A 9 -1.413 11.982 3.683 1.00 0.00 H new ATOM 0 HA MET A 9 1.343 11.180 3.494 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.903 11.628 1.774 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.334 12.757 1.259 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.818 10.434 1.651 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.293 9.791 1.073 1.00 0.00 H new ATOM 0 HE1 MET A 9 -0.025 10.656 -2.452 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.678 9.964 -0.948 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.868 11.701 -1.285 1.00 0.00 H new ATOM 136 N SER A 10 2.639 13.310 3.155 1.00 0.00 N ATOM 137 CA SER A 10 3.436 14.519 3.278 1.00 0.00 C ATOM 138 C SER A 10 4.194 14.780 1.975 1.00 0.00 C ATOM 139 O SER A 10 4.926 15.763 1.864 1.00 0.00 O ATOM 140 CB SER A 10 4.414 14.417 4.450 1.00 0.00 C ATOM 141 OG SER A 10 3.892 13.625 5.513 1.00 0.00 O ATOM 0 H SER A 10 3.159 12.485 2.857 1.00 0.00 H new ATOM 0 HA SER A 10 2.763 15.354 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.352 13.985 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.642 15.417 4.820 1.00 0.00 H new ATOM 0 HG SER A 10 4.107 12.682 5.355 1.00 0.00 H new ATOM 147 N CYS A 11 3.993 13.883 1.020 1.00 0.00 N ATOM 148 CA CYS A 11 4.649 14.005 -0.271 1.00 0.00 C ATOM 149 C CYS A 11 6.161 14.039 -0.040 1.00 0.00 C ATOM 150 O CYS A 11 6.655 13.487 0.941 1.00 0.00 O ATOM 151 CB CYS A 11 4.160 15.234 -1.040 1.00 0.00 C ATOM 152 SG CYS A 11 4.151 14.885 -2.836 1.00 0.00 S ATOM 0 H CYS A 11 3.385 13.069 1.115 1.00 0.00 H new ATOM 0 HA CYS A 11 4.397 13.146 -0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.158 15.505 -0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.807 16.086 -0.830 1.00 0.00 H new ATOM 0 HG CYS A 11 5.269 15.288 -3.362 1.00 0.00 H new ATOM 158 N ASN A 12 6.853 14.694 -0.961 1.00 0.00 N ATOM 159 CA ASN A 12 8.298 14.808 -0.870 1.00 0.00 C ATOM 160 C ASN A 12 8.928 13.428 -1.072 1.00 0.00 C ATOM 161 O ASN A 12 9.541 13.167 -2.106 1.00 0.00 O ATOM 162 CB ASN A 12 8.725 15.326 0.504 1.00 0.00 C ATOM 163 CG ASN A 12 7.601 16.132 1.160 1.00 0.00 C ATOM 164 OD1 ASN A 12 7.329 16.018 2.343 1.00 0.00 O ATOM 165 ND2 ASN A 12 6.966 16.951 0.326 1.00 0.00 N ATOM 0 H ASN A 12 6.439 15.151 -1.774 1.00 0.00 H new ATOM 0 HA ASN A 12 8.630 15.507 -1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.997 14.487 1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.613 15.950 0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.200 17.532 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.245 16.998 -0.654 1.00 0.00 H new ATOM 172 N HIS A 13 8.755 12.582 -0.068 1.00 0.00 N ATOM 173 CA HIS A 13 9.299 11.236 -0.122 1.00 0.00 C ATOM 174 C HIS A 13 8.312 10.257 0.518 1.00 0.00 C ATOM 175 O HIS A 13 8.638 9.090 0.730 1.00 0.00 O ATOM 176 CB HIS A 13 10.686 11.184 0.522 1.00 0.00 C ATOM 177 CG HIS A 13 11.702 10.397 -0.272 1.00 0.00 C ATOM 178 ND1 HIS A 13 11.348 9.398 -1.161 1.00 0.00 N ATOM 179 CD2 HIS A 13 13.064 10.474 -0.301 1.00 0.00 C ATOM 180 CE1 HIS A 13 12.455 8.902 -1.695 1.00 0.00 C ATOM 181 NE2 HIS A 13 13.517 9.570 -1.160 1.00 0.00 N ATOM 0 H HIS A 13 8.246 12.802 0.788 1.00 0.00 H new ATOM 0 HA HIS A 13 9.433 10.936 -1.161 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.053 12.202 0.654 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.598 10.745 1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 13 13.670 11.155 0.277 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.507 8.108 -2.426 1.00 0.00 H new ATOM 0 HE2 HIS A 13 14.498 9.402 -1.383 1.00 0.00 H new ATOM 189 N CYS A 14 7.125 10.769 0.808 1.00 0.00 N ATOM 190 CA CYS A 14 6.088 9.956 1.419 1.00 0.00 C ATOM 191 C CYS A 14 5.624 8.919 0.394 1.00 0.00 C ATOM 192 O CYS A 14 5.713 7.717 0.637 1.00 0.00 O ATOM 193 CB CYS A 14 4.927 10.810 1.933 1.00 0.00 C ATOM 194 SG CYS A 14 5.299 11.424 3.616 1.00 0.00 S ATOM 0 H CYS A 14 6.858 11.738 0.631 1.00 0.00 H new ATOM 0 HA CYS A 14 6.491 9.446 2.294 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.757 11.650 1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.010 10.221 1.946 1.00 0.00 H new ATOM 0 HG CYS A 14 6.155 12.399 3.543 1.00 0.00 H new ATOM 200 N VAL A 15 5.137 9.424 -0.731 1.00 0.00 N ATOM 201 CA VAL A 15 4.658 8.557 -1.794 1.00 0.00 C ATOM 202 C VAL A 15 5.553 7.318 -1.878 1.00 0.00 C ATOM 203 O VAL A 15 5.060 6.191 -1.889 1.00 0.00 O ATOM 204 CB VAL A 15 4.588 9.333 -3.110 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.690 8.389 -4.310 1.00 0.00 C ATOM 206 CG2 VAL A 15 3.312 10.175 -3.182 1.00 0.00 C ATOM 0 H VAL A 15 5.064 10.422 -0.929 1.00 0.00 H new ATOM 0 HA VAL A 15 3.646 8.214 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 15 5.440 10.011 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.638 8.967 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.638 7.852 -4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.867 7.675 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.287 10.717 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.441 9.523 -3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.298 10.886 -2.356 1.00 0.00 H new ATOM 216 N ALA A 16 6.853 7.569 -1.935 1.00 0.00 N ATOM 217 CA ALA A 16 7.820 6.488 -2.017 1.00 0.00 C ATOM 218 C ALA A 16 7.786 5.678 -0.720 1.00 0.00 C ATOM 219 O ALA A 16 7.542 4.473 -0.743 1.00 0.00 O ATOM 220 CB ALA A 16 9.207 7.066 -2.307 1.00 0.00 C ATOM 0 H ALA A 16 7.259 8.505 -1.926 1.00 0.00 H new ATOM 0 HA ALA A 16 7.570 5.811 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.933 6.256 -2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.185 7.607 -3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.492 7.748 -1.506 1.00 0.00 H new ATOM 226 N ARG A 17 8.033 6.373 0.381 1.00 0.00 N ATOM 227 CA ARG A 17 8.033 5.733 1.686 1.00 0.00 C ATOM 228 C ARG A 17 6.815 4.818 1.828 1.00 0.00 C ATOM 229 O ARG A 17 6.921 3.717 2.367 1.00 0.00 O ATOM 230 CB ARG A 17 8.015 6.772 2.809 1.00 0.00 C ATOM 231 CG ARG A 17 9.188 6.561 3.768 1.00 0.00 C ATOM 232 CD ARG A 17 9.651 7.891 4.368 1.00 0.00 C ATOM 233 NE ARG A 17 10.387 7.648 5.629 1.00 0.00 N ATOM 234 CZ ARG A 17 10.783 8.616 6.466 1.00 0.00 C ATOM 235 NH1 ARG A 17 10.518 9.898 6.181 1.00 0.00 N ATOM 236 NH2 ARG A 17 11.445 8.303 7.588 1.00 0.00 N ATOM 0 H ARG A 17 8.234 7.373 0.396 1.00 0.00 H new ATOM 0 HA ARG A 17 8.946 5.144 1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.064 7.774 2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.075 6.704 3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.892 5.881 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.015 6.089 3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.291 8.416 3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.791 8.533 4.557 1.00 0.00 H new ATOM 0 HE ARG A 17 10.606 6.683 5.876 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.015 10.137 5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.820 10.635 6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.648 7.327 7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.746 9.040 8.225 1.00 0.00 H new ATOM 250 N ILE A 18 5.686 5.307 1.336 1.00 0.00 N ATOM 251 CA ILE A 18 4.449 4.547 1.401 1.00 0.00 C ATOM 252 C ILE A 18 4.509 3.396 0.395 1.00 0.00 C ATOM 253 O ILE A 18 4.449 2.229 0.778 1.00 0.00 O ATOM 254 CB ILE A 18 3.243 5.469 1.210 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.269 6.621 2.216 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.934 4.680 1.276 1.00 0.00 C ATOM 257 CD1 ILE A 18 2.115 7.594 1.966 1.00 0.00 C ATOM 0 H ILE A 18 5.602 6.221 0.890 1.00 0.00 H new ATOM 0 HA ILE A 18 4.327 4.102 2.388 1.00 0.00 H new ATOM 0 HB ILE A 18 3.304 5.909 0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.202 6.225 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.219 7.151 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.093 5.359 1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.924 3.925 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.851 4.193 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.157 8.403 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.198 8.007 0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.166 7.066 2.064 1.00 0.00 H new ATOM 269 N GLU A 19 4.627 3.766 -0.872 1.00 0.00 N ATOM 270 CA GLU A 19 4.695 2.778 -1.936 1.00 0.00 C ATOM 271 C GLU A 19 5.701 1.682 -1.579 1.00 0.00 C ATOM 272 O GLU A 19 5.386 0.496 -1.659 1.00 0.00 O ATOM 273 CB GLU A 19 5.051 3.435 -3.271 1.00 0.00 C ATOM 274 CG GLU A 19 5.707 2.429 -4.219 1.00 0.00 C ATOM 275 CD GLU A 19 7.215 2.349 -3.977 1.00 0.00 C ATOM 276 OE1 GLU A 19 7.828 3.432 -3.851 1.00 0.00 O ATOM 277 OE2 GLU A 19 7.721 1.208 -3.922 1.00 0.00 O ATOM 0 H GLU A 19 4.677 4.735 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 19 3.712 2.320 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.151 3.841 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.727 4.273 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.260 1.445 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.516 2.720 -5.252 1.00 0.00 H new ATOM 284 N GLU A 20 6.891 2.118 -1.193 1.00 0.00 N ATOM 285 CA GLU A 20 7.945 1.189 -0.823 1.00 0.00 C ATOM 286 C GLU A 20 7.542 0.397 0.423 1.00 0.00 C ATOM 287 O GLU A 20 7.651 -0.828 0.447 1.00 0.00 O ATOM 288 CB GLU A 20 9.270 1.921 -0.602 1.00 0.00 C ATOM 289 CG GLU A 20 10.458 1.021 -0.945 1.00 0.00 C ATOM 290 CD GLU A 20 11.650 1.315 -0.032 1.00 0.00 C ATOM 291 OE1 GLU A 20 12.044 2.500 0.023 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.141 0.348 0.589 1.00 0.00 O ATOM 0 H GLU A 20 7.149 3.103 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 20 8.088 0.488 -1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.300 2.820 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.342 2.244 0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.168 -0.025 -0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.746 1.173 -1.985 1.00 0.00 H new ATOM 299 N ALA A 21 7.084 1.129 1.428 1.00 0.00 N ATOM 300 CA ALA A 21 6.664 0.511 2.674 1.00 0.00 C ATOM 301 C ALA A 21 5.599 -0.548 2.379 1.00 0.00 C ATOM 302 O ALA A 21 5.596 -1.616 2.989 1.00 0.00 O ATOM 303 CB ALA A 21 6.163 1.590 3.636 1.00 0.00 C ATOM 0 H ALA A 21 6.995 2.145 1.405 1.00 0.00 H new ATOM 0 HA ALA A 21 7.503 0.009 3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.848 1.126 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.965 2.300 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.318 2.113 3.188 1.00 0.00 H new ATOM 309 N VAL A 22 4.721 -0.214 1.445 1.00 0.00 N ATOM 310 CA VAL A 22 3.654 -1.122 1.062 1.00 0.00 C ATOM 311 C VAL A 22 4.238 -2.270 0.237 1.00 0.00 C ATOM 312 O VAL A 22 3.735 -3.392 0.283 1.00 0.00 O ATOM 313 CB VAL A 22 2.553 -0.356 0.325 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.484 -1.311 -0.210 1.00 0.00 C ATOM 315 CG2 VAL A 22 1.932 0.713 1.226 1.00 0.00 C ATOM 0 H VAL A 22 4.727 0.673 0.942 1.00 0.00 H new ATOM 0 HA VAL A 22 3.191 -1.560 1.946 1.00 0.00 H new ATOM 0 HB VAL A 22 3.009 0.148 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.714 -0.741 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.941 -2.018 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.034 -1.856 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.153 1.243 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.499 0.239 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.702 1.420 1.536 1.00 0.00 H new ATOM 325 N GLY A 23 5.293 -1.950 -0.499 1.00 0.00 N ATOM 326 CA GLY A 23 5.951 -2.941 -1.333 1.00 0.00 C ATOM 327 C GLY A 23 6.913 -3.800 -0.510 1.00 0.00 C ATOM 328 O GLY A 23 7.652 -4.614 -1.061 1.00 0.00 O ATOM 0 H GLY A 23 5.708 -1.019 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.203 -3.578 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.497 -2.442 -2.134 1.00 0.00 H new ATOM 332 N ARG A 24 6.872 -3.589 0.798 1.00 0.00 N ATOM 333 CA ARG A 24 7.731 -4.333 1.703 1.00 0.00 C ATOM 334 C ARG A 24 6.993 -5.558 2.248 1.00 0.00 C ATOM 335 O ARG A 24 7.615 -6.477 2.778 1.00 0.00 O ATOM 336 CB ARG A 24 8.188 -3.459 2.872 1.00 0.00 C ATOM 337 CG ARG A 24 8.838 -4.306 3.969 1.00 0.00 C ATOM 338 CD ARG A 24 9.955 -3.531 4.671 1.00 0.00 C ATOM 339 NE ARG A 24 9.379 -2.431 5.476 1.00 0.00 N ATOM 340 CZ ARG A 24 10.076 -1.372 5.910 1.00 0.00 C ATOM 341 NH1 ARG A 24 11.379 -1.263 5.618 1.00 0.00 N ATOM 342 NH2 ARG A 24 9.470 -0.422 6.635 1.00 0.00 N ATOM 0 H ARG A 24 6.257 -2.913 1.252 1.00 0.00 H new ATOM 0 HA ARG A 24 8.608 -4.653 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.897 -2.712 2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.335 -2.919 3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.084 -4.604 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.242 -5.221 3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.526 -4.202 5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.649 -3.128 3.933 1.00 0.00 H new ATOM 0 HE ARG A 24 8.389 -2.482 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.840 -1.986 5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.910 -0.457 5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.478 -0.505 6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.001 0.384 6.965 1.00 0.00 H new ATOM 356 N ILE A 25 5.677 -5.530 2.099 1.00 0.00 N ATOM 357 CA ILE A 25 4.847 -6.626 2.570 1.00 0.00 C ATOM 358 C ILE A 25 5.188 -7.893 1.783 1.00 0.00 C ATOM 359 O ILE A 25 5.122 -7.901 0.554 1.00 0.00 O ATOM 360 CB ILE A 25 3.367 -6.243 2.509 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.084 -5.010 3.369 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.478 -7.427 2.893 1.00 0.00 C ATOM 363 CD1 ILE A 25 1.965 -4.162 2.761 1.00 0.00 C ATOM 0 H ILE A 25 5.165 -4.766 1.659 1.00 0.00 H new ATOM 0 HA ILE A 25 5.054 -6.837 3.619 1.00 0.00 H new ATOM 0 HB ILE A 25 3.124 -5.980 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.804 -5.321 4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.990 -4.411 3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.431 -7.128 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.654 -8.253 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.715 -7.746 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.784 -3.292 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.259 -3.833 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.054 -4.757 2.693 1.00 0.00 H new ATOM 375 N SER A 26 5.544 -8.933 2.522 1.00 0.00 N ATOM 376 CA SER A 26 5.896 -10.202 1.908 1.00 0.00 C ATOM 377 C SER A 26 4.672 -10.805 1.215 1.00 0.00 C ATOM 378 O SER A 26 3.867 -11.485 1.850 1.00 0.00 O ATOM 379 CB SER A 26 6.454 -11.180 2.944 1.00 0.00 C ATOM 380 OG SER A 26 7.293 -12.166 2.350 1.00 0.00 O ATOM 0 H SER A 26 5.596 -8.923 3.541 1.00 0.00 H new ATOM 0 HA SER A 26 6.673 -10.019 1.166 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.019 -10.629 3.696 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.629 -11.670 3.461 1.00 0.00 H new ATOM 0 HG SER A 26 7.630 -12.770 3.044 1.00 0.00 H new ATOM 386 N GLY A 27 4.570 -10.533 -0.077 1.00 0.00 N ATOM 387 CA GLY A 27 3.457 -11.039 -0.863 1.00 0.00 C ATOM 388 C GLY A 27 3.046 -10.036 -1.942 1.00 0.00 C ATOM 389 O GLY A 27 2.331 -10.385 -2.880 1.00 0.00 O ATOM 0 H GLY A 27 5.240 -9.969 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.736 -11.985 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.609 -11.243 -0.209 1.00 0.00 H new ATOM 393 N VAL A 28 3.515 -8.808 -1.773 1.00 0.00 N ATOM 394 CA VAL A 28 3.204 -7.751 -2.720 1.00 0.00 C ATOM 395 C VAL A 28 4.074 -7.919 -3.968 1.00 0.00 C ATOM 396 O VAL A 28 5.241 -8.295 -3.870 1.00 0.00 O ATOM 397 CB VAL A 28 3.374 -6.384 -2.053 1.00 0.00 C ATOM 398 CG1 VAL A 28 4.825 -5.907 -2.141 1.00 0.00 C ATOM 399 CG2 VAL A 28 2.420 -5.355 -2.663 1.00 0.00 C ATOM 0 H VAL A 28 4.108 -8.522 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 28 2.163 -7.816 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 28 3.121 -6.492 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.918 -4.934 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.475 -6.624 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.118 -5.823 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.561 -4.392 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.628 -5.253 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.391 -5.686 -2.524 1.00 0.00 H new ATOM 409 N LYS A 29 3.472 -7.632 -5.113 1.00 0.00 N ATOM 410 CA LYS A 29 4.176 -7.746 -6.378 1.00 0.00 C ATOM 411 C LYS A 29 4.381 -6.351 -6.971 1.00 0.00 C ATOM 412 O LYS A 29 5.478 -6.016 -7.414 1.00 0.00 O ATOM 413 CB LYS A 29 3.444 -8.711 -7.314 1.00 0.00 C ATOM 414 CG LYS A 29 3.821 -8.450 -8.774 1.00 0.00 C ATOM 415 CD LYS A 29 3.330 -9.583 -9.677 1.00 0.00 C ATOM 416 CE LYS A 29 3.502 -9.221 -11.153 1.00 0.00 C ATOM 417 NZ LYS A 29 4.879 -9.523 -11.604 1.00 0.00 N ATOM 0 H LYS A 29 2.504 -7.321 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 29 5.166 -8.176 -6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.692 -9.739 -7.049 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.367 -8.600 -7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.388 -7.505 -9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.903 -8.353 -8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.884 -10.495 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.280 -9.789 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.785 -9.778 -11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.288 -8.162 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.978 -9.271 -12.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.558 -8.972 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.070 -10.538 -11.481 1.00 0.00 H new ATOM 431 N LYS A 30 3.307 -5.575 -6.960 1.00 0.00 N ATOM 432 CA LYS A 30 3.355 -4.223 -7.492 1.00 0.00 C ATOM 433 C LYS A 30 2.644 -3.275 -6.525 1.00 0.00 C ATOM 434 O LYS A 30 1.775 -3.696 -5.763 1.00 0.00 O ATOM 435 CB LYS A 30 2.793 -4.187 -8.914 1.00 0.00 C ATOM 436 CG LYS A 30 3.524 -5.181 -9.819 1.00 0.00 C ATOM 437 CD LYS A 30 4.184 -4.466 -10.999 1.00 0.00 C ATOM 438 CE LYS A 30 3.879 -5.184 -12.315 1.00 0.00 C ATOM 439 NZ LYS A 30 2.602 -4.700 -12.886 1.00 0.00 N ATOM 0 H LYS A 30 2.399 -5.856 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 30 4.387 -3.881 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.729 -4.423 -8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.889 -3.181 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.280 -5.714 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.820 -5.927 -10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.828 -3.437 -11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.262 -4.423 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.689 -5.015 -13.025 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.824 -6.259 -12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.410 -5.198 -13.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.830 -4.884 -12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.668 -3.678 -13.067 1.00 0.00 H new ATOM 453 N VAL A 31 3.039 -2.011 -6.588 1.00 0.00 N ATOM 454 CA VAL A 31 2.451 -0.999 -5.727 1.00 0.00 C ATOM 455 C VAL A 31 2.625 0.377 -6.373 1.00 0.00 C ATOM 456 O VAL A 31 3.622 0.628 -7.048 1.00 0.00 O ATOM 457 CB VAL A 31 3.061 -1.084 -4.327 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.589 -1.134 -4.396 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.590 0.079 -3.452 1.00 0.00 C ATOM 0 H VAL A 31 3.759 -1.665 -7.222 1.00 0.00 H new ATOM 0 HA VAL A 31 1.381 -1.171 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 31 2.716 -2.010 -3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.997 -1.194 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.899 -2.010 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.961 -0.233 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.038 -0.006 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.891 1.022 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.504 0.050 -3.362 1.00 0.00 H new ATOM 469 N LYS A 32 1.639 1.232 -6.143 1.00 0.00 N ATOM 470 CA LYS A 32 1.670 2.576 -6.694 1.00 0.00 C ATOM 471 C LYS A 32 0.822 3.501 -5.819 1.00 0.00 C ATOM 472 O LYS A 32 0.038 3.034 -4.994 1.00 0.00 O ATOM 473 CB LYS A 32 1.248 2.562 -8.164 1.00 0.00 C ATOM 474 CG LYS A 32 1.777 3.796 -8.898 1.00 0.00 C ATOM 475 CD LYS A 32 2.239 3.436 -10.312 1.00 0.00 C ATOM 476 CE LYS A 32 3.239 4.466 -10.841 1.00 0.00 C ATOM 477 NZ LYS A 32 2.837 4.937 -12.185 1.00 0.00 N ATOM 0 H LYS A 32 0.814 1.020 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 32 2.686 2.969 -6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.624 1.659 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.161 2.531 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.997 4.556 -8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.607 4.228 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.698 2.447 -10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.378 3.385 -10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.296 5.311 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.235 4.025 -10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.527 5.635 -12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.805 4.130 -12.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.896 5.377 -12.132 1.00 0.00 H new ATOM 491 N VAL A 33 1.008 4.796 -6.028 1.00 0.00 N ATOM 492 CA VAL A 33 0.270 5.791 -5.269 1.00 0.00 C ATOM 493 C VAL A 33 -0.143 6.933 -6.199 1.00 0.00 C ATOM 494 O VAL A 33 0.598 7.293 -7.113 1.00 0.00 O ATOM 495 CB VAL A 33 1.104 6.263 -4.076 1.00 0.00 C ATOM 496 CG1 VAL A 33 0.517 7.538 -3.467 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.228 5.160 -3.023 1.00 0.00 C ATOM 0 H VAL A 33 1.660 5.179 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.643 5.359 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 33 2.106 6.495 -4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.128 7.852 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.504 8.328 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.500 7.344 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.825 5.522 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.235 4.883 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.712 4.288 -3.464 1.00 0.00 H new ATOM 507 N GLN A 34 -1.324 7.471 -5.935 1.00 0.00 N ATOM 508 CA GLN A 34 -1.845 8.565 -6.737 1.00 0.00 C ATOM 509 C GLN A 34 -1.916 9.847 -5.904 1.00 0.00 C ATOM 510 O GLN A 34 -2.875 10.057 -5.164 1.00 0.00 O ATOM 511 CB GLN A 34 -3.214 8.214 -7.321 1.00 0.00 C ATOM 512 CG GLN A 34 -3.116 7.017 -8.270 1.00 0.00 C ATOM 513 CD GLN A 34 -3.671 5.751 -7.615 1.00 0.00 C ATOM 514 OE1 GLN A 34 -4.868 5.520 -7.566 1.00 0.00 O ATOM 515 NE2 GLN A 34 -2.737 4.946 -7.116 1.00 0.00 N ATOM 0 H GLN A 34 -1.936 7.170 -5.176 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.164 8.734 -7.571 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.910 7.986 -6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.617 9.074 -7.856 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.668 7.229 -9.186 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.076 6.858 -8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.752 5.200 -7.191 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.006 4.075 -6.658 1.00 0.00 H new ATOM 524 N LEU A 35 -0.888 10.669 -6.053 1.00 0.00 N ATOM 525 CA LEU A 35 -0.822 11.924 -5.324 1.00 0.00 C ATOM 526 C LEU A 35 -2.016 12.799 -5.714 1.00 0.00 C ATOM 527 O LEU A 35 -2.670 12.548 -6.725 1.00 0.00 O ATOM 528 CB LEU A 35 0.533 12.600 -5.542 1.00 0.00 C ATOM 529 CG LEU A 35 0.833 13.805 -4.648 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.880 13.395 -3.175 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.119 14.507 -5.088 1.00 0.00 C ATOM 0 H LEU A 35 -0.094 10.490 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.894 11.745 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.316 11.857 -5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.594 12.920 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 35 0.020 14.523 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.095 14.269 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.082 12.974 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.661 12.649 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.309 15.360 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.954 13.809 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.011 14.853 -6.116 1.00 0.00 H new ATOM 543 N LYS A 36 -2.263 13.808 -4.891 1.00 0.00 N ATOM 544 CA LYS A 36 -3.366 14.721 -5.137 1.00 0.00 C ATOM 545 C LYS A 36 -4.659 13.920 -5.301 1.00 0.00 C ATOM 546 O LYS A 36 -5.635 14.417 -5.861 1.00 0.00 O ATOM 547 CB LYS A 36 -3.052 15.632 -6.326 1.00 0.00 C ATOM 548 CG LYS A 36 -3.530 17.062 -6.062 1.00 0.00 C ATOM 549 CD LYS A 36 -2.344 18.007 -5.858 1.00 0.00 C ATOM 550 CE LYS A 36 -2.646 19.395 -6.426 1.00 0.00 C ATOM 551 NZ LYS A 36 -2.803 20.380 -5.332 1.00 0.00 N ATOM 0 H LYS A 36 -1.718 14.013 -4.053 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.508 15.385 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.978 15.633 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.533 15.244 -7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.135 17.408 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.169 17.079 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.116 18.087 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.459 17.596 -6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.840 19.706 -7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.556 19.359 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.008 21.317 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.588 20.090 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.924 20.426 -4.778 1.00 0.00 H new ATOM 565 N LYS A 37 -4.624 12.692 -4.804 1.00 0.00 N ATOM 566 CA LYS A 37 -5.781 11.817 -4.888 1.00 0.00 C ATOM 567 C LYS A 37 -6.101 11.266 -3.497 1.00 0.00 C ATOM 568 O LYS A 37 -7.260 11.244 -3.086 1.00 0.00 O ATOM 569 CB LYS A 37 -5.556 10.732 -5.942 1.00 0.00 C ATOM 570 CG LYS A 37 -6.728 10.669 -6.924 1.00 0.00 C ATOM 571 CD LYS A 37 -8.028 10.309 -6.203 1.00 0.00 C ATOM 572 CE LYS A 37 -9.175 11.215 -6.655 1.00 0.00 C ATOM 573 NZ LYS A 37 -9.658 12.042 -5.527 1.00 0.00 N ATOM 0 H LYS A 37 -3.812 12.282 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.657 12.375 -5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.633 10.934 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.434 9.765 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.840 11.631 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.520 9.929 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.282 9.268 -6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.889 10.403 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.839 11.859 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.993 10.609 -7.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.436 12.651 -5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.998 11.423 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.880 12.634 -5.173 1.00 0.00 H new ATOM 587 N GLU A 38 -5.052 10.835 -2.811 1.00 0.00 N ATOM 588 CA GLU A 38 -5.207 10.286 -1.474 1.00 0.00 C ATOM 589 C GLU A 38 -5.641 8.821 -1.550 1.00 0.00 C ATOM 590 O GLU A 38 -6.531 8.395 -0.815 1.00 0.00 O ATOM 591 CB GLU A 38 -6.201 11.111 -0.654 1.00 0.00 C ATOM 592 CG GLU A 38 -5.949 12.609 -0.834 1.00 0.00 C ATOM 593 CD GLU A 38 -6.643 13.417 0.265 1.00 0.00 C ATOM 594 OE1 GLU A 38 -7.879 13.572 0.161 1.00 0.00 O ATOM 595 OE2 GLU A 38 -5.921 13.861 1.184 1.00 0.00 O ATOM 0 H GLU A 38 -4.092 10.855 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.243 10.334 -0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.219 10.870 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.115 10.848 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.877 12.806 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.313 12.928 -1.810 1.00 0.00 H new ATOM 602 N LYS A 39 -4.993 8.090 -2.445 1.00 0.00 N ATOM 603 CA LYS A 39 -5.301 6.682 -2.626 1.00 0.00 C ATOM 604 C LYS A 39 -4.036 5.939 -3.060 1.00 0.00 C ATOM 605 O LYS A 39 -3.139 6.531 -3.659 1.00 0.00 O ATOM 606 CB LYS A 39 -6.477 6.510 -3.590 1.00 0.00 C ATOM 607 CG LYS A 39 -7.096 7.863 -3.946 1.00 0.00 C ATOM 608 CD LYS A 39 -8.104 8.302 -2.882 1.00 0.00 C ATOM 609 CE LYS A 39 -9.502 8.460 -3.484 1.00 0.00 C ATOM 610 NZ LYS A 39 -10.484 8.800 -2.430 1.00 0.00 N ATOM 0 H LYS A 39 -4.256 8.447 -3.053 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.624 6.239 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.138 6.011 -4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.233 5.868 -3.137 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.311 8.613 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.590 7.797 -4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.132 7.568 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.785 9.246 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.491 9.241 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.797 7.536 -3.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.428 8.904 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.506 8.042 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.209 9.694 -1.975 1.00 0.00 H new ATOM 624 N ALA A 40 -4.004 4.653 -2.742 1.00 0.00 N ATOM 625 CA ALA A 40 -2.864 3.823 -3.092 1.00 0.00 C ATOM 626 C ALA A 40 -3.362 2.502 -3.680 1.00 0.00 C ATOM 627 O ALA A 40 -4.341 1.934 -3.198 1.00 0.00 O ATOM 628 CB ALA A 40 -1.984 3.618 -1.858 1.00 0.00 C ATOM 0 H ALA A 40 -4.750 4.165 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.252 4.311 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.129 2.995 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.632 4.585 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.563 3.128 -1.075 1.00 0.00 H new ATOM 634 N VAL A 41 -2.665 2.050 -4.712 1.00 0.00 N ATOM 635 CA VAL A 41 -3.024 0.806 -5.371 1.00 0.00 C ATOM 636 C VAL A 41 -1.933 -0.236 -5.114 1.00 0.00 C ATOM 637 O VAL A 41 -0.771 0.114 -4.913 1.00 0.00 O ATOM 638 CB VAL A 41 -3.274 1.055 -6.860 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.955 1.246 -7.612 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.096 -0.079 -7.475 1.00 0.00 C ATOM 0 H VAL A 41 -1.853 2.523 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.954 0.411 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.850 1.975 -6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.160 1.421 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.421 2.102 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.342 0.351 -7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.259 0.123 -8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.558 -1.020 -7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.058 -0.149 -6.966 1.00 0.00 H new ATOM 650 N VAL A 42 -2.346 -1.494 -5.128 1.00 0.00 N ATOM 651 CA VAL A 42 -1.419 -2.589 -4.899 1.00 0.00 C ATOM 652 C VAL A 42 -1.853 -3.801 -5.724 1.00 0.00 C ATOM 653 O VAL A 42 -3.017 -3.911 -6.108 1.00 0.00 O ATOM 654 CB VAL A 42 -1.323 -2.889 -3.401 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.431 -4.104 -3.142 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.823 -1.667 -2.628 1.00 0.00 C ATOM 0 H VAL A 42 -3.311 -1.780 -5.294 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.416 -2.315 -5.227 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.324 -3.126 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.380 -4.296 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.848 -4.976 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.571 -3.908 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.764 -1.907 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.165 -1.386 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.514 -0.836 -2.774 1.00 0.00 H new ATOM 666 N LYS A 43 -0.895 -4.681 -5.974 1.00 0.00 N ATOM 667 CA LYS A 43 -1.163 -5.882 -6.747 1.00 0.00 C ATOM 668 C LYS A 43 -0.519 -7.084 -6.055 1.00 0.00 C ATOM 669 O LYS A 43 0.523 -7.571 -6.492 1.00 0.00 O ATOM 670 CB LYS A 43 -0.717 -5.695 -8.199 1.00 0.00 C ATOM 671 CG LYS A 43 -1.561 -6.551 -9.146 1.00 0.00 C ATOM 672 CD LYS A 43 -1.283 -6.188 -10.607 1.00 0.00 C ATOM 673 CE LYS A 43 -2.462 -5.428 -11.217 1.00 0.00 C ATOM 674 NZ LYS A 43 -3.462 -6.374 -11.761 1.00 0.00 N ATOM 0 H LYS A 43 0.069 -4.586 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.235 -6.076 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.804 -4.645 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.334 -5.965 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.342 -7.606 -8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.619 -6.407 -8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.382 -5.578 -10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.094 -7.095 -11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.925 -4.795 -10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.107 -4.769 -12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.256 -5.842 -12.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.020 -6.960 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.813 -6.985 -10.997 1.00 0.00 H new ATOM 688 N PHE A 44 -1.165 -7.529 -4.988 1.00 0.00 N ATOM 689 CA PHE A 44 -0.668 -8.665 -4.231 1.00 0.00 C ATOM 690 C PHE A 44 -1.598 -9.871 -4.377 1.00 0.00 C ATOM 691 O PHE A 44 -2.610 -9.798 -5.073 1.00 0.00 O ATOM 692 CB PHE A 44 -0.629 -8.241 -2.761 1.00 0.00 C ATOM 693 CG PHE A 44 -1.849 -7.435 -2.314 1.00 0.00 C ATOM 694 CD1 PHE A 44 -3.101 -7.876 -2.609 1.00 0.00 C ATOM 695 CD2 PHE A 44 -1.682 -6.277 -1.621 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.234 -7.128 -2.193 1.00 0.00 C ATOM 697 CE2 PHE A 44 -2.815 -5.528 -1.206 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.067 -5.969 -1.500 1.00 0.00 C ATOM 0 H PHE A 44 -2.029 -7.123 -4.629 1.00 0.00 H new ATOM 0 HA PHE A 44 0.317 -8.953 -4.598 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.547 -9.132 -2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.269 -7.648 -2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.234 -8.795 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.688 -5.927 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.228 -7.479 -2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.682 -4.608 -0.657 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.929 -5.400 -1.184 1.00 0.00 H new ATOM 708 N ASP A 45 -1.222 -10.952 -3.710 1.00 0.00 N ATOM 709 CA ASP A 45 -2.010 -12.172 -3.757 1.00 0.00 C ATOM 710 C ASP A 45 -2.980 -12.194 -2.574 1.00 0.00 C ATOM 711 O ASP A 45 -2.561 -12.099 -1.421 1.00 0.00 O ATOM 712 CB ASP A 45 -1.116 -13.410 -3.658 1.00 0.00 C ATOM 713 CG ASP A 45 -1.862 -14.745 -3.619 1.00 0.00 C ATOM 714 OD1 ASP A 45 -3.094 -14.713 -3.829 1.00 0.00 O ATOM 715 OD2 ASP A 45 -1.183 -15.767 -3.381 1.00 0.00 O ATOM 0 H ASP A 45 -0.382 -11.009 -3.134 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.547 -12.190 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.435 -13.416 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.504 -13.327 -2.760 1.00 0.00 H new ATOM 720 N GLU A 46 -4.258 -12.319 -2.899 1.00 0.00 N ATOM 721 CA GLU A 46 -5.291 -12.355 -1.878 1.00 0.00 C ATOM 722 C GLU A 46 -5.342 -13.737 -1.223 1.00 0.00 C ATOM 723 O GLU A 46 -6.094 -13.949 -0.272 1.00 0.00 O ATOM 724 CB GLU A 46 -6.653 -11.973 -2.461 1.00 0.00 C ATOM 725 CG GLU A 46 -7.422 -11.059 -1.505 1.00 0.00 C ATOM 726 CD GLU A 46 -7.932 -11.840 -0.292 1.00 0.00 C ATOM 727 OE1 GLU A 46 -9.024 -12.436 -0.420 1.00 0.00 O ATOM 728 OE2 GLU A 46 -7.220 -11.822 0.735 1.00 0.00 O ATOM 0 H GLU A 46 -4.602 -12.397 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.043 -11.620 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.515 -11.470 -3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.235 -12.874 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.775 -10.247 -1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.263 -10.604 -2.029 1.00 0.00 H new ATOM 735 N ALA A 47 -4.534 -14.640 -1.758 1.00 0.00 N ATOM 736 CA ALA A 47 -4.479 -15.996 -1.237 1.00 0.00 C ATOM 737 C ALA A 47 -3.623 -16.016 0.031 1.00 0.00 C ATOM 738 O ALA A 47 -3.799 -16.879 0.890 1.00 0.00 O ATOM 739 CB ALA A 47 -3.941 -16.936 -2.318 1.00 0.00 C ATOM 0 H ALA A 47 -3.912 -14.460 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.476 -16.345 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.899 -17.953 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.600 -16.907 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.940 -16.619 -2.611 1.00 0.00 H new ATOM 745 N ASN A 48 -2.714 -15.054 0.109 1.00 0.00 N ATOM 746 CA ASN A 48 -1.831 -14.951 1.258 1.00 0.00 C ATOM 747 C ASN A 48 -2.128 -13.651 2.008 1.00 0.00 C ATOM 748 O ASN A 48 -2.623 -13.680 3.134 1.00 0.00 O ATOM 749 CB ASN A 48 -0.364 -14.921 0.823 1.00 0.00 C ATOM 750 CG ASN A 48 -0.211 -15.388 -0.626 1.00 0.00 C ATOM 751 OD1 ASN A 48 -0.849 -16.327 -1.073 1.00 0.00 O ATOM 752 ND2 ASN A 48 0.667 -14.683 -1.332 1.00 0.00 N ATOM 0 H ASN A 48 -2.571 -14.340 -0.605 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.001 -15.819 1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.029 -13.909 0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.227 -15.561 1.479 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.840 -14.916 -2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.168 -13.908 -0.896 1.00 0.00 H new ATOM 759 N VAL A 49 -1.813 -12.543 1.355 1.00 0.00 N ATOM 760 CA VAL A 49 -2.040 -11.235 1.947 1.00 0.00 C ATOM 761 C VAL A 49 -3.484 -10.804 1.683 1.00 0.00 C ATOM 762 O VAL A 49 -4.161 -11.379 0.832 1.00 0.00 O ATOM 763 CB VAL A 49 -1.011 -10.235 1.416 1.00 0.00 C ATOM 764 CG1 VAL A 49 -1.247 -9.940 -0.066 1.00 0.00 C ATOM 765 CG2 VAL A 49 -1.024 -8.946 2.241 1.00 0.00 C ATOM 0 H VAL A 49 -1.402 -12.523 0.422 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.906 -11.276 3.028 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.024 -10.686 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.502 -9.227 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.164 -10.864 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.244 -9.519 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.284 -8.252 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.013 -8.491 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.785 -9.176 3.279 1.00 0.00 H new ATOM 775 N GLN A 50 -3.913 -9.796 2.428 1.00 0.00 N ATOM 776 CA GLN A 50 -5.264 -9.282 2.285 1.00 0.00 C ATOM 777 C GLN A 50 -5.235 -7.868 1.702 1.00 0.00 C ATOM 778 O GLN A 50 -5.062 -7.693 0.497 1.00 0.00 O ATOM 779 CB GLN A 50 -6.005 -9.308 3.623 1.00 0.00 C ATOM 780 CG GLN A 50 -6.631 -10.681 3.877 1.00 0.00 C ATOM 781 CD GLN A 50 -8.101 -10.548 4.278 1.00 0.00 C ATOM 782 OE1 GLN A 50 -8.447 -10.438 5.443 1.00 0.00 O ATOM 783 NE2 GLN A 50 -8.945 -10.565 3.250 1.00 0.00 N ATOM 0 H GLN A 50 -3.348 -9.321 3.133 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.806 -9.928 1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.314 -9.065 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.782 -8.544 3.627 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.549 -11.293 2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.081 -11.195 4.665 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.589 -10.660 2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.949 -10.483 3.413 1.00 0.00 H new ATOM 792 N ALA A 51 -5.407 -6.894 2.584 1.00 0.00 N ATOM 793 CA ALA A 51 -5.402 -5.501 2.172 1.00 0.00 C ATOM 794 C ALA A 51 -5.475 -4.607 3.411 1.00 0.00 C ATOM 795 O ALA A 51 -4.791 -3.588 3.487 1.00 0.00 O ATOM 796 CB ALA A 51 -6.560 -5.251 1.204 1.00 0.00 C ATOM 0 H ALA A 51 -5.551 -7.043 3.583 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.479 -5.260 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.556 -4.206 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.446 -5.889 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.504 -5.480 1.699 1.00 0.00 H new ATOM 802 N THR A 52 -6.311 -5.021 4.352 1.00 0.00 N ATOM 803 CA THR A 52 -6.482 -4.270 5.584 1.00 0.00 C ATOM 804 C THR A 52 -5.193 -4.296 6.408 1.00 0.00 C ATOM 805 O THR A 52 -4.843 -3.308 7.052 1.00 0.00 O ATOM 806 CB THR A 52 -7.689 -4.847 6.326 1.00 0.00 C ATOM 807 OG1 THR A 52 -8.728 -3.900 6.089 1.00 0.00 O ATOM 808 CG2 THR A 52 -7.507 -4.828 7.845 1.00 0.00 C ATOM 0 H THR A 52 -6.877 -5.867 4.286 1.00 0.00 H new ATOM 0 HA THR A 52 -6.680 -3.217 5.381 1.00 0.00 H new ATOM 0 HB THR A 52 -7.863 -5.871 5.994 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.549 -4.197 6.534 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.392 -5.248 8.323 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.633 -5.421 8.114 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.366 -3.801 8.182 1.00 0.00 H new ATOM 816 N GLU A 53 -4.522 -5.438 6.361 1.00 0.00 N ATOM 817 CA GLU A 53 -3.279 -5.606 7.096 1.00 0.00 C ATOM 818 C GLU A 53 -2.192 -4.700 6.514 1.00 0.00 C ATOM 819 O GLU A 53 -1.349 -4.187 7.247 1.00 0.00 O ATOM 820 CB GLU A 53 -2.834 -7.069 7.091 1.00 0.00 C ATOM 821 CG GLU A 53 -2.495 -7.544 8.506 1.00 0.00 C ATOM 822 CD GLU A 53 -1.012 -7.900 8.625 1.00 0.00 C ATOM 823 OE1 GLU A 53 -0.197 -6.952 8.594 1.00 0.00 O ATOM 824 OE2 GLU A 53 -0.727 -9.111 8.744 1.00 0.00 O ATOM 0 H GLU A 53 -4.815 -6.255 5.826 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.450 -5.316 8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.625 -7.692 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.963 -7.186 6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.744 -6.763 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.103 -8.414 8.757 1.00 0.00 H new ATOM 831 N ILE A 54 -2.248 -4.530 5.201 1.00 0.00 N ATOM 832 CA ILE A 54 -1.279 -3.695 4.513 1.00 0.00 C ATOM 833 C ILE A 54 -1.462 -2.241 4.952 1.00 0.00 C ATOM 834 O ILE A 54 -0.487 -1.505 5.095 1.00 0.00 O ATOM 835 CB ILE A 54 -1.376 -3.897 2.999 1.00 0.00 C ATOM 836 CG1 ILE A 54 -1.039 -5.340 2.616 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.502 -2.887 2.253 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.430 -5.627 1.165 1.00 0.00 C ATOM 0 H ILE A 54 -2.950 -4.957 4.596 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.264 -3.986 4.786 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.407 -3.715 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.028 -5.516 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.562 -6.028 3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.590 -3.053 1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.830 -1.875 2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.538 -3.012 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.180 -6.659 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.502 -5.473 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.887 -4.954 0.502 1.00 0.00 H new ATOM 850 N CYS A 55 -2.718 -1.870 5.153 1.00 0.00 N ATOM 851 CA CYS A 55 -3.041 -0.518 5.572 1.00 0.00 C ATOM 852 C CYS A 55 -2.381 -0.265 6.929 1.00 0.00 C ATOM 853 O CYS A 55 -1.835 0.812 7.166 1.00 0.00 O ATOM 854 CB CYS A 55 -4.553 -0.287 5.622 1.00 0.00 C ATOM 855 SG CYS A 55 -5.036 0.970 4.382 1.00 0.00 S ATOM 0 H CYS A 55 -3.524 -2.483 5.033 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.654 0.193 4.842 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.079 -1.222 5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.846 0.042 6.619 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.105 1.070 3.480 1.00 0.00 H new ATOM 861 N GLN A 56 -2.451 -1.275 7.783 1.00 0.00 N ATOM 862 CA GLN A 56 -1.867 -1.175 9.110 1.00 0.00 C ATOM 863 C GLN A 56 -0.393 -0.775 9.012 1.00 0.00 C ATOM 864 O GLN A 56 0.107 -0.025 9.849 1.00 0.00 O ATOM 865 CB GLN A 56 -2.028 -2.487 9.880 1.00 0.00 C ATOM 866 CG GLN A 56 -2.465 -2.226 11.323 1.00 0.00 C ATOM 867 CD GLN A 56 -1.425 -2.751 12.314 1.00 0.00 C ATOM 868 OE1 GLN A 56 -1.122 -3.932 12.369 1.00 0.00 O ATOM 869 NE2 GLN A 56 -0.897 -1.811 13.093 1.00 0.00 N ATOM 0 H GLN A 56 -2.903 -2.167 7.582 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.398 -0.400 9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.765 -3.117 9.382 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.085 -3.034 9.875 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.610 -1.156 11.475 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.425 -2.707 11.509 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.195 -0.841 12.995 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.194 -2.061 13.788 1.00 0.00 H new ATOM 878 N ALA A 57 0.260 -1.293 7.982 1.00 0.00 N ATOM 879 CA ALA A 57 1.666 -0.998 7.764 1.00 0.00 C ATOM 880 C ALA A 57 1.832 0.495 7.475 1.00 0.00 C ATOM 881 O ALA A 57 2.838 1.096 7.850 1.00 0.00 O ATOM 882 CB ALA A 57 2.201 -1.874 6.629 1.00 0.00 C ATOM 0 H ALA A 57 -0.158 -1.915 7.290 1.00 0.00 H new ATOM 0 HA ALA A 57 2.248 -1.227 8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.256 -1.653 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.088 -2.925 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.641 -1.669 5.716 1.00 0.00 H new ATOM 888 N ILE A 58 0.829 1.051 6.811 1.00 0.00 N ATOM 889 CA ILE A 58 0.851 2.463 6.468 1.00 0.00 C ATOM 890 C ILE A 58 0.713 3.296 7.744 1.00 0.00 C ATOM 891 O ILE A 58 1.531 4.177 8.007 1.00 0.00 O ATOM 892 CB ILE A 58 -0.212 2.774 5.413 1.00 0.00 C ATOM 893 CG1 ILE A 58 0.155 2.152 4.064 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.451 4.282 5.302 1.00 0.00 C ATOM 895 CD1 ILE A 58 1.581 2.528 3.657 1.00 0.00 C ATOM 0 H ILE A 58 -0.004 0.550 6.502 1.00 0.00 H new ATOM 0 HA ILE A 58 1.806 2.730 6.014 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.151 2.321 5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.064 1.067 4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.546 2.490 3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.211 4.475 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.790 4.668 6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.477 4.778 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.817 2.073 2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.662 3.612 3.576 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.281 2.167 4.410 1.00 0.00 H new ATOM 907 N ASN A 59 -0.328 2.988 8.504 1.00 0.00 N ATOM 908 CA ASN A 59 -0.584 3.697 9.746 1.00 0.00 C ATOM 909 C ASN A 59 0.581 3.463 10.711 1.00 0.00 C ATOM 910 O ASN A 59 0.844 4.289 11.584 1.00 0.00 O ATOM 911 CB ASN A 59 -1.862 3.190 10.417 1.00 0.00 C ATOM 912 CG ASN A 59 -3.062 4.060 10.037 1.00 0.00 C ATOM 913 OD1 ASN A 59 -3.233 5.170 10.513 1.00 0.00 O ATOM 914 ND2 ASN A 59 -3.881 3.496 9.154 1.00 0.00 N ATOM 0 H ASN A 59 -1.004 2.257 8.283 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.695 4.756 9.513 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.048 2.158 10.120 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.734 3.193 11.500 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.711 3.997 8.836 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.679 2.563 8.795 1.00 0.00 H new ATOM 921 N GLU A 60 1.246 2.333 10.522 1.00 0.00 N ATOM 922 CA GLU A 60 2.376 1.979 11.364 1.00 0.00 C ATOM 923 C GLU A 60 3.513 2.985 11.176 1.00 0.00 C ATOM 924 O GLU A 60 4.471 2.996 11.948 1.00 0.00 O ATOM 925 CB GLU A 60 2.851 0.554 11.075 1.00 0.00 C ATOM 926 CG GLU A 60 3.764 0.043 12.191 1.00 0.00 C ATOM 927 CD GLU A 60 4.969 -0.703 11.616 1.00 0.00 C ATOM 928 OE1 GLU A 60 5.773 -0.038 10.927 1.00 0.00 O ATOM 929 OE2 GLU A 60 5.059 -1.923 11.877 1.00 0.00 O ATOM 0 H GLU A 60 1.024 1.650 9.798 1.00 0.00 H new ATOM 0 HA GLU A 60 2.054 2.014 12.405 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.990 -0.107 10.974 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.384 0.530 10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.107 0.881 12.798 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.203 -0.619 12.850 1.00 0.00 H new ATOM 936 N LEU A 61 3.370 3.807 10.147 1.00 0.00 N ATOM 937 CA LEU A 61 4.373 4.815 9.848 1.00 0.00 C ATOM 938 C LEU A 61 4.083 6.075 10.665 1.00 0.00 C ATOM 939 O LEU A 61 4.742 6.332 11.672 1.00 0.00 O ATOM 940 CB LEU A 61 4.450 5.063 8.340 1.00 0.00 C ATOM 941 CG LEU A 61 4.480 3.816 7.455 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.524 4.195 5.974 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.638 2.895 7.846 1.00 0.00 C ATOM 0 H LEU A 61 2.574 3.796 9.509 1.00 0.00 H new ATOM 0 HA LEU A 61 5.363 4.466 10.141 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.594 5.671 8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.344 5.652 8.134 1.00 0.00 H new ATOM 0 HG LEU A 61 3.557 3.260 7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.545 3.290 5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.640 4.781 5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.419 4.785 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.637 2.016 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.582 3.428 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.521 2.584 8.884 1.00 0.00 H new ATOM 955 N GLY A 62 3.097 6.828 10.202 1.00 0.00 N ATOM 956 CA GLY A 62 2.711 8.056 10.877 1.00 0.00 C ATOM 957 C GLY A 62 1.696 8.843 10.047 1.00 0.00 C ATOM 958 O GLY A 62 1.744 10.072 10.002 1.00 0.00 O ATOM 0 H GLY A 62 2.553 6.612 9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.284 7.820 11.852 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.594 8.670 11.056 1.00 0.00 H new ATOM 962 N TYR A 63 0.800 8.104 9.410 1.00 0.00 N ATOM 963 CA TYR A 63 -0.226 8.717 8.583 1.00 0.00 C ATOM 964 C TYR A 63 -1.536 7.931 8.661 1.00 0.00 C ATOM 965 O TYR A 63 -1.654 6.992 9.446 1.00 0.00 O ATOM 966 CB TYR A 63 0.302 8.665 7.148 1.00 0.00 C ATOM 967 CG TYR A 63 1.829 8.649 7.047 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.556 9.765 7.408 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.479 7.519 6.595 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.993 9.750 7.313 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.916 7.504 6.499 1.00 0.00 C ATOM 972 CZ TYR A 63 4.602 8.620 6.863 1.00 0.00 C ATOM 973 OH TYR A 63 5.959 8.606 6.773 1.00 0.00 O ATOM 0 H TYR A 63 0.763 7.085 9.450 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.430 9.734 8.917 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.094 7.775 6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.079 9.527 6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.047 10.650 7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.910 6.645 6.313 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.574 10.616 7.593 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.437 6.626 6.146 1.00 0.00 H new ATOM 0 HH TYR A 63 6.256 7.734 6.438 1.00 0.00 H new ATOM 983 N GLN A 64 -2.486 8.343 7.835 1.00 0.00 N ATOM 984 CA GLN A 64 -3.783 7.689 7.800 1.00 0.00 C ATOM 985 C GLN A 64 -3.906 6.821 6.546 1.00 0.00 C ATOM 986 O GLN A 64 -3.420 7.194 5.479 1.00 0.00 O ATOM 987 CB GLN A 64 -4.916 8.714 7.871 1.00 0.00 C ATOM 988 CG GLN A 64 -5.924 8.343 8.961 1.00 0.00 C ATOM 989 CD GLN A 64 -5.975 9.417 10.049 1.00 0.00 C ATOM 990 OE1 GLN A 64 -5.342 9.317 11.087 1.00 0.00 O ATOM 991 NE2 GLN A 64 -6.763 10.448 9.756 1.00 0.00 N ATOM 0 H GLN A 64 -2.384 9.122 7.185 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.866 7.044 8.674 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.504 9.703 8.073 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.422 8.770 6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.913 8.220 8.520 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.651 7.385 9.403 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.265 10.470 8.869 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.865 11.217 10.419 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.559 5.681 6.716 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.753 4.758 5.611 1.00 0.00 C ATOM 1002 C ALA A 65 -6.108 4.065 5.762 1.00 0.00 C ATOM 1003 O ALA A 65 -6.398 3.482 6.806 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.591 3.763 5.567 1.00 0.00 C ATOM 0 H ALA A 65 -4.960 5.375 7.602 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.761 5.293 4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.736 3.070 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.654 4.303 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.553 3.206 6.503 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.902 4.150 4.705 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.220 3.539 4.708 1.00 0.00 C ATOM 1012 C GLU A 66 -8.366 2.588 3.518 1.00 0.00 C ATOM 1013 O GLU A 66 -8.294 3.014 2.366 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.319 4.603 4.697 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.793 4.916 6.117 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.223 5.461 6.110 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -12.030 4.928 5.318 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -11.478 6.398 6.898 1.00 0.00 O ATOM 0 H GLU A 66 -6.658 4.633 3.840 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.329 2.962 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.945 5.512 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.160 4.256 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.747 4.014 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.124 5.645 6.575 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.569 1.318 3.837 1.00 0.00 N ATOM 1026 CA VAL A 67 -8.726 0.304 2.809 1.00 0.00 C ATOM 1027 C VAL A 67 -10.037 0.543 2.058 1.00 0.00 C ATOM 1028 O VAL A 67 -11.083 0.739 2.675 1.00 0.00 O ATOM 1029 CB VAL A 67 -8.640 -1.091 3.433 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.263 -2.142 2.512 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.193 -1.450 3.775 1.00 0.00 C ATOM 0 H VAL A 67 -8.628 0.968 4.793 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.918 0.371 2.081 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.210 -1.079 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.189 -3.124 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.312 -1.900 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.733 -2.152 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.160 -2.446 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.590 -1.436 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.796 -0.725 4.485 1.00 0.00 H new ATOM 1041 N ILE A 68 -9.939 0.520 0.737 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.104 0.732 -0.104 1.00 0.00 C ATOM 1043 C ILE A 68 -11.278 -0.467 -1.039 1.00 0.00 C ATOM 1044 O ILE A 68 -11.530 -0.298 -2.231 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.000 2.071 -0.836 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -9.820 2.892 -0.311 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.317 2.845 -0.754 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -9.934 4.355 -0.745 1.00 0.00 C ATOM 0 H ILE A 68 -9.070 0.358 0.228 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.006 0.796 0.505 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.810 1.870 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.787 2.833 0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.886 2.471 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.215 3.793 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.113 2.258 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.562 3.036 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.083 4.916 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.943 4.412 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.858 4.780 -0.352 1.00 0.00 H new