USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 200 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 200 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 300 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 300 CACA :(metal ligand) USER MOD Set 1.1: A 62 THR OG1 : rot 76:sc= 0.794 USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0.995 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 51 MET CE :methyl 162:sc= -0.16 (180deg=-0.774) USER MOD Single : A 53 ASN : amide:sc= -1.05 K(o=-1,f=-0.017) USER MOD Single : A 70 THR OG1 : rot 85:sc= 0.15 USER MOD Single : A 71 MET CE :methyl 170:sc= 0 (180deg=-0.199) USER MOD Single : A 72 MET CE :methyl -169:sc=-0.00839 (180deg=-0.199) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 176:sc= 0 (180deg=-0.0385) USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= -0.346 (180deg=-0.37) USER MOD Single : A 79 THR OG1 : rot -29:sc= 0.888 USER MOD Single : A 81 SER OG : rot -148:sc= 0.0857 USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= 0.411 (180deg=-0.193) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.72) USER MOD Single : A 109 MET CE :methyl 179:sc= -1.69 (180deg=-1.77) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 46 16.254 0.657 -9.294 1.00 0.00 N ATOM 2 CA ALA A 46 15.109 1.260 -8.581 1.00 0.00 C ATOM 3 C ALA A 46 14.744 0.438 -7.353 1.00 0.00 C ATOM 4 O ALA A 46 13.848 -0.409 -7.400 1.00 0.00 O ATOM 5 CB ALA A 46 13.907 1.382 -9.507 1.00 0.00 C ATOM 0 HA ALA A 46 15.402 2.258 -8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.074 1.828 -8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.165 2.013 -10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.620 0.393 -9.863 1.00 0.00 H new ATOM 13 N GLU A 47 15.448 0.688 -6.259 1.00 0.00 N ATOM 14 CA GLU A 47 15.142 0.048 -4.992 1.00 0.00 C ATOM 15 C GLU A 47 13.996 0.795 -4.333 1.00 0.00 C ATOM 16 O GLU A 47 13.992 2.030 -4.311 1.00 0.00 O ATOM 17 CB GLU A 47 16.372 0.046 -4.084 1.00 0.00 C ATOM 18 CG GLU A 47 17.557 -0.702 -4.671 1.00 0.00 C ATOM 19 CD GLU A 47 18.720 -0.791 -3.709 1.00 0.00 C ATOM 20 OE1 GLU A 47 18.777 -1.767 -2.931 1.00 0.00 O ATOM 21 OE2 GLU A 47 19.581 0.114 -3.723 1.00 0.00 O ATOM 0 H GLU A 47 16.238 1.332 -6.225 1.00 0.00 H new ATOM 0 HA GLU A 47 14.852 -0.988 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.666 1.076 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.107 -0.403 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.245 -1.708 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.882 -0.202 -5.584 1.00 0.00 H new ATOM 28 N LEU A 48 13.022 0.064 -3.809 1.00 0.00 N ATOM 29 CA LEU A 48 11.786 0.660 -3.314 1.00 0.00 C ATOM 30 C LEU A 48 11.984 1.556 -2.093 1.00 0.00 C ATOM 31 O LEU A 48 11.025 2.159 -1.623 1.00 0.00 O ATOM 32 CB LEU A 48 10.770 -0.442 -2.983 1.00 0.00 C ATOM 33 CG LEU A 48 10.039 -1.072 -4.178 1.00 0.00 C ATOM 34 CD1 LEU A 48 9.259 -0.018 -4.944 1.00 0.00 C ATOM 35 CD2 LEU A 48 11.006 -1.795 -5.104 1.00 0.00 C ATOM 0 H LEU A 48 13.064 -0.951 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 48 11.413 1.299 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.288 -1.234 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.024 -0.028 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 48 9.339 -1.809 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.748 -0.484 -5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.524 0.442 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.944 0.746 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.455 -2.229 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.743 -1.088 -5.484 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.514 -2.587 -4.553 1.00 0.00 H new ATOM 47 N GLN A 49 13.204 1.648 -1.573 1.00 0.00 N ATOM 48 CA GLN A 49 13.482 2.548 -0.456 1.00 0.00 C ATOM 49 C GLN A 49 13.112 3.984 -0.827 1.00 0.00 C ATOM 50 O GLN A 49 12.380 4.660 -0.100 1.00 0.00 O ATOM 51 CB GLN A 49 14.954 2.478 -0.046 1.00 0.00 C ATOM 52 CG GLN A 49 15.287 3.365 1.143 1.00 0.00 C ATOM 53 CD GLN A 49 16.750 3.310 1.527 1.00 0.00 C ATOM 54 OE1 GLN A 49 17.624 3.096 0.684 1.00 0.00 O ATOM 55 NE2 GLN A 49 17.029 3.503 2.804 1.00 0.00 N ATOM 0 H GLN A 49 14.010 1.116 -1.902 1.00 0.00 H new ATOM 0 HA GLN A 49 12.875 2.230 0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.208 1.446 0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.575 2.769 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 49 15.016 4.395 0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.681 3.062 1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.276 3.677 3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.997 3.478 3.124 1.00 0.00 H new ATOM 64 N ASP A 50 13.600 4.433 -1.979 1.00 0.00 N ATOM 65 CA ASP A 50 13.292 5.775 -2.467 1.00 0.00 C ATOM 66 C ASP A 50 11.801 5.905 -2.749 1.00 0.00 C ATOM 67 O ASP A 50 11.200 6.957 -2.528 1.00 0.00 O ATOM 68 CB ASP A 50 14.099 6.089 -3.730 1.00 0.00 C ATOM 69 CG ASP A 50 13.782 7.459 -4.301 1.00 0.00 C ATOM 70 OD1 ASP A 50 14.052 8.471 -3.617 1.00 0.00 O ATOM 71 OD2 ASP A 50 13.280 7.531 -5.442 1.00 0.00 O ATOM 0 H ASP A 50 14.209 3.890 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 50 13.568 6.493 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.163 6.033 -3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.896 5.329 -4.485 1.00 0.00 H new ATOM 76 N MET A 51 11.203 4.810 -3.204 1.00 0.00 N ATOM 77 CA MET A 51 9.775 4.777 -3.485 1.00 0.00 C ATOM 78 C MET A 51 8.978 4.928 -2.191 1.00 0.00 C ATOM 79 O MET A 51 7.885 5.489 -2.188 1.00 0.00 O ATOM 80 CB MET A 51 9.398 3.474 -4.190 1.00 0.00 C ATOM 81 CG MET A 51 7.964 3.440 -4.700 1.00 0.00 C ATOM 82 SD MET A 51 7.632 4.716 -5.932 1.00 0.00 S ATOM 83 CE MET A 51 8.851 4.309 -7.181 1.00 0.00 C ATOM 0 H MET A 51 11.688 3.931 -3.386 1.00 0.00 H new ATOM 0 HA MET A 51 9.533 5.610 -4.145 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.075 3.318 -5.030 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.548 2.643 -3.501 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.760 2.461 -5.133 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.281 3.565 -3.860 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.577 4.782 -8.124 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.830 4.670 -6.865 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.888 3.228 -7.314 1.00 0.00 H new ATOM 93 N ILE A 52 9.540 4.440 -1.085 1.00 0.00 N ATOM 94 CA ILE A 52 8.926 4.634 0.224 1.00 0.00 C ATOM 95 C ILE A 52 8.894 6.120 0.537 1.00 0.00 C ATOM 96 O ILE A 52 7.876 6.659 0.954 1.00 0.00 O ATOM 97 CB ILE A 52 9.696 3.906 1.357 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.697 2.394 1.133 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.093 4.241 2.717 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.514 1.625 2.149 1.00 0.00 C ATOM 0 H ILE A 52 10.412 3.912 -1.071 1.00 0.00 H new ATOM 0 HA ILE A 52 7.922 4.213 0.180 1.00 0.00 H new ATOM 0 HB ILE A 52 10.729 4.254 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.669 2.032 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.084 2.184 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.647 3.721 3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.151 5.316 2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.050 3.926 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.466 0.560 1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.551 1.958 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.114 1.803 3.147 1.00 0.00 H new ATOM 112 N ASN A 53 10.015 6.774 0.274 1.00 0.00 N ATOM 113 CA ASN A 53 10.176 8.192 0.570 1.00 0.00 C ATOM 114 C ASN A 53 9.264 9.054 -0.300 1.00 0.00 C ATOM 115 O ASN A 53 8.906 10.170 0.081 1.00 0.00 O ATOM 116 CB ASN A 53 11.634 8.607 0.372 1.00 0.00 C ATOM 117 CG ASN A 53 12.572 7.923 1.350 1.00 0.00 C ATOM 118 OD1 ASN A 53 13.714 7.604 1.012 1.00 0.00 O ATOM 119 ND2 ASN A 53 12.106 7.713 2.572 1.00 0.00 N ATOM 0 H ASN A 53 10.836 6.341 -0.149 1.00 0.00 H new ATOM 0 HA ASN A 53 9.892 8.350 1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.941 8.370 -0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.719 9.688 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.699 7.272 3.275 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.154 7.993 2.810 1.00 0.00 H new ATOM 126 N GLU A 54 8.889 8.541 -1.466 1.00 0.00 N ATOM 127 CA GLU A 54 8.007 9.270 -2.368 1.00 0.00 C ATOM 128 C GLU A 54 6.534 9.023 -2.039 1.00 0.00 C ATOM 129 O GLU A 54 5.723 9.952 -2.053 1.00 0.00 O ATOM 130 CB GLU A 54 8.281 8.862 -3.819 1.00 0.00 C ATOM 131 CG GLU A 54 9.651 9.284 -4.328 1.00 0.00 C ATOM 132 CD GLU A 54 9.803 10.787 -4.394 1.00 0.00 C ATOM 133 OE1 GLU A 54 9.319 11.396 -5.366 1.00 0.00 O ATOM 134 OE2 GLU A 54 10.414 11.369 -3.475 1.00 0.00 O ATOM 0 H GLU A 54 9.181 7.626 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 54 8.212 10.333 -2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.189 7.779 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.515 9.299 -4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.421 8.872 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.813 8.861 -5.319 1.00 0.00 H new ATOM 141 N VAL A 55 6.193 7.775 -1.739 1.00 0.00 N ATOM 142 CA VAL A 55 4.791 7.396 -1.572 1.00 0.00 C ATOM 143 C VAL A 55 4.302 7.587 -0.132 1.00 0.00 C ATOM 144 O VAL A 55 3.134 7.906 0.091 1.00 0.00 O ATOM 145 CB VAL A 55 4.556 5.932 -2.013 1.00 0.00 C ATOM 146 CG1 VAL A 55 3.091 5.547 -1.880 1.00 0.00 C ATOM 147 CG2 VAL A 55 5.028 5.721 -3.442 1.00 0.00 C ATOM 0 H VAL A 55 6.859 7.014 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 55 4.213 8.062 -2.212 1.00 0.00 H new ATOM 0 HB VAL A 55 5.138 5.288 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.956 4.513 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.780 5.651 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.485 6.201 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.854 4.685 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.476 6.383 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.093 5.943 -3.510 1.00 0.00 H new ATOM 157 N ASP A 56 5.191 7.404 0.841 1.00 0.00 N ATOM 158 CA ASP A 56 4.849 7.668 2.238 1.00 0.00 C ATOM 159 C ASP A 56 4.449 9.121 2.405 1.00 0.00 C ATOM 160 O ASP A 56 5.204 10.033 2.063 1.00 0.00 O ATOM 161 CB ASP A 56 6.006 7.326 3.168 1.00 0.00 C ATOM 162 CG ASP A 56 5.553 7.083 4.595 1.00 0.00 C ATOM 163 OD1 ASP A 56 4.344 7.181 4.844 1.00 0.00 O ATOM 164 OD2 ASP A 56 6.403 6.802 5.484 1.00 0.00 O ATOM 0 H ASP A 56 6.145 7.077 0.691 1.00 0.00 H new ATOM 0 HA ASP A 56 4.008 7.030 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.516 6.437 2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.731 8.139 3.154 1.00 0.00 H new ATOM 169 N ALA A 57 3.264 9.317 2.942 1.00 0.00 N ATOM 170 CA ALA A 57 2.668 10.638 3.012 1.00 0.00 C ATOM 171 C ALA A 57 2.927 11.264 4.367 1.00 0.00 C ATOM 172 O ALA A 57 3.028 12.481 4.494 1.00 0.00 O ATOM 173 CB ALA A 57 1.172 10.561 2.737 1.00 0.00 C ATOM 0 H ALA A 57 2.689 8.574 3.340 1.00 0.00 H new ATOM 0 HA ALA A 57 3.127 11.266 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.740 11.560 2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.006 10.149 1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.698 9.918 3.479 1.00 0.00 H new ATOM 179 N ASP A 58 3.040 10.419 5.376 1.00 0.00 N ATOM 180 CA ASP A 58 3.202 10.878 6.742 1.00 0.00 C ATOM 181 C ASP A 58 4.576 10.513 7.291 1.00 0.00 C ATOM 182 O ASP A 58 4.990 11.028 8.329 1.00 0.00 O ATOM 183 CB ASP A 58 2.120 10.270 7.631 1.00 0.00 C ATOM 184 CG ASP A 58 2.305 8.780 7.821 1.00 0.00 C ATOM 185 OD1 ASP A 58 2.670 8.081 6.836 1.00 0.00 O ATOM 186 OD2 ASP A 58 2.096 8.296 8.943 1.00 0.00 O ATOM 0 H ASP A 58 3.022 9.404 5.273 1.00 0.00 H new ATOM 0 HA ASP A 58 3.110 11.964 6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.132 10.763 8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.141 10.459 7.190 1.00 0.00 H new ATOM 191 N GLY A 59 5.291 9.634 6.594 1.00 0.00 N ATOM 192 CA GLY A 59 6.617 9.250 7.051 1.00 0.00 C ATOM 193 C GLY A 59 6.613 8.177 8.132 1.00 0.00 C ATOM 194 O GLY A 59 7.598 8.026 8.856 1.00 0.00 O ATOM 0 H GLY A 59 4.982 9.185 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.194 8.891 6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.129 10.134 7.432 1.00 0.00 H new ATOM 198 N ASN A 60 5.519 7.429 8.252 1.00 0.00 N ATOM 199 CA ASN A 60 5.445 6.316 9.209 1.00 0.00 C ATOM 200 C ASN A 60 6.159 5.070 8.677 1.00 0.00 C ATOM 201 O ASN A 60 6.227 4.041 9.353 1.00 0.00 O ATOM 202 CB ASN A 60 3.979 5.988 9.549 1.00 0.00 C ATOM 203 CG ASN A 60 3.169 5.482 8.365 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.539 5.685 7.208 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.026 4.866 8.640 1.00 0.00 N ATOM 0 H ASN A 60 4.671 7.569 7.702 1.00 0.00 H new ATOM 0 HA ASN A 60 5.955 6.631 10.120 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.959 5.236 10.338 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.500 6.882 9.948 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.424 4.545 7.881 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.749 4.714 9.610 1.00 0.00 H new ATOM 212 N GLY A 61 6.677 5.166 7.458 1.00 0.00 N ATOM 213 CA GLY A 61 7.439 4.079 6.876 1.00 0.00 C ATOM 214 C GLY A 61 6.586 3.192 5.996 1.00 0.00 C ATOM 215 O GLY A 61 7.059 2.191 5.458 1.00 0.00 O ATOM 0 H GLY A 61 6.581 5.985 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.262 4.487 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.882 3.481 7.672 1.00 0.00 H new ATOM 219 N THR A 62 5.323 3.556 5.850 1.00 0.00 N ATOM 220 CA THR A 62 4.392 2.738 5.101 1.00 0.00 C ATOM 221 C THR A 62 3.197 3.564 4.640 1.00 0.00 C ATOM 222 O THR A 62 3.111 4.768 4.906 1.00 0.00 O ATOM 223 CB THR A 62 3.908 1.543 5.964 1.00 0.00 C ATOM 224 OG1 THR A 62 3.177 0.607 5.164 1.00 0.00 O ATOM 225 CG2 THR A 62 3.037 2.014 7.120 1.00 0.00 C ATOM 0 H THR A 62 4.923 4.409 6.240 1.00 0.00 H new ATOM 0 HA THR A 62 4.909 2.354 4.222 1.00 0.00 H new ATOM 0 HB THR A 62 4.793 1.054 6.372 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.802 0.085 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.714 1.154 7.706 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.609 2.691 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.163 2.535 6.728 1.00 0.00 H new ATOM 233 N ILE A 63 2.307 2.924 3.917 1.00 0.00 N ATOM 234 CA ILE A 63 1.028 3.504 3.588 1.00 0.00 C ATOM 235 C ILE A 63 -0.003 3.064 4.617 1.00 0.00 C ATOM 236 O ILE A 63 -0.007 1.911 5.051 1.00 0.00 O ATOM 237 CB ILE A 63 0.589 3.100 2.158 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.925 4.209 1.163 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.886 2.741 2.096 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.534 3.886 -0.263 1.00 0.00 C ATOM 0 H ILE A 63 2.451 1.987 3.541 1.00 0.00 H new ATOM 0 HA ILE A 63 1.113 4.591 3.609 1.00 0.00 H new ATOM 0 HB ILE A 63 1.147 2.205 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.421 5.125 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.996 4.407 1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.150 2.464 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.085 1.902 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.483 3.599 2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.803 4.719 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.058 2.988 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.542 3.718 -0.316 1.00 0.00 H new ATOM 252 N ASP A 64 -0.869 3.984 4.997 1.00 0.00 N ATOM 253 CA ASP A 64 -1.931 3.702 5.942 1.00 0.00 C ATOM 254 C ASP A 64 -3.225 3.790 5.156 1.00 0.00 C ATOM 255 O ASP A 64 -3.188 4.198 3.991 1.00 0.00 O ATOM 256 CB ASP A 64 -1.921 4.724 7.085 1.00 0.00 C ATOM 257 CG ASP A 64 -2.562 4.207 8.361 1.00 0.00 C ATOM 258 OD1 ASP A 64 -3.787 3.971 8.354 1.00 0.00 O ATOM 259 OD2 ASP A 64 -1.850 4.026 9.368 1.00 0.00 O ATOM 0 H ASP A 64 -0.856 4.946 4.659 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.809 2.719 6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.891 5.013 7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.445 5.624 6.763 1.00 0.00 H new ATOM 264 N PHE A 65 -4.350 3.428 5.743 1.00 0.00 N ATOM 265 CA PHE A 65 -5.624 3.517 5.033 1.00 0.00 C ATOM 266 C PHE A 65 -5.864 4.927 4.473 1.00 0.00 C ATOM 267 O PHE A 65 -6.204 5.066 3.295 1.00 0.00 O ATOM 268 CB PHE A 65 -6.781 3.062 5.922 1.00 0.00 C ATOM 269 CG PHE A 65 -6.822 1.570 6.103 1.00 0.00 C ATOM 270 CD1 PHE A 65 -5.951 0.938 6.979 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.719 0.798 5.384 1.00 0.00 C ATOM 272 CE1 PHE A 65 -5.979 -0.433 7.135 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.750 -0.575 5.533 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.878 -1.192 6.411 1.00 0.00 C ATOM 0 H PHE A 65 -4.415 3.073 6.697 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.574 2.839 4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.694 3.540 6.898 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.722 3.397 5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.243 1.525 7.545 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.403 1.275 4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.298 -0.912 7.823 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.454 -1.165 4.965 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.900 -2.265 6.531 1.00 0.00 H new ATOM 284 N PRO A 66 -5.681 5.994 5.287 1.00 0.00 N ATOM 285 CA PRO A 66 -5.732 7.375 4.794 1.00 0.00 C ATOM 286 C PRO A 66 -4.750 7.628 3.649 1.00 0.00 C ATOM 287 O PRO A 66 -5.118 8.212 2.631 1.00 0.00 O ATOM 288 CB PRO A 66 -5.347 8.223 6.017 1.00 0.00 C ATOM 289 CG PRO A 66 -4.774 7.263 7.002 1.00 0.00 C ATOM 290 CD PRO A 66 -5.460 5.958 6.741 1.00 0.00 C ATOM 0 HA PRO A 66 -6.715 7.613 4.388 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.621 8.991 5.749 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -6.216 8.736 6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.695 7.170 6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.948 7.600 8.024 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.842 5.110 7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.397 5.876 7.291 1.00 0.00 H new ATOM 298 N GLU A 67 -3.504 7.172 3.805 1.00 0.00 N ATOM 299 CA GLU A 67 -2.475 7.432 2.803 1.00 0.00 C ATOM 300 C GLU A 67 -2.849 6.829 1.453 1.00 0.00 C ATOM 301 O GLU A 67 -2.868 7.532 0.447 1.00 0.00 O ATOM 302 CB GLU A 67 -1.120 6.883 3.249 1.00 0.00 C ATOM 303 CG GLU A 67 -0.603 7.498 4.538 1.00 0.00 C ATOM 304 CD GLU A 67 0.798 7.036 4.884 1.00 0.00 C ATOM 305 OE1 GLU A 67 1.775 7.534 4.307 1.00 0.00 O ATOM 306 OE2 GLU A 67 0.964 6.144 5.731 1.00 0.00 O ATOM 0 H GLU A 67 -3.189 6.627 4.608 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.401 8.514 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.201 5.804 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.391 7.055 2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.611 8.584 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.278 7.242 5.355 1.00 0.00 H new ATOM 313 N PHE A 68 -3.155 5.535 1.441 1.00 0.00 N ATOM 314 CA PHE A 68 -3.451 4.827 0.196 1.00 0.00 C ATOM 315 C PHE A 68 -4.635 5.464 -0.523 1.00 0.00 C ATOM 316 O PHE A 68 -4.577 5.725 -1.724 1.00 0.00 O ATOM 317 CB PHE A 68 -3.750 3.349 0.473 1.00 0.00 C ATOM 318 CG PHE A 68 -3.625 2.461 -0.737 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.394 1.955 -1.125 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.744 2.136 -1.492 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.281 1.143 -2.237 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.637 1.323 -2.608 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.383 0.813 -2.969 1.00 0.00 C ATOM 0 H PHE A 68 -3.205 4.954 2.278 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.572 4.898 -0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.070 2.990 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.761 3.262 0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.512 2.199 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.711 2.522 -1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.312 0.766 -2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.512 1.084 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.290 0.160 -3.824 1.00 0.00 H new ATOM 333 N LEU A 69 -5.702 5.721 0.221 1.00 0.00 N ATOM 334 CA LEU A 69 -6.920 6.270 -0.353 1.00 0.00 C ATOM 335 C LEU A 69 -6.732 7.693 -0.844 1.00 0.00 C ATOM 336 O LEU A 69 -7.173 8.037 -1.942 1.00 0.00 O ATOM 337 CB LEU A 69 -8.064 6.210 0.655 1.00 0.00 C ATOM 338 CG LEU A 69 -8.794 4.876 0.692 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.983 4.931 1.637 1.00 0.00 C ATOM 340 CD2 LEU A 69 -9.229 4.511 -0.714 1.00 0.00 C ATOM 0 H LEU A 69 -5.747 5.557 1.227 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.170 5.655 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.669 6.423 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.781 6.997 0.421 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.120 4.107 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.487 3.965 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.637 5.168 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.679 5.700 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.753 3.556 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.894 5.283 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.352 4.432 -1.357 1.00 0.00 H new ATOM 352 N THR A 70 -6.081 8.518 -0.045 1.00 0.00 N ATOM 353 CA THR A 70 -5.907 9.906 -0.409 1.00 0.00 C ATOM 354 C THR A 70 -4.865 10.060 -1.519 1.00 0.00 C ATOM 355 O THR A 70 -5.068 10.817 -2.455 1.00 0.00 O ATOM 356 CB THR A 70 -5.532 10.768 0.811 1.00 0.00 C ATOM 357 OG1 THR A 70 -6.587 10.710 1.783 1.00 0.00 O ATOM 358 CG2 THR A 70 -5.291 12.216 0.410 1.00 0.00 C ATOM 0 H THR A 70 -5.669 8.253 0.850 1.00 0.00 H new ATOM 0 HA THR A 70 -6.864 10.263 -0.788 1.00 0.00 H new ATOM 0 HB THR A 70 -4.610 10.373 1.237 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.467 9.920 2.350 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.028 12.799 1.293 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.476 12.263 -0.312 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.196 12.625 -0.039 1.00 0.00 H new ATOM 366 N MET A 71 -3.752 9.343 -1.409 1.00 0.00 N ATOM 367 CA MET A 71 -2.753 9.305 -2.479 1.00 0.00 C ATOM 368 C MET A 71 -3.359 8.760 -3.763 1.00 0.00 C ATOM 369 O MET A 71 -2.928 9.116 -4.859 1.00 0.00 O ATOM 370 CB MET A 71 -1.535 8.467 -2.080 1.00 0.00 C ATOM 371 CG MET A 71 -0.519 9.221 -1.239 1.00 0.00 C ATOM 372 SD MET A 71 0.214 10.612 -2.127 1.00 0.00 S ATOM 373 CE MET A 71 1.443 11.160 -0.945 1.00 0.00 C ATOM 0 H MET A 71 -3.516 8.780 -0.592 1.00 0.00 H new ATOM 0 HA MET A 71 -2.421 10.329 -2.650 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.874 7.592 -1.525 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.046 8.102 -2.983 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.001 9.586 -0.332 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.270 8.537 -0.927 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.097 11.895 -1.414 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.946 11.612 -0.086 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.035 10.307 -0.614 1.00 0.00 H new ATOM 383 N MET A 72 -4.344 7.882 -3.628 1.00 0.00 N ATOM 384 CA MET A 72 -5.098 7.434 -4.788 1.00 0.00 C ATOM 385 C MET A 72 -5.856 8.615 -5.378 1.00 0.00 C ATOM 386 O MET A 72 -5.506 9.114 -6.447 1.00 0.00 O ATOM 387 CB MET A 72 -6.078 6.308 -4.428 1.00 0.00 C ATOM 388 CG MET A 72 -6.846 5.770 -5.628 1.00 0.00 C ATOM 389 SD MET A 72 -8.181 4.640 -5.174 1.00 0.00 S ATOM 390 CE MET A 72 -7.258 3.306 -4.410 1.00 0.00 C ATOM 0 H MET A 72 -4.635 7.472 -2.741 1.00 0.00 H new ATOM 0 HA MET A 72 -4.396 7.036 -5.521 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.527 5.491 -3.963 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.787 6.677 -3.687 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.263 6.607 -6.189 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.153 5.254 -6.293 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.916 2.451 -4.255 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.432 3.016 -5.060 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.864 3.639 -3.450 1.00 0.00 H new ATOM 400 N ALA A 73 -6.859 9.097 -4.643 1.00 0.00 N ATOM 401 CA ALA A 73 -7.682 10.232 -5.075 1.00 0.00 C ATOM 402 C ALA A 73 -6.864 11.481 -5.384 1.00 0.00 C ATOM 403 O ALA A 73 -7.372 12.410 -6.019 1.00 0.00 O ATOM 404 CB ALA A 73 -8.726 10.544 -4.015 1.00 0.00 C ATOM 0 H ALA A 73 -7.125 8.715 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.166 9.936 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.334 11.388 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.364 9.673 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.229 10.795 -3.078 1.00 0.00 H new ATOM 410 N ARG A 74 -5.622 11.502 -4.907 1.00 0.00 N ATOM 411 CA ARG A 74 -4.698 12.596 -5.166 1.00 0.00 C ATOM 412 C ARG A 74 -4.745 13.022 -6.635 1.00 0.00 C ATOM 413 O ARG A 74 -4.872 14.207 -6.944 1.00 0.00 O ATOM 414 CB ARG A 74 -3.270 12.192 -4.778 1.00 0.00 C ATOM 415 CG ARG A 74 -2.212 13.232 -5.120 1.00 0.00 C ATOM 416 CD ARG A 74 -2.525 14.587 -4.502 1.00 0.00 C ATOM 417 NE ARG A 74 -1.531 15.592 -4.879 1.00 0.00 N ATOM 418 CZ ARG A 74 -1.641 16.383 -5.945 1.00 0.00 C ATOM 419 NH1 ARG A 74 -2.717 16.312 -6.725 1.00 0.00 N ATOM 420 NH2 ARG A 74 -0.679 17.250 -6.223 1.00 0.00 N ATOM 0 H ARG A 74 -5.230 10.758 -4.329 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.004 13.446 -4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.238 11.997 -3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.020 11.257 -5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.239 12.889 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.141 13.335 -6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.514 14.914 -4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.556 14.494 -3.416 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.704 15.693 -4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.462 15.650 -6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.797 16.920 -7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.143 17.310 -5.622 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.760 17.857 -7.038 1.00 0.00 H new ATOM 434 N LYS A 75 -4.614 12.053 -7.535 1.00 0.00 N ATOM 435 CA LYS A 75 -4.781 12.311 -8.962 1.00 0.00 C ATOM 436 C LYS A 75 -5.739 11.308 -9.597 1.00 0.00 C ATOM 437 O LYS A 75 -6.696 11.690 -10.269 1.00 0.00 O ATOM 438 CB LYS A 75 -3.433 12.276 -9.686 1.00 0.00 C ATOM 439 CG LYS A 75 -2.518 13.433 -9.320 1.00 0.00 C ATOM 440 CD LYS A 75 -1.214 13.383 -10.098 1.00 0.00 C ATOM 441 CE LYS A 75 -0.375 12.175 -9.711 1.00 0.00 C ATOM 442 NZ LYS A 75 0.897 12.117 -10.476 1.00 0.00 N ATOM 0 H LYS A 75 -4.393 11.084 -7.303 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.208 13.308 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.929 11.338 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.607 12.287 -10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.026 14.376 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.306 13.406 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.428 13.350 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.646 14.295 -9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.156 12.212 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.947 11.264 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.440 11.280 -10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.688 12.056 -11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.455 12.974 -10.288 1.00 0.00 H new ATOM 456 N MET A 76 -5.494 10.026 -9.364 1.00 0.00 N ATOM 457 CA MET A 76 -6.286 8.986 -10.006 1.00 0.00 C ATOM 458 C MET A 76 -7.187 8.304 -8.979 1.00 0.00 C ATOM 459 O MET A 76 -6.701 7.546 -8.146 1.00 0.00 O ATOM 460 CB MET A 76 -5.372 7.944 -10.658 1.00 0.00 C ATOM 461 CG MET A 76 -6.114 6.718 -11.163 1.00 0.00 C ATOM 462 SD MET A 76 -5.006 5.393 -11.678 1.00 0.00 S ATOM 463 CE MET A 76 -6.184 4.068 -11.931 1.00 0.00 C ATOM 0 H MET A 76 -4.762 9.683 -8.742 1.00 0.00 H new ATOM 0 HA MET A 76 -6.903 9.449 -10.777 1.00 0.00 H new ATOM 0 HB2 MET A 76 -4.843 8.407 -11.491 1.00 0.00 H new ATOM 0 HB3 MET A 76 -4.618 7.631 -9.936 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.773 6.349 -10.377 1.00 0.00 H new ATOM 0 HG3 MET A 76 -6.747 7.003 -12.003 1.00 0.00 H new ATOM 0 HE1 MET A 76 -5.667 3.192 -12.322 1.00 0.00 H new ATOM 0 HE2 MET A 76 -6.658 3.817 -10.982 1.00 0.00 H new ATOM 0 HE3 MET A 76 -6.945 4.388 -12.643 1.00 0.00 H new ATOM 473 N LYS A 77 -8.487 8.517 -9.052 1.00 0.00 N ATOM 474 CA LYS A 77 -9.382 7.825 -8.140 1.00 0.00 C ATOM 475 C LYS A 77 -10.163 6.775 -8.904 1.00 0.00 C ATOM 476 O LYS A 77 -10.954 7.093 -9.789 1.00 0.00 O ATOM 477 CB LYS A 77 -10.322 8.801 -7.430 1.00 0.00 C ATOM 478 CG LYS A 77 -11.102 8.171 -6.281 1.00 0.00 C ATOM 479 CD LYS A 77 -10.174 7.523 -5.260 1.00 0.00 C ATOM 480 CE LYS A 77 -10.926 7.043 -4.024 1.00 0.00 C ATOM 481 NZ LYS A 77 -11.939 5.999 -4.340 1.00 0.00 N ATOM 0 H LYS A 77 -8.940 9.147 -9.715 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.787 7.338 -7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.740 9.639 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.026 9.208 -8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.707 8.933 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.790 7.423 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.661 6.680 -5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.407 8.238 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.213 6.646 -3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.420 7.892 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.276 5.564 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.741 6.433 -4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.509 5.270 -4.944 1.00 0.00 H new ATOM 495 N ASP A 78 -9.935 5.524 -8.558 1.00 0.00 N ATOM 496 CA ASP A 78 -10.523 4.419 -9.297 1.00 0.00 C ATOM 497 C ASP A 78 -11.328 3.514 -8.383 1.00 0.00 C ATOM 498 O ASP A 78 -12.538 3.372 -8.542 1.00 0.00 O ATOM 499 CB ASP A 78 -9.420 3.612 -9.991 1.00 0.00 C ATOM 500 CG ASP A 78 -9.933 2.345 -10.649 1.00 0.00 C ATOM 501 OD1 ASP A 78 -10.321 2.395 -11.835 1.00 0.00 O ATOM 502 OD2 ASP A 78 -9.931 1.285 -9.990 1.00 0.00 O ATOM 0 H ASP A 78 -9.348 5.245 -7.772 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.199 4.832 -10.046 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.940 4.237 -10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.655 3.350 -9.260 1.00 0.00 H new ATOM 507 N THR A 79 -10.654 2.923 -7.413 1.00 0.00 N ATOM 508 CA THR A 79 -11.265 1.905 -6.584 1.00 0.00 C ATOM 509 C THR A 79 -11.815 2.478 -5.283 1.00 0.00 C ATOM 510 O THR A 79 -11.071 2.712 -4.330 1.00 0.00 O ATOM 511 CB THR A 79 -10.249 0.801 -6.251 1.00 0.00 C ATOM 512 OG1 THR A 79 -9.389 0.584 -7.378 1.00 0.00 O ATOM 513 CG2 THR A 79 -10.952 -0.501 -5.897 1.00 0.00 C ATOM 0 H THR A 79 -9.683 3.132 -7.181 1.00 0.00 H new ATOM 0 HA THR A 79 -12.095 1.491 -7.156 1.00 0.00 H new ATOM 0 HB THR A 79 -9.664 1.124 -5.390 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.874 0.791 -8.204 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.209 -1.264 -5.666 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.593 -0.344 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.558 -0.829 -6.742 1.00 0.00 H new ATOM 521 N ASP A 80 -13.111 2.745 -5.257 1.00 0.00 N ATOM 522 CA ASP A 80 -13.802 2.975 -4.000 1.00 0.00 C ATOM 523 C ASP A 80 -14.452 1.665 -3.580 1.00 0.00 C ATOM 524 O ASP A 80 -15.504 1.275 -4.083 1.00 0.00 O ATOM 525 CB ASP A 80 -14.820 4.126 -4.092 1.00 0.00 C ATOM 526 CG ASP A 80 -15.850 3.946 -5.186 1.00 0.00 C ATOM 527 OD1 ASP A 80 -15.487 4.066 -6.375 1.00 0.00 O ATOM 528 OD2 ASP A 80 -17.035 3.726 -4.858 1.00 0.00 O ATOM 0 H ASP A 80 -13.702 2.807 -6.086 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.086 3.292 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.333 4.222 -3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.284 5.060 -4.261 1.00 0.00 H new ATOM 533 N SER A 81 -13.805 0.998 -2.642 1.00 0.00 N ATOM 534 CA SER A 81 -14.078 -0.399 -2.341 1.00 0.00 C ATOM 535 C SER A 81 -13.468 -0.699 -0.985 1.00 0.00 C ATOM 536 O SER A 81 -12.438 -1.354 -0.892 1.00 0.00 O ATOM 537 CB SER A 81 -13.481 -1.327 -3.402 1.00 0.00 C ATOM 538 OG SER A 81 -14.088 -1.143 -4.669 1.00 0.00 O ATOM 0 H SER A 81 -13.072 1.410 -2.064 1.00 0.00 H new ATOM 0 HA SER A 81 -15.154 -0.571 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.410 -1.143 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.604 -2.364 -3.088 1.00 0.00 H new ATOM 0 HG SER A 81 -14.093 -1.993 -5.156 1.00 0.00 H new ATOM 544 N GLU A 82 -14.110 -0.183 0.052 1.00 0.00 N ATOM 545 CA GLU A 82 -13.585 -0.223 1.411 1.00 0.00 C ATOM 546 C GLU A 82 -13.121 -1.628 1.808 1.00 0.00 C ATOM 547 O GLU A 82 -11.987 -1.801 2.249 1.00 0.00 O ATOM 548 CB GLU A 82 -14.651 0.294 2.373 1.00 0.00 C ATOM 549 CG GLU A 82 -14.087 1.097 3.532 1.00 0.00 C ATOM 550 CD GLU A 82 -13.760 0.250 4.737 1.00 0.00 C ATOM 551 OE1 GLU A 82 -12.661 -0.331 4.789 1.00 0.00 O ATOM 552 OE2 GLU A 82 -14.598 0.180 5.658 1.00 0.00 O ATOM 0 H GLU A 82 -15.016 0.279 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.705 0.418 1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -15.356 0.915 1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.213 -0.552 2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -13.185 1.614 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.807 1.864 3.819 1.00 0.00 H new ATOM 559 N GLU A 83 -13.984 -2.628 1.655 1.00 0.00 N ATOM 560 CA GLU A 83 -13.600 -4.011 1.938 1.00 0.00 C ATOM 561 C GLU A 83 -12.383 -4.447 1.111 1.00 0.00 C ATOM 562 O GLU A 83 -11.478 -5.105 1.627 1.00 0.00 O ATOM 563 CB GLU A 83 -14.775 -4.958 1.683 1.00 0.00 C ATOM 564 CG GLU A 83 -15.306 -4.916 0.259 1.00 0.00 C ATOM 565 CD GLU A 83 -16.414 -5.918 0.021 1.00 0.00 C ATOM 566 OE1 GLU A 83 -16.106 -7.096 -0.260 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.598 -5.535 0.120 1.00 0.00 O ATOM 0 H GLU A 83 -14.947 -2.511 1.339 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.322 -4.061 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.464 -5.977 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.585 -4.709 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.675 -3.914 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.489 -5.112 -0.435 1.00 0.00 H new ATOM 574 N GLU A 84 -12.372 -4.090 -0.171 1.00 0.00 N ATOM 575 CA GLU A 84 -11.253 -4.423 -1.044 1.00 0.00 C ATOM 576 C GLU A 84 -9.974 -3.730 -0.596 1.00 0.00 C ATOM 577 O GLU A 84 -8.899 -4.315 -0.657 1.00 0.00 O ATOM 578 CB GLU A 84 -11.552 -4.063 -2.498 1.00 0.00 C ATOM 579 CG GLU A 84 -12.569 -4.976 -3.161 1.00 0.00 C ATOM 580 CD GLU A 84 -12.617 -4.784 -4.663 1.00 0.00 C ATOM 581 OE1 GLU A 84 -11.691 -5.262 -5.355 1.00 0.00 O ATOM 582 OE2 GLU A 84 -13.566 -4.141 -5.157 1.00 0.00 O ATOM 0 H GLU A 84 -13.124 -3.572 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.109 -5.501 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.917 -3.037 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.624 -4.095 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.323 -6.014 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.556 -4.784 -2.740 1.00 0.00 H new ATOM 589 N ILE A 85 -10.084 -2.485 -0.147 1.00 0.00 N ATOM 590 CA ILE A 85 -8.927 -1.743 0.325 1.00 0.00 C ATOM 591 C ILE A 85 -8.305 -2.437 1.536 1.00 0.00 C ATOM 592 O ILE A 85 -7.084 -2.542 1.635 1.00 0.00 O ATOM 593 CB ILE A 85 -9.283 -0.276 0.675 1.00 0.00 C ATOM 594 CG1 ILE A 85 -9.965 0.411 -0.514 1.00 0.00 C ATOM 595 CG2 ILE A 85 -8.037 0.505 1.079 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.124 0.443 -1.775 1.00 0.00 C ATOM 0 H ILE A 85 -10.964 -1.971 -0.101 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.201 -1.722 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.973 -0.291 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.902 -0.103 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.219 1.433 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.313 1.532 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.582 0.037 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.324 0.505 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.677 0.945 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.197 0.983 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.892 -0.576 -2.084 1.00 0.00 H new ATOM 608 N ARG A 86 -9.146 -2.955 2.434 1.00 0.00 N ATOM 609 CA ARG A 86 -8.658 -3.710 3.589 1.00 0.00 C ATOM 610 C ARG A 86 -7.910 -4.944 3.110 1.00 0.00 C ATOM 611 O ARG A 86 -6.795 -5.245 3.556 1.00 0.00 O ATOM 612 CB ARG A 86 -9.822 -4.161 4.478 1.00 0.00 C ATOM 613 CG ARG A 86 -10.683 -3.030 5.014 1.00 0.00 C ATOM 614 CD ARG A 86 -11.758 -3.555 5.954 1.00 0.00 C ATOM 615 NE ARG A 86 -12.734 -2.524 6.301 1.00 0.00 N ATOM 616 CZ ARG A 86 -13.596 -2.611 7.316 1.00 0.00 C ATOM 617 NH1 ARG A 86 -13.563 -3.643 8.146 1.00 0.00 N ATOM 618 NH2 ARG A 86 -14.487 -1.652 7.508 1.00 0.00 N ATOM 0 H ARG A 86 -10.161 -2.866 2.384 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.998 -3.062 4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.454 -4.843 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.421 -4.726 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.056 -2.310 5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.149 -2.500 4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.270 -4.396 5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.291 -3.933 6.864 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.758 -1.680 5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.873 -4.383 8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.227 -3.698 8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.514 -0.848 6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.147 -1.717 8.283 1.00 0.00 H new ATOM 632 N GLU A 87 -8.540 -5.641 2.179 1.00 0.00 N ATOM 633 CA GLU A 87 -7.980 -6.849 1.608 1.00 0.00 C ATOM 634 C GLU A 87 -6.666 -6.537 0.911 1.00 0.00 C ATOM 635 O GLU A 87 -5.718 -7.312 0.984 1.00 0.00 O ATOM 636 CB GLU A 87 -8.968 -7.459 0.616 1.00 0.00 C ATOM 637 CG GLU A 87 -8.572 -8.837 0.128 1.00 0.00 C ATOM 638 CD GLU A 87 -9.529 -9.373 -0.910 1.00 0.00 C ATOM 639 OE1 GLU A 87 -10.654 -9.770 -0.532 1.00 0.00 O ATOM 640 OE2 GLU A 87 -9.165 -9.389 -2.106 1.00 0.00 O ATOM 0 H GLU A 87 -9.452 -5.384 1.800 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.791 -7.565 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.950 -7.518 1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.065 -6.794 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.568 -8.796 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.535 -9.523 0.974 1.00 0.00 H new ATOM 647 N ALA A 88 -6.607 -5.380 0.264 1.00 0.00 N ATOM 648 CA ALA A 88 -5.415 -4.958 -0.440 1.00 0.00 C ATOM 649 C ALA A 88 -4.256 -4.798 0.528 1.00 0.00 C ATOM 650 O ALA A 88 -3.165 -5.289 0.282 1.00 0.00 O ATOM 651 CB ALA A 88 -5.674 -3.658 -1.182 1.00 0.00 C ATOM 0 H ALA A 88 -7.380 -4.716 0.216 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.151 -5.725 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.769 -3.352 -1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.479 -3.804 -1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.960 -2.884 -0.470 1.00 0.00 H new ATOM 657 N PHE A 89 -4.505 -4.128 1.641 1.00 0.00 N ATOM 658 CA PHE A 89 -3.480 -3.940 2.660 1.00 0.00 C ATOM 659 C PHE A 89 -2.892 -5.269 3.117 1.00 0.00 C ATOM 660 O PHE A 89 -1.681 -5.390 3.289 1.00 0.00 O ATOM 661 CB PHE A 89 -4.039 -3.174 3.860 1.00 0.00 C ATOM 662 CG PHE A 89 -4.006 -1.683 3.678 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.977 -1.039 2.934 1.00 0.00 C ATOM 664 CD2 PHE A 89 -2.999 -0.930 4.252 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.939 0.328 2.755 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.955 0.437 4.079 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.929 1.066 3.332 1.00 0.00 C ATOM 0 H PHE A 89 -5.406 -3.705 1.864 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.680 -3.353 2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.067 -3.489 4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.467 -3.438 4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.775 -1.613 2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.238 -1.418 4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.699 0.818 2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.160 1.014 4.527 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.900 2.137 3.199 1.00 0.00 H new ATOM 677 N ARG A 90 -3.743 -6.267 3.315 1.00 0.00 N ATOM 678 CA ARG A 90 -3.276 -7.577 3.755 1.00 0.00 C ATOM 679 C ARG A 90 -2.661 -8.394 2.609 1.00 0.00 C ATOM 680 O ARG A 90 -1.722 -9.160 2.828 1.00 0.00 O ATOM 681 CB ARG A 90 -4.422 -8.340 4.420 1.00 0.00 C ATOM 682 CG ARG A 90 -4.927 -7.648 5.677 1.00 0.00 C ATOM 683 CD ARG A 90 -6.109 -8.367 6.309 1.00 0.00 C ATOM 684 NE ARG A 90 -6.568 -7.673 7.516 1.00 0.00 N ATOM 685 CZ ARG A 90 -7.800 -7.767 8.015 1.00 0.00 C ATOM 686 NH1 ARG A 90 -8.700 -8.551 7.444 1.00 0.00 N ATOM 687 NH2 ARG A 90 -8.134 -7.085 9.104 1.00 0.00 N ATOM 0 H ARG A 90 -4.752 -6.197 3.180 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.481 -7.419 4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.244 -8.446 3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.087 -9.346 4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.116 -7.584 6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.217 -6.626 5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.926 -8.431 5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.825 -9.389 6.560 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.900 -7.079 8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.453 -9.090 6.614 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.640 -8.616 7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.447 -6.486 9.562 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.078 -7.160 9.483 1.00 0.00 H new ATOM 701 N VAL A 91 -3.183 -8.227 1.397 1.00 0.00 N ATOM 702 CA VAL A 91 -2.695 -8.972 0.229 1.00 0.00 C ATOM 703 C VAL A 91 -1.399 -8.379 -0.324 1.00 0.00 C ATOM 704 O VAL A 91 -0.432 -9.103 -0.576 1.00 0.00 O ATOM 705 CB VAL A 91 -3.755 -9.017 -0.898 1.00 0.00 C ATOM 706 CG1 VAL A 91 -3.137 -9.442 -2.228 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.888 -9.960 -0.518 1.00 0.00 C ATOM 0 H VAL A 91 -3.946 -7.582 1.193 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.497 -9.987 0.574 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.155 -8.011 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.909 -9.463 -2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.361 -8.731 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.700 -10.435 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.627 -9.983 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.490 -10.963 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.359 -9.611 0.401 1.00 0.00 H new ATOM 717 N PHE A 92 -1.395 -7.067 -0.514 1.00 0.00 N ATOM 718 CA PHE A 92 -0.248 -6.364 -1.075 1.00 0.00 C ATOM 719 C PHE A 92 0.976 -6.545 -0.190 1.00 0.00 C ATOM 720 O PHE A 92 2.095 -6.702 -0.675 1.00 0.00 O ATOM 721 CB PHE A 92 -0.566 -4.870 -1.253 1.00 0.00 C ATOM 722 CG PHE A 92 -1.427 -4.565 -2.457 1.00 0.00 C ATOM 723 CD1 PHE A 92 -2.687 -5.124 -2.599 1.00 0.00 C ATOM 724 CD2 PHE A 92 -0.961 -3.724 -3.454 1.00 0.00 C ATOM 725 CE1 PHE A 92 -3.465 -4.847 -3.708 1.00 0.00 C ATOM 726 CE2 PHE A 92 -1.733 -3.446 -4.566 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.985 -4.010 -4.694 1.00 0.00 C ATOM 0 H PHE A 92 -2.183 -6.461 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.030 -6.790 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.070 -4.507 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.370 -4.317 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.066 -5.785 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.019 -3.280 -3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.447 -5.285 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.356 -2.787 -5.334 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.588 -3.797 -5.564 1.00 0.00 H new ATOM 737 N ASP A 93 0.746 -6.522 1.107 1.00 0.00 N ATOM 738 CA ASP A 93 1.797 -6.745 2.084 1.00 0.00 C ATOM 739 C ASP A 93 2.404 -8.151 1.936 1.00 0.00 C ATOM 740 O ASP A 93 1.701 -9.119 1.647 1.00 0.00 O ATOM 741 CB ASP A 93 1.204 -6.571 3.481 1.00 0.00 C ATOM 742 CG ASP A 93 2.255 -6.390 4.549 1.00 0.00 C ATOM 743 OD1 ASP A 93 3.294 -7.047 4.505 1.00 0.00 O ATOM 744 OD2 ASP A 93 2.067 -5.590 5.469 1.00 0.00 O ATOM 0 H ASP A 93 -0.173 -6.349 1.515 1.00 0.00 H new ATOM 0 HA ASP A 93 2.598 -6.024 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.540 -5.707 3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.595 -7.442 3.722 1.00 0.00 H new ATOM 749 N LYS A 94 3.716 -8.240 2.157 1.00 0.00 N ATOM 750 CA LYS A 94 4.425 -9.520 2.132 1.00 0.00 C ATOM 751 C LYS A 94 4.101 -10.300 3.398 1.00 0.00 C ATOM 752 O LYS A 94 3.854 -11.504 3.377 1.00 0.00 O ATOM 753 CB LYS A 94 5.943 -9.324 2.126 1.00 0.00 C ATOM 754 CG LYS A 94 6.498 -8.400 1.066 1.00 0.00 C ATOM 755 CD LYS A 94 7.989 -8.209 1.298 1.00 0.00 C ATOM 756 CE LYS A 94 8.615 -7.250 0.309 1.00 0.00 C ATOM 757 NZ LYS A 94 10.054 -7.027 0.606 1.00 0.00 N ATOM 0 H LYS A 94 4.312 -7.436 2.356 1.00 0.00 H new ATOM 0 HA LYS A 94 4.110 -10.044 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.242 -8.942 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.413 -10.300 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.323 -8.818 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.986 -7.438 1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.151 -7.838 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.490 -9.175 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.507 -7.645 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.084 -6.298 0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.369 -6.144 0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.189 -6.958 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.612 -7.823 0.236 1.00 0.00 H new ATOM 771 N ASP A 95 4.132 -9.569 4.500 1.00 0.00 N ATOM 772 CA ASP A 95 4.033 -10.126 5.842 1.00 0.00 C ATOM 773 C ASP A 95 2.621 -9.966 6.393 1.00 0.00 C ATOM 774 O ASP A 95 2.300 -10.460 7.473 1.00 0.00 O ATOM 775 CB ASP A 95 5.027 -9.402 6.754 1.00 0.00 C ATOM 776 CG ASP A 95 4.857 -7.900 6.665 1.00 0.00 C ATOM 777 OD1 ASP A 95 3.864 -7.356 7.165 1.00 0.00 O ATOM 778 OD2 ASP A 95 5.758 -7.214 6.176 1.00 0.00 O ATOM 0 H ASP A 95 4.228 -8.554 4.488 1.00 0.00 H new ATOM 0 HA ASP A 95 4.265 -11.190 5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.882 -9.727 7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.045 -9.673 6.474 1.00 0.00 H new ATOM 783 N GLY A 96 1.785 -9.282 5.621 1.00 0.00 N ATOM 784 CA GLY A 96 0.414 -9.022 6.014 1.00 0.00 C ATOM 785 C GLY A 96 0.255 -8.251 7.316 1.00 0.00 C ATOM 786 O GLY A 96 -0.707 -8.494 8.044 1.00 0.00 O ATOM 0 H GLY A 96 2.040 -8.896 4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.078 -8.465 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.109 -9.974 6.107 1.00 0.00 H new ATOM 790 N ASN A 97 1.160 -7.313 7.630 1.00 0.00 N ATOM 791 CA ASN A 97 1.023 -6.511 8.851 1.00 0.00 C ATOM 792 C ASN A 97 -0.073 -5.449 8.730 1.00 0.00 C ATOM 793 O ASN A 97 -0.223 -4.604 9.615 1.00 0.00 O ATOM 794 CB ASN A 97 2.363 -5.846 9.252 1.00 0.00 C ATOM 795 CG ASN A 97 2.811 -4.702 8.339 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.591 -4.895 7.396 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.342 -3.500 8.620 1.00 0.00 N ATOM 0 H ASN A 97 1.981 -7.094 7.065 1.00 0.00 H new ATOM 0 HA ASN A 97 0.730 -7.206 9.638 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.273 -5.466 10.270 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.142 -6.609 9.264 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.621 -2.699 8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.701 -3.373 9.403 1.00 0.00 H new ATOM 804 N GLY A 98 -0.835 -5.486 7.645 1.00 0.00 N ATOM 805 CA GLY A 98 -1.999 -4.626 7.543 1.00 0.00 C ATOM 806 C GLY A 98 -1.685 -3.250 6.995 1.00 0.00 C ATOM 807 O GLY A 98 -2.438 -2.306 7.227 1.00 0.00 O ATOM 0 H GLY A 98 -0.671 -6.090 6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.739 -5.104 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.452 -4.521 8.529 1.00 0.00 H new ATOM 811 N TYR A 99 -0.591 -3.142 6.251 1.00 0.00 N ATOM 812 CA TYR A 99 -0.125 -1.855 5.740 1.00 0.00 C ATOM 813 C TYR A 99 0.620 -2.061 4.429 1.00 0.00 C ATOM 814 O TYR A 99 1.213 -3.113 4.206 1.00 0.00 O ATOM 815 CB TYR A 99 0.774 -1.132 6.755 1.00 0.00 C ATOM 816 CG TYR A 99 0.041 -0.647 7.987 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.965 0.301 7.884 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.361 -1.129 9.251 1.00 0.00 C ATOM 819 CE1 TYR A 99 -1.627 0.763 9.000 1.00 0.00 C ATOM 820 CE2 TYR A 99 -0.300 -0.673 10.374 1.00 0.00 C ATOM 821 CZ TYR A 99 -1.316 0.212 10.254 1.00 0.00 C ATOM 822 OH TYR A 99 -1.949 0.738 11.361 1.00 0.00 O ATOM 0 H TYR A 99 -0.006 -3.934 5.986 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.998 -1.225 5.568 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.574 -1.806 7.062 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.245 -0.280 6.266 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.235 0.684 6.911 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.138 -1.871 9.356 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.374 1.538 8.912 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.005 -1.024 11.352 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.646 0.267 12.165 1.00 0.00 H new ATOM 832 N ILE A 100 0.587 -1.062 3.564 1.00 0.00 N ATOM 833 CA ILE A 100 1.169 -1.193 2.237 1.00 0.00 C ATOM 834 C ILE A 100 2.412 -0.317 2.096 1.00 0.00 C ATOM 835 O ILE A 100 2.321 0.891 1.925 1.00 0.00 O ATOM 836 CB ILE A 100 0.139 -0.814 1.147 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.109 -1.695 1.269 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.745 -0.949 -0.243 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.228 -1.315 0.320 1.00 0.00 C ATOM 0 H ILE A 100 0.165 -0.153 3.755 1.00 0.00 H new ATOM 0 HA ILE A 100 1.458 -2.236 2.105 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.147 0.227 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.828 -2.732 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.480 -1.641 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.001 -0.677 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.607 -0.287 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.061 -1.980 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.075 -1.985 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.539 -0.289 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.876 -1.397 -0.708 1.00 0.00 H new ATOM 851 N SER A 101 3.578 -0.931 2.173 1.00 0.00 N ATOM 852 CA SER A 101 4.827 -0.212 1.971 1.00 0.00 C ATOM 853 C SER A 101 5.326 -0.424 0.544 1.00 0.00 C ATOM 854 O SER A 101 4.831 -1.303 -0.159 1.00 0.00 O ATOM 855 CB SER A 101 5.888 -0.677 2.973 1.00 0.00 C ATOM 856 OG SER A 101 5.418 -0.570 4.303 1.00 0.00 O ATOM 0 H SER A 101 3.689 -1.925 2.374 1.00 0.00 H new ATOM 0 HA SER A 101 4.644 0.850 2.132 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.161 -1.711 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.791 -0.078 2.854 1.00 0.00 H new ATOM 0 HG SER A 101 6.114 -0.875 4.922 1.00 0.00 H new ATOM 862 N ALA A 102 6.285 0.382 0.115 1.00 0.00 N ATOM 863 CA ALA A 102 6.862 0.228 -1.221 1.00 0.00 C ATOM 864 C ALA A 102 7.408 -1.187 -1.422 1.00 0.00 C ATOM 865 O ALA A 102 7.135 -1.827 -2.435 1.00 0.00 O ATOM 866 CB ALA A 102 7.943 1.265 -1.465 1.00 0.00 C ATOM 0 H ALA A 102 6.681 1.145 0.664 1.00 0.00 H new ATOM 0 HA ALA A 102 6.069 0.388 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.357 1.131 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.515 2.264 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.735 1.146 -0.725 1.00 0.00 H new ATOM 872 N ALA A 103 8.194 -1.662 -0.459 1.00 0.00 N ATOM 873 CA ALA A 103 8.663 -3.049 -0.459 1.00 0.00 C ATOM 874 C ALA A 103 7.509 -4.040 -0.626 1.00 0.00 C ATOM 875 O ALA A 103 7.590 -4.971 -1.433 1.00 0.00 O ATOM 876 CB ALA A 103 9.425 -3.341 0.822 1.00 0.00 C ATOM 0 H ALA A 103 8.521 -1.108 0.333 1.00 0.00 H new ATOM 0 HA ALA A 103 9.329 -3.174 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.770 -4.375 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.283 -2.673 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.770 -3.185 1.679 1.00 0.00 H new ATOM 882 N GLU A 104 6.438 -3.833 0.129 1.00 0.00 N ATOM 883 CA GLU A 104 5.258 -4.688 0.028 1.00 0.00 C ATOM 884 C GLU A 104 4.710 -4.614 -1.390 1.00 0.00 C ATOM 885 O GLU A 104 4.360 -5.630 -1.993 1.00 0.00 O ATOM 886 CB GLU A 104 4.170 -4.226 0.991 1.00 0.00 C ATOM 887 CG GLU A 104 4.684 -3.816 2.375 1.00 0.00 C ATOM 888 CD GLU A 104 5.133 -4.977 3.252 1.00 0.00 C ATOM 889 OE1 GLU A 104 5.779 -5.906 2.736 1.00 0.00 O ATOM 890 OE2 GLU A 104 4.826 -4.965 4.477 1.00 0.00 O ATOM 0 H GLU A 104 6.360 -3.084 0.817 1.00 0.00 H new ATOM 0 HA GLU A 104 5.547 -5.708 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.643 -3.381 0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.442 -5.028 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.520 -3.128 2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.897 -3.269 2.894 1.00 0.00 H new ATOM 897 N LEU A 105 4.694 -3.395 -1.922 1.00 0.00 N ATOM 898 CA LEU A 105 4.200 -3.143 -3.258 1.00 0.00 C ATOM 899 C LEU A 105 4.993 -3.940 -4.273 1.00 0.00 C ATOM 900 O LEU A 105 4.412 -4.615 -5.096 1.00 0.00 O ATOM 901 CB LEU A 105 4.271 -1.655 -3.597 1.00 0.00 C ATOM 902 CG LEU A 105 3.053 -0.842 -3.164 1.00 0.00 C ATOM 903 CD1 LEU A 105 3.273 0.639 -3.440 1.00 0.00 C ATOM 904 CD2 LEU A 105 1.809 -1.343 -3.888 1.00 0.00 C ATOM 0 H LEU A 105 5.024 -2.561 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 105 3.157 -3.456 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.159 -1.231 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.398 -1.548 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 105 2.909 -0.969 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.395 1.202 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.145 0.987 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.437 0.790 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.945 -0.758 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.947 -1.237 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.644 -2.393 -3.645 1.00 0.00 H new ATOM 916 N ARG A 106 6.320 -3.900 -4.181 1.00 0.00 N ATOM 917 CA ARG A 106 7.150 -4.588 -5.162 1.00 0.00 C ATOM 918 C ARG A 106 6.765 -6.069 -5.212 1.00 0.00 C ATOM 919 O ARG A 106 6.510 -6.601 -6.283 1.00 0.00 O ATOM 920 CB ARG A 106 8.652 -4.407 -4.884 1.00 0.00 C ATOM 921 CG ARG A 106 9.208 -5.360 -3.854 1.00 0.00 C ATOM 922 CD ARG A 106 10.702 -5.182 -3.631 1.00 0.00 C ATOM 923 NE ARG A 106 11.245 -6.241 -2.778 1.00 0.00 N ATOM 924 CZ ARG A 106 12.407 -6.171 -2.131 1.00 0.00 C ATOM 925 NH1 ARG A 106 13.168 -5.089 -2.226 1.00 0.00 N ATOM 926 NH2 ARG A 106 12.804 -7.194 -1.387 1.00 0.00 N ATOM 0 H ARG A 106 6.835 -3.408 -3.451 1.00 0.00 H new ATOM 0 HA ARG A 106 6.965 -4.139 -6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.201 -4.536 -5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.828 -3.385 -4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.684 -5.213 -2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.012 -6.384 -4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.218 -5.186 -4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.890 -4.211 -3.172 1.00 0.00 H new ATOM 0 HE ARG A 106 10.694 -7.093 -2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.865 -4.301 -2.798 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.056 -5.045 -1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.221 -8.027 -1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.693 -7.148 -0.889 1.00 0.00 H new ATOM 940 N HIS A 107 6.680 -6.694 -4.036 1.00 0.00 N ATOM 941 CA HIS A 107 6.262 -8.094 -3.907 1.00 0.00 C ATOM 942 C HIS A 107 4.966 -8.390 -4.656 1.00 0.00 C ATOM 943 O HIS A 107 4.904 -9.295 -5.484 1.00 0.00 O ATOM 944 CB HIS A 107 6.085 -8.443 -2.421 1.00 0.00 C ATOM 945 CG HIS A 107 5.233 -9.658 -2.159 1.00 0.00 C ATOM 946 ND1 HIS A 107 5.463 -10.890 -2.732 1.00 0.00 N ATOM 947 CD2 HIS A 107 4.128 -9.805 -1.391 1.00 0.00 C ATOM 948 CE1 HIS A 107 4.537 -11.740 -2.325 1.00 0.00 C ATOM 949 NE2 HIS A 107 3.715 -11.105 -1.511 1.00 0.00 N ATOM 0 H HIS A 107 6.898 -6.246 -3.146 1.00 0.00 H new ATOM 0 HA HIS A 107 7.044 -8.708 -4.354 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.069 -8.603 -1.979 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.642 -7.588 -1.911 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.658 -9.038 -0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.465 -12.779 -2.610 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.905 -11.515 -1.047 1.00 0.00 H new ATOM 958 N VAL A 108 3.948 -7.618 -4.358 1.00 0.00 N ATOM 959 CA VAL A 108 2.609 -7.928 -4.827 1.00 0.00 C ATOM 960 C VAL A 108 2.380 -7.387 -6.239 1.00 0.00 C ATOM 961 O VAL A 108 1.646 -7.971 -7.041 1.00 0.00 O ATOM 962 CB VAL A 108 1.556 -7.368 -3.859 1.00 0.00 C ATOM 963 CG1 VAL A 108 1.591 -5.850 -3.844 1.00 0.00 C ATOM 964 CG2 VAL A 108 0.168 -7.884 -4.206 1.00 0.00 C ATOM 0 H VAL A 108 4.016 -6.771 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 108 2.508 -9.013 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 108 1.797 -7.718 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.837 -5.475 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.577 -5.512 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.384 -5.471 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.559 -7.473 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.091 -7.578 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.158 -8.972 -4.142 1.00 0.00 H new ATOM 974 N MET A 109 3.004 -6.258 -6.515 1.00 0.00 N ATOM 975 CA MET A 109 2.792 -5.533 -7.751 1.00 0.00 C ATOM 976 C MET A 109 3.514 -6.189 -8.930 1.00 0.00 C ATOM 977 O MET A 109 2.867 -6.793 -9.787 1.00 0.00 O ATOM 978 CB MET A 109 3.242 -4.079 -7.563 1.00 0.00 C ATOM 979 CG MET A 109 2.789 -3.136 -8.663 1.00 0.00 C ATOM 980 SD MET A 109 3.373 -1.445 -8.409 1.00 0.00 S ATOM 981 CE MET A 109 5.145 -1.704 -8.304 1.00 0.00 C ATOM 0 H MET A 109 3.674 -5.817 -5.885 1.00 0.00 H new ATOM 0 HA MET A 109 1.729 -5.555 -7.991 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.862 -3.714 -6.609 1.00 0.00 H new ATOM 0 HB3 MET A 109 4.330 -4.053 -7.504 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.152 -3.502 -9.623 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.700 -3.137 -8.713 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.645 -0.746 -8.165 1.00 0.00 H new ATOM 0 HE2 MET A 109 5.368 -2.356 -7.459 1.00 0.00 H new ATOM 0 HE3 MET A 109 5.500 -2.168 -9.224 1.00 0.00 H new ATOM 991 N THR A 110 4.840 -6.076 -8.998 1.00 0.00 N ATOM 992 CA THR A 110 5.571 -6.635 -10.132 1.00 0.00 C ATOM 993 C THR A 110 6.800 -7.466 -9.719 1.00 0.00 C ATOM 994 O THR A 110 7.081 -8.501 -10.323 1.00 0.00 O ATOM 995 CB THR A 110 5.984 -5.514 -11.122 1.00 0.00 C ATOM 996 OG1 THR A 110 6.702 -6.055 -12.239 1.00 0.00 O ATOM 997 CG2 THR A 110 6.830 -4.451 -10.439 1.00 0.00 C ATOM 0 H THR A 110 5.419 -5.613 -8.297 1.00 0.00 H new ATOM 0 HA THR A 110 4.885 -7.323 -10.627 1.00 0.00 H new ATOM 0 HB THR A 110 5.066 -5.049 -11.480 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.951 -5.330 -12.850 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.101 -3.682 -11.162 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.261 -4.000 -9.626 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.735 -4.908 -10.039 1.00 0.00 H new ATOM 1005 N ASN A 111 7.514 -7.031 -8.683 1.00 0.00 N ATOM 1006 CA ASN A 111 8.810 -7.622 -8.341 1.00 0.00 C ATOM 1007 C ASN A 111 8.716 -8.685 -7.267 1.00 0.00 C ATOM 1008 O ASN A 111 7.629 -9.097 -6.854 1.00 0.00 O ATOM 1009 CB ASN A 111 9.808 -6.548 -7.897 1.00 0.00 C ATOM 1010 CG ASN A 111 10.346 -5.723 -9.049 1.00 0.00 C ATOM 1011 OD1 ASN A 111 9.811 -4.665 -9.379 1.00 0.00 O ATOM 1012 ND2 ASN A 111 11.410 -6.201 -9.672 1.00 0.00 N ATOM 0 H ASN A 111 7.220 -6.274 -8.066 1.00 0.00 H new ATOM 0 HA ASN A 111 9.162 -8.102 -9.254 1.00 0.00 H new ATOM 0 HB2 ASN A 111 9.324 -5.886 -7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.640 -7.026 -7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.815 -5.689 -10.455 1.00 0.00 H new ATOM 0 HD22 ASN A 111 11.825 -7.082 -9.369 1.00 0.00 H new ATOM 1019 N LEU A 112 9.883 -9.146 -6.847 1.00 0.00 N ATOM 1020 CA LEU A 112 9.988 -10.154 -5.819 1.00 0.00 C ATOM 1021 C LEU A 112 9.565 -9.595 -4.472 1.00 0.00 C ATOM 1022 O LEU A 112 9.614 -8.387 -4.232 1.00 0.00 O ATOM 1023 CB LEU A 112 11.421 -10.712 -5.755 1.00 0.00 C ATOM 1024 CG LEU A 112 12.557 -9.675 -5.701 1.00 0.00 C ATOM 1025 CD1 LEU A 112 12.641 -9.015 -4.337 1.00 0.00 C ATOM 1026 CD2 LEU A 112 13.885 -10.319 -6.045 1.00 0.00 C ATOM 0 H LEU A 112 10.781 -8.828 -7.213 1.00 0.00 H new ATOM 0 HA LEU A 112 9.314 -10.973 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 112 11.500 -11.351 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.580 -11.347 -6.626 1.00 0.00 H new ATOM 0 HG LEU A 112 12.333 -8.905 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.454 -8.288 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.701 -8.509 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.829 -9.773 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 112 14.675 -9.569 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 112 14.099 -11.114 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.837 -10.737 -7.050 1.00 0.00 H new ATOM 1038 N GLY A 113 9.120 -10.480 -3.616 1.00 0.00 N ATOM 1039 CA GLY A 113 8.826 -10.108 -2.254 1.00 0.00 C ATOM 1040 C GLY A 113 10.095 -9.927 -1.451 1.00 0.00 C ATOM 1041 O GLY A 113 10.629 -8.800 -1.414 1.00 0.00 O ATOM 0 H GLY A 113 8.953 -11.462 -3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.250 -9.182 -2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 113 8.205 -10.875 -1.791 1.00 0.00 H new TER 1045 GLY A 113 HETATM 1046 CA CA A 200 2.816 6.638 5.696 1.00 0.00 CA HETATM 1047 CA CA A 300 4.071 -5.969 5.810 1.00 0.00 CA