USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 824 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 61 LYS NZ :NH3+ -148:sc= -1.47 (180deg=-1.51) USER MOD Set 1.2: A 91 GLN : amide:sc= -3.02! C(o=-5!,f=-6.6!) USER MOD Set 1.3: A 119 ASN : amide:sc= -0.506 K(o=-5,f=-6.1) USER MOD Set 2.1: A 16 SER OG : rot -19:sc= 1.26 USER MOD Set 2.2: A 20 ASN :FLIP amide:sc= 1.04 F(o=-2.4,f=2.3) USER MOD Single : A 13 THR OG1 : rot -140:sc= -1.21 USER MOD Single : A 19 LYS NZ :NH3+ 161:sc=-0.00396 (180deg=-0.178) USER MOD Single : A 24 SER OG : rot -89:sc= -0.288 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0.119 USER MOD Single : A 39 HIS : no HE2:sc= -0.0809 K(o=-0.081,f=-0.71) USER MOD Single : A 40 CYS SG : rot 138:sc= -1.63! USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0158) USER MOD Single : A 42 ASN : amide:sc= -4.53! C(o=-4.5!,f=-5.9!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0606) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.32 F(o=-3.3,f=-1.3) USER MOD Single : A 58 THR OG1 : rot -86:sc= 1.37 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.0359 (180deg=-0.266) USER MOD Single : A 70 THR OG1 : rot -115:sc= -2.41! USER MOD Single : A 72 ASN : amide:sc= -4.04 K(o=-4,f=-9.5!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -96:sc= 0.684 USER MOD Single : A 86 THR OG1 : rot -59:sc= 0.782 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 147:sc= 0.325 (180deg=0.0283) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -33:sc= 0.117 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -7.078 5.308 4.434 1.00 0.00 N ATOM 67 CA ASP A 8 -6.890 5.939 3.132 1.00 0.00 C ATOM 68 C ASP A 8 -6.153 5.006 2.177 1.00 0.00 C ATOM 69 O ASP A 8 -5.469 5.455 1.258 1.00 0.00 O ATOM 70 CB ASP A 8 -6.116 7.249 3.284 1.00 0.00 C ATOM 71 CG ASP A 8 -5.957 7.983 1.967 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.987 8.285 1.327 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.803 8.257 1.576 1.00 0.00 O ATOM 0 HA ASP A 8 -7.874 6.153 2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.633 7.893 3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.131 7.040 3.701 1.00 0.00 H new ATOM 78 N VAL A 9 -6.296 3.703 2.402 1.00 0.00 N ATOM 79 CA VAL A 9 -5.644 2.706 1.562 1.00 0.00 C ATOM 80 C VAL A 9 -6.285 2.648 0.180 1.00 0.00 C ATOM 81 O VAL A 9 -7.505 2.538 0.055 1.00 0.00 O ATOM 82 CB VAL A 9 -5.703 1.307 2.203 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.004 0.285 1.320 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.088 1.332 3.594 1.00 0.00 C ATOM 0 H VAL A 9 -6.858 3.314 3.159 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.601 3.008 1.463 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.749 1.014 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.056 -0.697 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.494 0.249 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.960 0.570 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.138 0.335 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.047 1.646 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.638 2.033 4.222 1.00 0.00 H new ATOM 94 N ILE A 10 -5.454 2.722 -0.855 1.00 0.00 N ATOM 95 CA ILE A 10 -5.940 2.676 -2.228 1.00 0.00 C ATOM 96 C ILE A 10 -5.855 1.262 -2.794 1.00 0.00 C ATOM 97 O ILE A 10 -4.851 0.573 -2.618 1.00 0.00 O ATOM 98 CB ILE A 10 -5.145 3.630 -3.139 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.145 5.044 -2.555 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.730 3.632 -4.543 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.018 5.911 -3.072 1.00 0.00 C ATOM 0 H ILE A 10 -4.442 2.814 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.982 2.994 -2.205 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.114 3.280 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.096 5.523 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.075 4.980 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.157 4.311 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.684 2.625 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.768 3.962 -4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.080 6.899 -2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.062 5.454 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.099 6.006 -4.155 1.00 0.00 H new ATOM 113 N GLU A 11 -6.914 0.839 -3.477 1.00 0.00 N ATOM 114 CA GLU A 11 -6.957 -0.492 -4.070 1.00 0.00 C ATOM 115 C GLU A 11 -6.630 -0.435 -5.560 1.00 0.00 C ATOM 116 O GLU A 11 -7.225 0.342 -6.308 1.00 0.00 O ATOM 117 CB GLU A 11 -8.336 -1.122 -3.864 1.00 0.00 C ATOM 118 CG GLU A 11 -8.402 -2.587 -4.262 1.00 0.00 C ATOM 119 CD GLU A 11 -9.635 -3.284 -3.720 1.00 0.00 C ATOM 120 OE1 GLU A 11 -10.032 -2.983 -2.576 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.202 -4.131 -4.442 1.00 0.00 O ATOM 0 H GLU A 11 -7.753 1.398 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.206 -1.107 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.617 -1.026 -2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.071 -0.563 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.394 -2.665 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.511 -3.099 -3.899 1.00 0.00 H new ATOM 128 N LEU A 12 -5.681 -1.262 -5.983 1.00 0.00 N ATOM 129 CA LEU A 12 -5.273 -1.307 -7.383 1.00 0.00 C ATOM 130 C LEU A 12 -5.469 -2.704 -7.963 1.00 0.00 C ATOM 131 O LEU A 12 -5.624 -3.678 -7.227 1.00 0.00 O ATOM 132 CB LEU A 12 -3.809 -0.885 -7.522 1.00 0.00 C ATOM 133 CG LEU A 12 -3.439 0.467 -6.912 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.937 0.693 -6.985 1.00 0.00 C ATOM 135 CD2 LEU A 12 -4.185 1.592 -7.616 1.00 0.00 C ATOM 0 H LEU A 12 -5.179 -1.911 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.900 -0.611 -7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.186 -1.651 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.557 -0.864 -8.582 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.734 0.463 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.693 1.660 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.423 -0.095 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.617 0.676 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.909 2.547 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.922 1.597 -8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.259 1.438 -7.510 1.00 0.00 H new ATOM 147 N THR A 13 -5.460 -2.795 -9.290 1.00 0.00 N ATOM 148 CA THR A 13 -5.636 -4.072 -9.969 1.00 0.00 C ATOM 149 C THR A 13 -4.506 -4.328 -10.960 1.00 0.00 C ATOM 150 O THR A 13 -3.612 -3.497 -11.125 1.00 0.00 O ATOM 151 CB THR A 13 -6.981 -4.131 -10.716 1.00 0.00 C ATOM 152 OG1 THR A 13 -7.138 -2.967 -11.536 1.00 0.00 O ATOM 153 CG2 THR A 13 -8.141 -4.226 -9.736 1.00 0.00 C ATOM 0 H THR A 13 -5.333 -1.999 -9.915 1.00 0.00 H new ATOM 0 HA THR A 13 -5.623 -4.843 -9.199 1.00 0.00 H new ATOM 0 HB THR A 13 -6.983 -5.021 -11.345 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.067 -2.658 -11.491 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.081 -4.266 -10.287 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.035 -5.128 -9.133 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.140 -3.352 -9.085 1.00 0.00 H new ATOM 161 N ASP A 14 -4.552 -5.481 -11.618 1.00 0.00 N ATOM 162 CA ASP A 14 -3.532 -5.845 -12.595 1.00 0.00 C ATOM 163 C ASP A 14 -3.462 -4.814 -13.717 1.00 0.00 C ATOM 164 O ASP A 14 -2.444 -4.692 -14.399 1.00 0.00 O ATOM 165 CB ASP A 14 -3.822 -7.230 -13.175 1.00 0.00 C ATOM 166 CG ASP A 14 -3.882 -8.304 -12.107 1.00 0.00 C ATOM 167 OD1 ASP A 14 -2.844 -8.557 -11.460 1.00 0.00 O ATOM 168 OD2 ASP A 14 -4.967 -8.892 -11.917 1.00 0.00 O ATOM 0 H ASP A 14 -5.284 -6.180 -11.493 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.568 -5.868 -12.086 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.769 -7.204 -13.714 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.050 -7.486 -13.900 1.00 0.00 H new ATOM 173 N ASP A 15 -4.551 -4.076 -13.904 1.00 0.00 N ATOM 174 CA ASP A 15 -4.614 -3.056 -14.944 1.00 0.00 C ATOM 175 C ASP A 15 -4.664 -1.659 -14.333 1.00 0.00 C ATOM 176 O ASP A 15 -4.294 -0.676 -14.975 1.00 0.00 O ATOM 177 CB ASP A 15 -5.836 -3.281 -15.836 1.00 0.00 C ATOM 178 CG ASP A 15 -5.680 -4.489 -16.738 1.00 0.00 C ATOM 179 OD1 ASP A 15 -5.304 -5.566 -16.228 1.00 0.00 O ATOM 180 OD2 ASP A 15 -5.937 -4.359 -17.953 1.00 0.00 O ATOM 0 H ASP A 15 -5.402 -4.165 -13.349 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.712 -3.135 -15.551 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.720 -3.410 -15.211 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.004 -2.394 -16.447 1.00 0.00 H new ATOM 185 N SER A 16 -5.126 -1.580 -13.089 1.00 0.00 N ATOM 186 CA SER A 16 -5.230 -0.303 -12.392 1.00 0.00 C ATOM 187 C SER A 16 -4.055 -0.107 -11.439 1.00 0.00 C ATOM 188 O SER A 16 -4.105 0.729 -10.537 1.00 0.00 O ATOM 189 CB SER A 16 -6.547 -0.226 -11.619 1.00 0.00 C ATOM 190 OG SER A 16 -6.985 1.116 -11.490 1.00 0.00 O ATOM 0 H SER A 16 -5.434 -2.385 -12.543 1.00 0.00 H new ATOM 0 HA SER A 16 -5.207 0.492 -13.137 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.309 -0.813 -12.133 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.418 -0.667 -10.630 1.00 0.00 H new ATOM 0 HG SER A 16 -6.231 1.722 -11.643 1.00 0.00 H new ATOM 196 N PHE A 17 -2.998 -0.886 -11.645 1.00 0.00 N ATOM 197 CA PHE A 17 -1.810 -0.800 -10.804 1.00 0.00 C ATOM 198 C PHE A 17 -0.714 0.009 -11.491 1.00 0.00 C ATOM 199 O PHE A 17 0.092 0.668 -10.833 1.00 0.00 O ATOM 200 CB PHE A 17 -1.292 -2.201 -10.471 1.00 0.00 C ATOM 201 CG PHE A 17 0.142 -2.220 -10.025 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.160 -1.900 -10.908 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.472 -2.558 -8.722 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.480 -1.918 -10.501 1.00 0.00 C ATOM 205 CE2 PHE A 17 1.790 -2.577 -8.308 1.00 0.00 C ATOM 206 CZ PHE A 17 2.796 -2.255 -9.199 1.00 0.00 C ATOM 0 H PHE A 17 -2.940 -1.584 -12.387 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.086 -0.293 -9.880 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.914 -2.633 -9.687 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.399 -2.838 -11.349 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.919 -1.633 -11.926 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.311 -2.810 -8.022 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.264 -1.669 -11.200 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.034 -2.843 -7.290 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.827 -2.267 -8.878 1.00 0.00 H new ATOM 216 N ASP A 18 -0.690 -0.047 -12.818 1.00 0.00 N ATOM 217 CA ASP A 18 0.306 0.680 -13.596 1.00 0.00 C ATOM 218 C ASP A 18 -0.214 2.058 -13.994 1.00 0.00 C ATOM 219 O ASP A 18 0.438 3.074 -13.752 1.00 0.00 O ATOM 220 CB ASP A 18 0.688 -0.115 -14.846 1.00 0.00 C ATOM 221 CG ASP A 18 0.614 -1.612 -14.625 1.00 0.00 C ATOM 222 OD1 ASP A 18 -0.511 -2.155 -14.613 1.00 0.00 O ATOM 223 OD2 ASP A 18 1.680 -2.242 -14.464 1.00 0.00 O ATOM 0 H ASP A 18 -1.349 -0.588 -13.377 1.00 0.00 H new ATOM 0 HA ASP A 18 1.191 0.812 -12.974 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.025 0.161 -15.666 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.699 0.155 -15.150 1.00 0.00 H new ATOM 228 N LYS A 19 -1.393 2.085 -14.606 1.00 0.00 N ATOM 229 CA LYS A 19 -2.003 3.337 -15.038 1.00 0.00 C ATOM 230 C LYS A 19 -2.292 4.242 -13.844 1.00 0.00 C ATOM 231 O LYS A 19 -2.652 5.407 -14.010 1.00 0.00 O ATOM 232 CB LYS A 19 -3.298 3.059 -15.806 1.00 0.00 C ATOM 233 CG LYS A 19 -4.529 2.993 -14.919 1.00 0.00 C ATOM 234 CD LYS A 19 -5.786 2.723 -15.728 1.00 0.00 C ATOM 235 CE LYS A 19 -7.016 3.323 -15.065 1.00 0.00 C ATOM 236 NZ LYS A 19 -7.025 4.809 -15.152 1.00 0.00 N ATOM 0 H LYS A 19 -1.946 1.253 -14.814 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.299 3.847 -15.696 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.441 3.838 -16.554 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.197 2.116 -16.343 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.400 2.208 -14.174 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.639 3.932 -14.377 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.672 3.139 -16.729 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.922 1.648 -15.843 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.914 2.926 -15.539 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.048 3.021 -14.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.991 5.160 -14.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.389 5.203 -14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.702 5.103 -16.096 1.00 0.00 H new ATOM 250 N ASN A 20 -2.130 3.698 -12.643 1.00 0.00 N ATOM 251 CA ASN A 20 -2.372 4.457 -11.421 1.00 0.00 C ATOM 252 C ASN A 20 -1.058 4.837 -10.747 1.00 0.00 C ATOM 253 O ASN A 20 -0.983 5.827 -10.020 1.00 0.00 O ATOM 254 CB ASN A 20 -3.239 3.646 -10.455 1.00 0.00 C ATOM 255 CG ASN A 20 -4.718 3.761 -10.770 1.00 0.00 C ATOM 256 OD1 ASN A 20 -5.170 3.008 -11.766 1.00 0.00 O flip ATOM 257 ND2 ASN A 20 -5.444 4.516 -10.124 1.00 0.00 N flip ATOM 0 H ASN A 20 -1.832 2.735 -12.489 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.899 5.372 -11.690 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.942 2.598 -10.497 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.060 3.988 -9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.052 5.076 -9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.437 4.582 -10.346 1.00 0.00 H new ATOM 264 N VAL A 21 -0.021 4.041 -10.993 1.00 0.00 N ATOM 265 CA VAL A 21 1.292 4.294 -10.411 1.00 0.00 C ATOM 266 C VAL A 21 2.229 4.937 -11.428 1.00 0.00 C ATOM 267 O VAL A 21 2.761 6.023 -11.198 1.00 0.00 O ATOM 268 CB VAL A 21 1.933 2.996 -9.887 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.426 3.188 -9.669 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.251 2.545 -8.604 1.00 0.00 C ATOM 0 H VAL A 21 -0.065 3.216 -11.591 1.00 0.00 H new ATOM 0 HA VAL A 21 1.142 4.979 -9.576 1.00 0.00 H new ATOM 0 HB VAL A 21 1.797 2.216 -10.636 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.862 2.260 -9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.899 3.460 -10.612 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.588 3.982 -8.940 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.717 1.626 -8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.353 3.321 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.194 2.364 -8.798 1.00 0.00 H new ATOM 280 N LEU A 22 2.426 4.259 -12.553 1.00 0.00 N ATOM 281 CA LEU A 22 3.299 4.763 -13.607 1.00 0.00 C ATOM 282 C LEU A 22 2.746 6.055 -14.201 1.00 0.00 C ATOM 283 O LEU A 22 3.501 6.913 -14.659 1.00 0.00 O ATOM 284 CB LEU A 22 3.463 3.713 -14.707 1.00 0.00 C ATOM 285 CG LEU A 22 3.599 2.264 -14.237 1.00 0.00 C ATOM 286 CD1 LEU A 22 3.959 1.356 -15.402 1.00 0.00 C ATOM 287 CD2 LEU A 22 4.642 2.158 -13.133 1.00 0.00 C ATOM 0 H LEU A 22 1.993 3.359 -12.759 1.00 0.00 H new ATOM 0 HA LEU A 22 4.273 4.974 -13.167 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.604 3.778 -15.375 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.344 3.967 -15.296 1.00 0.00 H new ATOM 0 HG LEU A 22 2.639 1.941 -13.835 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.051 0.329 -15.048 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.178 1.410 -16.160 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.907 1.677 -15.834 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.726 1.120 -12.810 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.606 2.500 -13.509 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.342 2.778 -12.288 1.00 0.00 H new ATOM 299 N ASP A 23 1.424 6.187 -14.187 1.00 0.00 N ATOM 300 CA ASP A 23 0.769 7.376 -14.721 1.00 0.00 C ATOM 301 C ASP A 23 0.887 8.545 -13.748 1.00 0.00 C ATOM 302 O ASP A 23 0.291 9.601 -13.956 1.00 0.00 O ATOM 303 CB ASP A 23 -0.704 7.086 -15.013 1.00 0.00 C ATOM 304 CG ASP A 23 -1.247 7.931 -16.148 1.00 0.00 C ATOM 305 OD1 ASP A 23 -0.461 8.286 -17.052 1.00 0.00 O ATOM 306 OD2 ASP A 23 -2.457 8.236 -16.134 1.00 0.00 O ATOM 0 H ASP A 23 0.785 5.486 -13.812 1.00 0.00 H new ATOM 0 HA ASP A 23 1.268 7.649 -15.651 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.821 6.031 -15.261 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.292 7.269 -14.114 1.00 0.00 H new ATOM 311 N SER A 24 1.659 8.347 -12.684 1.00 0.00 N ATOM 312 CA SER A 24 1.851 9.382 -11.675 1.00 0.00 C ATOM 313 C SER A 24 3.324 9.507 -11.298 1.00 0.00 C ATOM 314 O SER A 24 4.024 8.506 -11.151 1.00 0.00 O ATOM 315 CB SER A 24 1.018 9.071 -10.430 1.00 0.00 C ATOM 316 OG SER A 24 0.971 10.186 -9.556 1.00 0.00 O ATOM 0 H SER A 24 2.162 7.479 -12.499 1.00 0.00 H new ATOM 0 HA SER A 24 1.520 10.331 -12.096 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.006 8.794 -10.726 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.444 8.214 -9.908 1.00 0.00 H new ATOM 0 HG SER A 24 1.730 10.149 -8.937 1.00 0.00 H new ATOM 322 N GLU A 25 3.786 10.744 -11.142 1.00 0.00 N ATOM 323 CA GLU A 25 5.176 11.000 -10.783 1.00 0.00 C ATOM 324 C GLU A 25 5.351 11.016 -9.267 1.00 0.00 C ATOM 325 O GLU A 25 6.270 11.648 -8.745 1.00 0.00 O ATOM 326 CB GLU A 25 5.642 12.331 -11.376 1.00 0.00 C ATOM 327 CG GLU A 25 5.692 12.336 -12.895 1.00 0.00 C ATOM 328 CD GLU A 25 4.370 12.737 -13.521 1.00 0.00 C ATOM 329 OE1 GLU A 25 4.060 13.947 -13.525 1.00 0.00 O ATOM 330 OE2 GLU A 25 3.647 11.842 -14.005 1.00 0.00 O ATOM 0 H GLU A 25 3.219 11.584 -11.258 1.00 0.00 H new ATOM 0 HA GLU A 25 5.786 10.195 -11.194 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.973 13.123 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.633 12.565 -10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.470 13.023 -13.227 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.971 11.344 -13.249 1.00 0.00 H new ATOM 337 N ASP A 26 4.464 10.318 -8.567 1.00 0.00 N ATOM 338 CA ASP A 26 4.521 10.252 -7.111 1.00 0.00 C ATOM 339 C ASP A 26 4.835 8.834 -6.644 1.00 0.00 C ATOM 340 O ASP A 26 4.617 7.866 -7.372 1.00 0.00 O ATOM 341 CB ASP A 26 3.196 10.719 -6.506 1.00 0.00 C ATOM 342 CG ASP A 26 2.677 11.986 -7.158 1.00 0.00 C ATOM 343 OD1 ASP A 26 3.333 13.039 -7.013 1.00 0.00 O ATOM 344 OD2 ASP A 26 1.616 11.924 -7.813 1.00 0.00 O ATOM 0 H ASP A 26 3.697 9.790 -8.984 1.00 0.00 H new ATOM 0 HA ASP A 26 5.319 10.913 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.453 9.929 -6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.328 10.891 -5.438 1.00 0.00 H new ATOM 349 N VAL A 27 5.351 8.719 -5.424 1.00 0.00 N ATOM 350 CA VAL A 27 5.696 7.420 -4.859 1.00 0.00 C ATOM 351 C VAL A 27 4.445 6.627 -4.501 1.00 0.00 C ATOM 352 O VAL A 27 3.552 7.130 -3.819 1.00 0.00 O ATOM 353 CB VAL A 27 6.573 7.570 -3.602 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.828 6.213 -2.963 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.884 8.261 -3.946 1.00 0.00 C ATOM 0 H VAL A 27 5.539 9.510 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 27 6.258 6.882 -5.622 1.00 0.00 H new ATOM 0 HB VAL A 27 6.040 8.190 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.449 6.339 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.878 5.760 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.340 5.566 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.491 8.359 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.424 7.670 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.678 9.251 -4.353 1.00 0.00 H new ATOM 365 N TRP A 28 4.387 5.384 -4.965 1.00 0.00 N ATOM 366 CA TRP A 28 3.244 4.519 -4.693 1.00 0.00 C ATOM 367 C TRP A 28 3.672 3.278 -3.919 1.00 0.00 C ATOM 368 O TRP A 28 4.371 2.415 -4.451 1.00 0.00 O ATOM 369 CB TRP A 28 2.564 4.111 -6.001 1.00 0.00 C ATOM 370 CG TRP A 28 1.600 5.137 -6.515 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.897 6.231 -7.277 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.185 5.166 -6.303 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.751 6.938 -7.551 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.313 6.305 -6.966 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.711 4.339 -5.620 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.666 6.636 -6.962 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.053 4.669 -5.617 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.520 5.809 -6.285 1.00 0.00 C ATOM 0 H TRP A 28 5.117 4.952 -5.531 1.00 0.00 H new ATOM 0 HA TRP A 28 2.535 5.078 -4.082 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.327 3.929 -6.758 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.035 3.170 -5.849 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.887 6.501 -7.614 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.701 7.795 -8.101 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.361 3.457 -5.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.028 7.515 -7.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.754 4.038 -5.091 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.575 6.039 -6.265 1.00 0.00 H new ATOM 389 N MET A 29 3.250 3.194 -2.662 1.00 0.00 N ATOM 390 CA MET A 29 3.590 2.055 -1.817 1.00 0.00 C ATOM 391 C MET A 29 2.602 0.911 -2.022 1.00 0.00 C ATOM 392 O MET A 29 1.428 1.019 -1.668 1.00 0.00 O ATOM 393 CB MET A 29 3.605 2.473 -0.345 1.00 0.00 C ATOM 394 CG MET A 29 4.977 2.897 0.152 1.00 0.00 C ATOM 395 SD MET A 29 5.967 1.505 0.731 1.00 0.00 S ATOM 396 CE MET A 29 6.450 2.086 2.355 1.00 0.00 C ATOM 0 H MET A 29 2.672 3.900 -2.206 1.00 0.00 H new ATOM 0 HA MET A 29 4.584 1.708 -2.100 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.905 3.297 -0.203 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.248 1.642 0.264 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.509 3.407 -0.652 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.859 3.616 0.963 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.069 1.332 2.842 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.016 3.012 2.257 1.00 0.00 H new ATOM 0 HE3 MET A 29 5.559 2.267 2.956 1.00 0.00 H new ATOM 406 N VAL A 30 3.085 -0.185 -2.598 1.00 0.00 N ATOM 407 CA VAL A 30 2.245 -1.350 -2.851 1.00 0.00 C ATOM 408 C VAL A 30 2.476 -2.432 -1.802 1.00 0.00 C ATOM 409 O VAL A 30 3.536 -3.055 -1.762 1.00 0.00 O ATOM 410 CB VAL A 30 2.510 -1.941 -4.248 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.612 -3.142 -4.499 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.308 -0.881 -5.321 1.00 0.00 C ATOM 0 H VAL A 30 4.054 -0.291 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 30 1.210 -1.011 -2.798 1.00 0.00 H new ATOM 0 HB VAL A 30 3.546 -2.277 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.814 -3.546 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.810 -3.907 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.568 -2.835 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.499 -1.315 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.283 -0.513 -5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.997 -0.054 -5.150 1.00 0.00 H new ATOM 422 N GLU A 31 1.476 -2.650 -0.954 1.00 0.00 N ATOM 423 CA GLU A 31 1.571 -3.657 0.096 1.00 0.00 C ATOM 424 C GLU A 31 0.662 -4.845 -0.206 1.00 0.00 C ATOM 425 O GLU A 31 -0.557 -4.764 -0.051 1.00 0.00 O ATOM 426 CB GLU A 31 1.201 -3.050 1.451 1.00 0.00 C ATOM 427 CG GLU A 31 0.865 -4.085 2.511 1.00 0.00 C ATOM 428 CD GLU A 31 2.061 -4.933 2.898 1.00 0.00 C ATOM 429 OE1 GLU A 31 2.477 -5.782 2.081 1.00 0.00 O ATOM 430 OE2 GLU A 31 2.582 -4.748 4.018 1.00 0.00 O ATOM 0 H GLU A 31 0.591 -2.143 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 31 2.602 -4.010 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.031 -2.437 1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.347 -2.385 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.480 -3.580 3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.069 -4.732 2.142 1.00 0.00 H new ATOM 437 N PHE A 32 1.264 -5.948 -0.638 1.00 0.00 N ATOM 438 CA PHE A 32 0.510 -7.153 -0.963 1.00 0.00 C ATOM 439 C PHE A 32 0.042 -7.861 0.305 1.00 0.00 C ATOM 440 O PHE A 32 0.846 -8.191 1.177 1.00 0.00 O ATOM 441 CB PHE A 32 1.364 -8.103 -1.806 1.00 0.00 C ATOM 442 CG PHE A 32 1.884 -7.479 -3.070 1.00 0.00 C ATOM 443 CD1 PHE A 32 3.001 -6.659 -3.044 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.257 -7.713 -4.283 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.481 -6.084 -4.205 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.733 -7.141 -5.447 1.00 0.00 C ATOM 447 CZ PHE A 32 2.848 -6.326 -5.409 1.00 0.00 C ATOM 0 H PHE A 32 2.272 -6.032 -0.771 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.368 -6.858 -1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.207 -8.449 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.772 -8.982 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.502 -6.467 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.386 -8.350 -4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.351 -5.445 -4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.234 -7.331 -6.386 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.224 -5.879 -6.318 1.00 0.00 H new ATOM 457 N TYR A 33 -1.263 -8.091 0.400 1.00 0.00 N ATOM 458 CA TYR A 33 -1.839 -8.757 1.562 1.00 0.00 C ATOM 459 C TYR A 33 -2.859 -9.809 1.137 1.00 0.00 C ATOM 460 O TYR A 33 -3.340 -9.801 0.004 1.00 0.00 O ATOM 461 CB TYR A 33 -2.500 -7.733 2.487 1.00 0.00 C ATOM 462 CG TYR A 33 -3.894 -7.338 2.053 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.956 -8.226 2.166 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.148 -6.076 1.530 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.231 -7.870 1.771 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.420 -5.710 1.134 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.458 -6.610 1.256 1.00 0.00 C ATOM 468 OH TYR A 33 -7.726 -6.250 0.861 1.00 0.00 O ATOM 0 H TYR A 33 -1.942 -7.826 -0.314 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.033 -9.256 2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.545 -8.143 3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.876 -6.841 2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.782 -9.212 2.570 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.337 -5.369 1.431 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.045 -8.573 1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.601 -4.724 0.731 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.715 -5.330 0.523 1.00 0.00 H new ATOM 478 N ALA A 34 -3.184 -10.713 2.055 1.00 0.00 N ATOM 479 CA ALA A 34 -4.148 -11.771 1.778 1.00 0.00 C ATOM 480 C ALA A 34 -5.300 -11.738 2.776 1.00 0.00 C ATOM 481 O ALA A 34 -5.110 -11.533 3.975 1.00 0.00 O ATOM 482 CB ALA A 34 -3.463 -13.129 1.804 1.00 0.00 C ATOM 0 H ALA A 34 -2.794 -10.734 2.997 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.559 -11.603 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.195 -13.910 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.679 -13.155 1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.024 -13.296 2.788 1.00 0.00 H new ATOM 488 N PRO A 35 -6.526 -11.944 2.272 1.00 0.00 N ATOM 489 CA PRO A 35 -7.734 -11.942 3.103 1.00 0.00 C ATOM 490 C PRO A 35 -7.803 -13.153 4.027 1.00 0.00 C ATOM 491 O PRO A 35 -8.596 -13.183 4.969 1.00 0.00 O ATOM 492 CB PRO A 35 -8.870 -11.986 2.078 1.00 0.00 C ATOM 493 CG PRO A 35 -8.269 -12.624 0.873 1.00 0.00 C ATOM 494 CD PRO A 35 -6.828 -12.195 0.853 1.00 0.00 C ATOM 0 HA PRO A 35 -7.772 -11.077 3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.717 -12.562 2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.239 -10.985 1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.352 -13.710 0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.783 -12.307 -0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.184 -12.969 0.436 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.684 -11.300 0.247 1.00 0.00 H new ATOM 502 N TRP A 36 -6.970 -14.150 3.752 1.00 0.00 N ATOM 503 CA TRP A 36 -6.937 -15.364 4.560 1.00 0.00 C ATOM 504 C TRP A 36 -5.641 -15.451 5.359 1.00 0.00 C ATOM 505 O TRP A 36 -5.362 -16.466 5.998 1.00 0.00 O ATOM 506 CB TRP A 36 -7.085 -16.598 3.669 1.00 0.00 C ATOM 507 CG TRP A 36 -6.377 -16.470 2.354 1.00 0.00 C ATOM 508 CD1 TRP A 36 -6.951 -16.405 1.117 1.00 0.00 C ATOM 509 CD2 TRP A 36 -4.962 -16.394 2.146 1.00 0.00 C ATOM 510 NE1 TRP A 36 -5.979 -16.293 0.152 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.751 -16.283 0.758 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.854 -16.407 2.998 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.476 -16.187 0.205 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.590 -16.312 2.447 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.409 -16.202 1.062 1.00 0.00 C ATOM 0 H TRP A 36 -6.308 -14.142 2.976 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.772 -15.328 5.260 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.698 -17.468 4.199 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.144 -16.781 3.487 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.013 -16.437 0.925 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.145 -16.228 -0.852 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.983 -16.490 4.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.334 -16.104 -0.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.726 -16.323 3.096 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.408 -16.128 0.663 1.00 0.00 H new ATOM 526 N CYS A 37 -4.853 -14.382 5.318 1.00 0.00 N ATOM 527 CA CYS A 37 -3.585 -14.339 6.039 1.00 0.00 C ATOM 528 C CYS A 37 -3.708 -13.496 7.304 1.00 0.00 C ATOM 529 O CYS A 37 -4.147 -12.348 7.257 1.00 0.00 O ATOM 530 CB CYS A 37 -2.483 -13.776 5.140 1.00 0.00 C ATOM 531 SG CYS A 37 -0.841 -13.781 5.896 1.00 0.00 S ATOM 0 H CYS A 37 -5.069 -13.534 4.794 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.323 -15.357 6.327 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.449 -14.357 4.218 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.741 -12.754 4.864 1.00 0.00 H new ATOM 0 HG CYS A 37 0.023 -13.289 5.059 1.00 0.00 H new ATOM 537 N GLY A 38 -3.317 -14.075 8.435 1.00 0.00 N ATOM 538 CA GLY A 38 -3.392 -13.363 9.697 1.00 0.00 C ATOM 539 C GLY A 38 -2.574 -12.087 9.693 1.00 0.00 C ATOM 540 O GLY A 38 -3.100 -11.002 9.946 1.00 0.00 O ATOM 0 H GLY A 38 -2.950 -15.024 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.433 -13.123 9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.041 -14.013 10.499 1.00 0.00 H new ATOM 544 N HIS A 39 -1.282 -12.215 9.407 1.00 0.00 N ATOM 545 CA HIS A 39 -0.389 -11.062 9.372 1.00 0.00 C ATOM 546 C HIS A 39 -1.086 -9.853 8.755 1.00 0.00 C ATOM 547 O HIS A 39 -0.942 -8.729 9.236 1.00 0.00 O ATOM 548 CB HIS A 39 0.876 -11.395 8.581 1.00 0.00 C ATOM 549 CG HIS A 39 1.534 -12.669 9.012 1.00 0.00 C ATOM 550 ND1 HIS A 39 1.719 -13.744 8.168 1.00 0.00 N ATOM 551 CD2 HIS A 39 2.055 -13.037 10.206 1.00 0.00 C ATOM 552 CE1 HIS A 39 2.322 -14.718 8.825 1.00 0.00 C ATOM 553 NE2 HIS A 39 2.538 -14.315 10.064 1.00 0.00 N ATOM 0 H HIS A 39 -0.830 -13.105 9.196 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.113 -10.815 10.397 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.625 -11.465 7.523 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.587 -10.575 8.686 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.434 -13.781 7.189 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.085 -12.437 11.104 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.593 -15.681 8.418 1.00 0.00 H new ATOM 562 N CYS A 40 -1.839 -10.092 7.687 1.00 0.00 N ATOM 563 CA CYS A 40 -2.557 -9.023 7.003 1.00 0.00 C ATOM 564 C CYS A 40 -3.663 -8.457 7.889 1.00 0.00 C ATOM 565 O CYS A 40 -3.740 -7.248 8.109 1.00 0.00 O ATOM 566 CB CYS A 40 -3.151 -9.537 5.691 1.00 0.00 C ATOM 567 SG CYS A 40 -4.560 -8.575 5.091 1.00 0.00 S ATOM 0 H CYS A 40 -1.968 -11.017 7.276 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.848 -8.225 6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.373 -9.536 4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.463 -10.572 5.827 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.453 -8.404 3.807 1.00 0.00 H new ATOM 573 N LYS A 41 -4.519 -9.339 8.394 1.00 0.00 N ATOM 574 CA LYS A 41 -5.621 -8.929 9.255 1.00 0.00 C ATOM 575 C LYS A 41 -5.146 -7.936 10.311 1.00 0.00 C ATOM 576 O LYS A 41 -5.801 -6.925 10.565 1.00 0.00 O ATOM 577 CB LYS A 41 -6.247 -10.150 9.933 1.00 0.00 C ATOM 578 CG LYS A 41 -6.722 -11.211 8.956 1.00 0.00 C ATOM 579 CD LYS A 41 -8.162 -10.975 8.532 1.00 0.00 C ATOM 580 CE LYS A 41 -9.141 -11.473 9.584 1.00 0.00 C ATOM 581 NZ LYS A 41 -9.282 -12.956 9.553 1.00 0.00 N ATOM 0 H LYS A 41 -4.470 -10.343 8.221 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.372 -8.441 8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.517 -10.593 10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.091 -9.825 10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.078 -11.211 8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.634 -12.195 9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.322 -9.911 8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.352 -11.483 7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.802 -11.161 10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.115 -11.012 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.042 -13.246 10.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.514 -13.262 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.388 -13.396 9.850 1.00 0.00 H new ATOM 595 N ASN A 42 -4.003 -8.230 10.922 1.00 0.00 N ATOM 596 CA ASN A 42 -3.441 -7.362 11.950 1.00 0.00 C ATOM 597 C ASN A 42 -2.789 -6.131 11.326 1.00 0.00 C ATOM 598 O ASN A 42 -2.739 -5.064 11.938 1.00 0.00 O ATOM 599 CB ASN A 42 -2.414 -8.127 12.787 1.00 0.00 C ATOM 600 CG ASN A 42 -1.012 -8.024 12.219 1.00 0.00 C ATOM 601 OD1 ASN A 42 -0.466 -6.929 12.079 1.00 0.00 O ATOM 602 ND2 ASN A 42 -0.422 -9.167 11.888 1.00 0.00 N ATOM 0 H ASN A 42 -3.448 -9.062 10.723 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.254 -7.032 12.596 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.419 -7.740 13.806 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.704 -9.176 12.843 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.521 -9.160 11.500 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.912 -10.051 12.021 1.00 0.00 H new ATOM 609 N LEU A 43 -2.292 -6.288 10.104 1.00 0.00 N ATOM 610 CA LEU A 43 -1.643 -5.190 9.396 1.00 0.00 C ATOM 611 C LEU A 43 -2.678 -4.251 8.783 1.00 0.00 C ATOM 612 O LEU A 43 -2.373 -3.104 8.459 1.00 0.00 O ATOM 613 CB LEU A 43 -0.722 -5.735 8.303 1.00 0.00 C ATOM 614 CG LEU A 43 -0.106 -4.697 7.365 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.024 -3.953 8.059 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.393 -5.361 6.090 1.00 0.00 C ATOM 0 H LEU A 43 -2.326 -7.164 9.583 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.049 -4.627 10.116 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.086 -6.289 8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.287 -6.448 7.702 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.877 -3.975 7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.450 -3.219 7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.637 -3.445 8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.797 -4.661 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.828 -4.607 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.149 -6.106 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.441 -5.846 5.582 1.00 0.00 H new ATOM 628 N GLU A 44 -3.901 -4.748 8.628 1.00 0.00 N ATOM 629 CA GLU A 44 -4.981 -3.952 8.055 1.00 0.00 C ATOM 630 C GLU A 44 -4.955 -2.527 8.600 1.00 0.00 C ATOM 631 O GLU A 44 -4.847 -1.552 7.856 1.00 0.00 O ATOM 632 CB GLU A 44 -6.335 -4.600 8.352 1.00 0.00 C ATOM 633 CG GLU A 44 -7.469 -3.599 8.499 1.00 0.00 C ATOM 634 CD GLU A 44 -8.831 -4.223 8.265 1.00 0.00 C ATOM 635 OE1 GLU A 44 -8.923 -5.156 7.440 1.00 0.00 O ATOM 636 OE2 GLU A 44 -9.805 -3.778 8.908 1.00 0.00 O ATOM 0 H GLU A 44 -4.169 -5.697 8.891 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.835 -3.912 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.578 -5.297 7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.256 -5.184 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.439 -3.166 9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.321 -2.782 7.793 1.00 0.00 H new ATOM 643 N PRO A 45 -5.058 -2.402 9.932 1.00 0.00 N ATOM 644 CA PRO A 45 -5.049 -1.101 10.608 1.00 0.00 C ATOM 645 C PRO A 45 -3.682 -0.428 10.552 1.00 0.00 C ATOM 646 O PRO A 45 -3.582 0.771 10.293 1.00 0.00 O ATOM 647 CB PRO A 45 -5.414 -1.450 12.053 1.00 0.00 C ATOM 648 CG PRO A 45 -4.988 -2.868 12.220 1.00 0.00 C ATOM 649 CD PRO A 45 -5.189 -3.521 10.880 1.00 0.00 C ATOM 0 HA PRO A 45 -5.733 -0.394 10.140 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.902 -0.797 12.759 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.483 -1.334 12.230 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.945 -2.928 12.531 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.579 -3.365 12.989 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.444 -4.294 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.167 -3.997 10.807 1.00 0.00 H new ATOM 657 N GLU A 46 -2.633 -1.207 10.795 1.00 0.00 N ATOM 658 CA GLU A 46 -1.272 -0.684 10.772 1.00 0.00 C ATOM 659 C GLU A 46 -0.971 -0.009 9.437 1.00 0.00 C ATOM 660 O GLU A 46 -0.195 0.944 9.373 1.00 0.00 O ATOM 661 CB GLU A 46 -0.266 -1.808 11.026 1.00 0.00 C ATOM 662 CG GLU A 46 -0.237 -2.285 12.469 1.00 0.00 C ATOM 663 CD GLU A 46 -1.591 -2.181 13.145 1.00 0.00 C ATOM 664 OE1 GLU A 46 -2.146 -1.063 13.189 1.00 0.00 O ATOM 665 OE2 GLU A 46 -2.095 -3.216 13.628 1.00 0.00 O ATOM 0 H GLU A 46 -2.699 -2.202 11.010 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.182 0.060 11.564 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.505 -2.651 10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.729 -1.463 10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.101 -3.321 12.499 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.490 -1.696 13.028 1.00 0.00 H new ATOM 672 N TRP A 47 -1.590 -0.511 8.375 1.00 0.00 N ATOM 673 CA TRP A 47 -1.388 0.042 7.041 1.00 0.00 C ATOM 674 C TRP A 47 -2.351 1.195 6.778 1.00 0.00 C ATOM 675 O TRP A 47 -2.018 2.143 6.068 1.00 0.00 O ATOM 676 CB TRP A 47 -1.574 -1.046 5.981 1.00 0.00 C ATOM 677 CG TRP A 47 -1.099 -0.636 4.620 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.876 -0.314 3.544 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.260 -0.508 4.189 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.082 0.007 2.470 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.233 -0.103 2.840 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.497 -0.693 4.812 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.395 0.118 2.106 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.650 -0.474 4.082 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.592 -0.071 2.741 1.00 0.00 C ATOM 0 H TRP A 47 -2.236 -1.300 8.411 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.369 0.424 6.984 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.036 -1.942 6.291 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.630 -1.312 5.925 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.956 -0.312 3.538 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.417 0.283 1.547 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.551 -1.002 5.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.353 0.428 1.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.612 -0.616 4.553 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.511 0.094 2.198 1.00 0.00 H new ATOM 696 N ALA A 48 -3.545 1.106 7.355 1.00 0.00 N ATOM 697 CA ALA A 48 -4.555 2.143 7.184 1.00 0.00 C ATOM 698 C ALA A 48 -4.088 3.467 7.780 1.00 0.00 C ATOM 699 O ALA A 48 -4.147 4.508 7.127 1.00 0.00 O ATOM 700 CB ALA A 48 -5.868 1.710 7.819 1.00 0.00 C ATOM 0 H ALA A 48 -3.836 0.326 7.945 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.712 2.291 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.613 2.494 7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.216 0.792 7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.716 1.533 8.884 1.00 0.00 H new ATOM 706 N ALA A 49 -3.625 3.419 9.025 1.00 0.00 N ATOM 707 CA ALA A 49 -3.147 4.615 9.709 1.00 0.00 C ATOM 708 C ALA A 49 -1.916 5.188 9.015 1.00 0.00 C ATOM 709 O ALA A 49 -1.844 6.388 8.750 1.00 0.00 O ATOM 710 CB ALA A 49 -2.838 4.302 11.165 1.00 0.00 C ATOM 0 H ALA A 49 -3.571 2.565 9.580 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.936 5.366 9.671 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.482 5.204 11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.741 3.946 11.660 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.069 3.532 11.216 1.00 0.00 H new ATOM 716 N ALA A 50 -0.949 4.324 8.726 1.00 0.00 N ATOM 717 CA ALA A 50 0.278 4.745 8.062 1.00 0.00 C ATOM 718 C ALA A 50 -0.026 5.547 6.802 1.00 0.00 C ATOM 719 O ALA A 50 0.606 6.569 6.537 1.00 0.00 O ATOM 720 CB ALA A 50 1.138 3.535 7.726 1.00 0.00 C ATOM 0 H ALA A 50 -0.992 3.328 8.941 1.00 0.00 H new ATOM 0 HA ALA A 50 0.829 5.390 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.051 3.864 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.394 3.004 8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.586 2.869 7.063 1.00 0.00 H new ATOM 726 N ALA A 51 -0.998 5.076 6.027 1.00 0.00 N ATOM 727 CA ALA A 51 -1.387 5.750 4.794 1.00 0.00 C ATOM 728 C ALA A 51 -1.769 7.202 5.060 1.00 0.00 C ATOM 729 O ALA A 51 -1.461 8.091 4.267 1.00 0.00 O ATOM 730 CB ALA A 51 -2.539 5.012 4.130 1.00 0.00 C ATOM 0 H ALA A 51 -1.530 4.230 6.231 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.531 5.745 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.819 5.526 3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.232 3.993 3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.393 4.987 4.806 1.00 0.00 H new ATOM 736 N SER A 52 -2.444 7.435 6.182 1.00 0.00 N ATOM 737 CA SER A 52 -2.873 8.780 6.550 1.00 0.00 C ATOM 738 C SER A 52 -1.710 9.584 7.121 1.00 0.00 C ATOM 739 O SER A 52 -1.546 10.763 6.812 1.00 0.00 O ATOM 740 CB SER A 52 -4.012 8.713 7.570 1.00 0.00 C ATOM 741 OG SER A 52 -4.861 9.842 7.461 1.00 0.00 O ATOM 0 H SER A 52 -2.705 6.711 6.851 1.00 0.00 H new ATOM 0 HA SER A 52 -3.230 9.280 5.650 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.591 7.803 7.414 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.599 8.660 8.578 1.00 0.00 H new ATOM 0 HG SER A 52 -5.581 9.775 8.122 1.00 0.00 H new ATOM 747 N GLU A 53 -0.905 8.936 7.958 1.00 0.00 N ATOM 748 CA GLU A 53 0.243 9.591 8.574 1.00 0.00 C ATOM 749 C GLU A 53 1.301 9.932 7.528 1.00 0.00 C ATOM 750 O GLU A 53 2.103 10.847 7.715 1.00 0.00 O ATOM 751 CB GLU A 53 0.850 8.695 9.655 1.00 0.00 C ATOM 752 CG GLU A 53 2.110 9.267 10.283 1.00 0.00 C ATOM 753 CD GLU A 53 1.813 10.329 11.324 1.00 0.00 C ATOM 754 OE1 GLU A 53 1.330 9.968 12.418 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.063 11.520 11.045 1.00 0.00 O ATOM 0 H GLU A 53 -1.027 7.959 8.225 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.103 10.518 9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.108 8.529 10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.080 7.722 9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.680 8.460 10.745 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.739 9.695 9.502 1.00 0.00 H new ATOM 762 N VAL A 54 1.297 9.188 6.426 1.00 0.00 N ATOM 763 CA VAL A 54 2.255 9.410 5.350 1.00 0.00 C ATOM 764 C VAL A 54 1.765 10.491 4.393 1.00 0.00 C ATOM 765 O VAL A 54 2.506 11.410 4.044 1.00 0.00 O ATOM 766 CB VAL A 54 2.516 8.117 4.555 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.257 8.425 3.263 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.295 7.121 5.401 1.00 0.00 C ATOM 0 H VAL A 54 0.641 8.426 6.255 1.00 0.00 H new ATOM 0 HA VAL A 54 3.185 9.735 5.816 1.00 0.00 H new ATOM 0 HB VAL A 54 1.556 7.669 4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.433 7.499 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.658 9.101 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.212 8.896 3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.471 6.213 4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.251 7.558 5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.722 6.877 6.296 1.00 0.00 H new ATOM 778 N LYS A 55 0.510 10.376 3.972 1.00 0.00 N ATOM 779 CA LYS A 55 -0.082 11.344 3.056 1.00 0.00 C ATOM 780 C LYS A 55 -0.187 12.718 3.710 1.00 0.00 C ATOM 781 O LYS A 55 -0.290 13.734 3.024 1.00 0.00 O ATOM 782 CB LYS A 55 -1.468 10.872 2.609 1.00 0.00 C ATOM 783 CG LYS A 55 -2.569 11.190 3.606 1.00 0.00 C ATOM 784 CD LYS A 55 -3.928 10.738 3.099 1.00 0.00 C ATOM 785 CE LYS A 55 -5.057 11.500 3.774 1.00 0.00 C ATOM 786 NZ LYS A 55 -6.392 11.083 3.263 1.00 0.00 N ATOM 0 H LYS A 55 -0.117 9.621 4.251 1.00 0.00 H new ATOM 0 HA LYS A 55 0.566 11.425 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.710 11.336 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.440 9.795 2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.353 10.701 4.556 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.589 12.263 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.982 10.885 2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.049 9.670 3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.013 11.336 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.923 12.569 3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.127 11.695 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.409 11.168 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.574 10.095 3.533 1.00 0.00 H new ATOM 800 N GLU A 56 -0.160 12.740 5.038 1.00 0.00 N ATOM 801 CA GLU A 56 -0.251 13.990 5.783 1.00 0.00 C ATOM 802 C GLU A 56 1.126 14.627 5.948 1.00 0.00 C ATOM 803 O GLU A 56 1.250 15.849 6.025 1.00 0.00 O ATOM 804 CB GLU A 56 -0.880 13.746 7.157 1.00 0.00 C ATOM 805 CG GLU A 56 0.111 13.270 8.205 1.00 0.00 C ATOM 806 CD GLU A 56 0.797 14.416 8.923 1.00 0.00 C ATOM 807 OE1 GLU A 56 0.704 15.562 8.434 1.00 0.00 O ATOM 808 OE2 GLU A 56 1.427 14.168 9.972 1.00 0.00 O ATOM 0 H GLU A 56 -0.076 11.907 5.620 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.884 14.675 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.346 14.669 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.674 13.006 7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.408 12.648 8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.864 12.642 7.729 1.00 0.00 H new ATOM 815 N GLN A 57 2.156 13.789 6.003 1.00 0.00 N ATOM 816 CA GLN A 57 3.524 14.270 6.160 1.00 0.00 C ATOM 817 C GLN A 57 4.169 14.528 4.802 1.00 0.00 C ATOM 818 O GLN A 57 5.076 15.353 4.680 1.00 0.00 O ATOM 819 CB GLN A 57 4.355 13.258 6.950 1.00 0.00 C ATOM 820 CG GLN A 57 4.041 13.241 8.437 1.00 0.00 C ATOM 821 CD GLN A 57 4.947 12.306 9.214 1.00 0.00 C ATOM 822 OE1 GLN A 57 4.908 11.024 8.872 1.00 0.00 O flip ATOM 823 NE2 GLN A 57 5.673 12.732 10.113 1.00 0.00 N flip ATOM 0 H GLN A 57 2.070 12.775 5.941 1.00 0.00 H new ATOM 0 HA GLN A 57 3.492 15.210 6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.185 12.262 6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.413 13.483 6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.138 14.250 8.837 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.004 12.939 8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.671 13.726 10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.276 12.091 10.628 1.00 0.00 H new ATOM 832 N THR A 58 3.697 13.817 3.783 1.00 0.00 N ATOM 833 CA THR A 58 4.230 13.967 2.435 1.00 0.00 C ATOM 834 C THR A 58 3.338 14.869 1.589 1.00 0.00 C ATOM 835 O THR A 58 3.570 15.044 0.393 1.00 0.00 O ATOM 836 CB THR A 58 4.374 12.604 1.733 1.00 0.00 C ATOM 837 OG1 THR A 58 3.082 12.027 1.513 1.00 0.00 O ATOM 838 CG2 THR A 58 5.224 11.654 2.564 1.00 0.00 C ATOM 0 H THR A 58 2.946 13.131 3.866 1.00 0.00 H new ATOM 0 HA THR A 58 5.215 14.423 2.533 1.00 0.00 H new ATOM 0 HB THR A 58 4.868 12.765 0.775 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.809 11.523 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.311 10.698 2.048 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.216 12.082 2.705 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.754 11.500 3.535 1.00 0.00 H new ATOM 846 N LYS A 59 2.317 15.442 2.218 1.00 0.00 N ATOM 847 CA LYS A 59 1.391 16.328 1.525 1.00 0.00 C ATOM 848 C LYS A 59 0.660 15.588 0.409 1.00 0.00 C ATOM 849 O LYS A 59 0.243 16.189 -0.579 1.00 0.00 O ATOM 850 CB LYS A 59 2.140 17.531 0.947 1.00 0.00 C ATOM 851 CG LYS A 59 2.564 18.545 1.995 1.00 0.00 C ATOM 852 CD LYS A 59 3.947 18.235 2.543 1.00 0.00 C ATOM 853 CE LYS A 59 4.658 19.497 3.007 1.00 0.00 C ATOM 854 NZ LYS A 59 5.651 19.212 4.080 1.00 0.00 N ATOM 0 H LYS A 59 2.110 15.308 3.208 1.00 0.00 H new ATOM 0 HA LYS A 59 0.654 16.678 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.024 17.177 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.505 18.025 0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.560 19.544 1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.841 18.550 2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.862 17.537 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.542 17.742 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.162 19.962 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.923 20.214 3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.114 20.097 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.167 18.792 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.367 18.548 3.723 1.00 0.00 H new ATOM 868 N GLY A 60 0.508 14.277 0.576 1.00 0.00 N ATOM 869 CA GLY A 60 -0.174 13.476 -0.424 1.00 0.00 C ATOM 870 C GLY A 60 0.780 12.889 -1.445 1.00 0.00 C ATOM 871 O GLY A 60 0.413 11.992 -2.205 1.00 0.00 O ATOM 0 H GLY A 60 0.845 13.756 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.716 12.669 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.915 14.091 -0.935 1.00 0.00 H new ATOM 875 N LYS A 61 2.008 13.396 -1.466 1.00 0.00 N ATOM 876 CA LYS A 61 3.018 12.917 -2.402 1.00 0.00 C ATOM 877 C LYS A 61 3.122 11.396 -2.359 1.00 0.00 C ATOM 878 O LYS A 61 2.792 10.714 -3.329 1.00 0.00 O ATOM 879 CB LYS A 61 4.378 13.542 -2.079 1.00 0.00 C ATOM 880 CG LYS A 61 5.554 12.750 -2.623 1.00 0.00 C ATOM 881 CD LYS A 61 5.380 12.435 -4.100 1.00 0.00 C ATOM 882 CE LYS A 61 5.802 13.607 -4.973 1.00 0.00 C ATOM 883 NZ LYS A 61 7.255 13.561 -5.299 1.00 0.00 N ATOM 0 H LYS A 61 2.328 14.139 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 61 2.717 13.214 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.411 14.552 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.480 13.632 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.474 13.316 -2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.659 11.821 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.971 11.556 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.337 12.188 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.222 13.600 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.574 14.542 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.621 14.530 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.766 13.068 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.394 13.052 -6.195 1.00 0.00 H new ATOM 897 N VAL A 62 3.582 10.871 -1.227 1.00 0.00 N ATOM 898 CA VAL A 62 3.726 9.430 -1.057 1.00 0.00 C ATOM 899 C VAL A 62 2.389 8.779 -0.725 1.00 0.00 C ATOM 900 O VAL A 62 1.882 8.909 0.390 1.00 0.00 O ATOM 901 CB VAL A 62 4.738 9.095 0.055 1.00 0.00 C ATOM 902 CG1 VAL A 62 4.955 7.592 0.145 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.055 9.818 -0.188 1.00 0.00 C ATOM 0 H VAL A 62 3.861 11.422 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 62 4.093 9.035 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 62 4.332 9.437 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.673 7.375 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.008 7.100 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.340 7.222 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.758 9.570 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.468 9.508 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.883 10.894 -0.197 1.00 0.00 H new ATOM 913 N LYS A 63 1.821 8.076 -1.699 1.00 0.00 N ATOM 914 CA LYS A 63 0.542 7.401 -1.511 1.00 0.00 C ATOM 915 C LYS A 63 0.749 5.940 -1.127 1.00 0.00 C ATOM 916 O LYS A 63 1.776 5.342 -1.450 1.00 0.00 O ATOM 917 CB LYS A 63 -0.298 7.491 -2.787 1.00 0.00 C ATOM 918 CG LYS A 63 -0.679 8.911 -3.167 1.00 0.00 C ATOM 919 CD LYS A 63 -1.032 9.019 -4.641 1.00 0.00 C ATOM 920 CE LYS A 63 -2.513 8.767 -4.879 1.00 0.00 C ATOM 921 NZ LYS A 63 -3.356 9.878 -4.355 1.00 0.00 N ATOM 0 H LYS A 63 2.227 7.959 -2.628 1.00 0.00 H new ATOM 0 HA LYS A 63 0.012 7.900 -0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.257 7.041 -3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.206 6.903 -2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.528 9.234 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.148 9.584 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.767 10.011 -5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.443 8.300 -5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.694 8.647 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.804 7.833 -4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.283 9.863 -4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.487 9.761 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.887 10.787 -4.542 1.00 0.00 H new ATOM 935 N LEU A 64 -0.233 5.369 -0.437 1.00 0.00 N ATOM 936 CA LEU A 64 -0.159 3.976 -0.011 1.00 0.00 C ATOM 937 C LEU A 64 -1.348 3.181 -0.541 1.00 0.00 C ATOM 938 O LEU A 64 -2.501 3.510 -0.265 1.00 0.00 O ATOM 939 CB LEU A 64 -0.114 3.892 1.516 1.00 0.00 C ATOM 940 CG LEU A 64 1.278 3.912 2.149 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.875 5.308 2.080 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.215 3.426 3.590 1.00 0.00 C ATOM 0 H LEU A 64 -1.089 5.849 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 64 0.754 3.544 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.688 4.725 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.618 2.976 1.824 1.00 0.00 H new ATOM 0 HG LEU A 64 1.922 3.236 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.865 5.303 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.956 5.618 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.232 6.006 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.214 3.447 4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.555 4.076 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.830 2.406 3.614 1.00 0.00 H new ATOM 954 N ALA A 65 -1.058 2.130 -1.302 1.00 0.00 N ATOM 955 CA ALA A 65 -2.103 1.285 -1.867 1.00 0.00 C ATOM 956 C ALA A 65 -1.871 -0.181 -1.518 1.00 0.00 C ATOM 957 O ALA A 65 -0.736 -0.605 -1.300 1.00 0.00 O ATOM 958 CB ALA A 65 -2.170 1.466 -3.376 1.00 0.00 C ATOM 0 H ALA A 65 -0.109 1.844 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.056 1.589 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.955 0.829 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.391 2.508 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.212 1.191 -3.818 1.00 0.00 H new ATOM 964 N ALA A 66 -2.953 -0.951 -1.467 1.00 0.00 N ATOM 965 CA ALA A 66 -2.867 -2.370 -1.146 1.00 0.00 C ATOM 966 C ALA A 66 -3.311 -3.228 -2.325 1.00 0.00 C ATOM 967 O ALA A 66 -4.060 -2.772 -3.190 1.00 0.00 O ATOM 968 CB ALA A 66 -3.705 -2.685 0.084 1.00 0.00 C ATOM 0 H ALA A 66 -3.900 -0.615 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.825 -2.606 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.631 -3.748 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.339 -2.106 0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.746 -2.427 -0.109 1.00 0.00 H new ATOM 974 N VAL A 67 -2.844 -4.472 -2.356 1.00 0.00 N ATOM 975 CA VAL A 67 -3.194 -5.394 -3.430 1.00 0.00 C ATOM 976 C VAL A 67 -3.344 -6.817 -2.905 1.00 0.00 C ATOM 977 O VAL A 67 -2.546 -7.276 -2.088 1.00 0.00 O ATOM 978 CB VAL A 67 -2.135 -5.380 -4.549 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.495 -6.379 -5.637 1.00 0.00 C ATOM 980 CG2 VAL A 67 -1.989 -3.980 -5.126 1.00 0.00 C ATOM 0 H VAL A 67 -2.222 -4.865 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.147 -5.058 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.176 -5.674 -4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.736 -6.355 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.544 -7.380 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.464 -6.119 -6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.237 -3.988 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.944 -3.655 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.681 -3.292 -4.338 1.00 0.00 H new ATOM 990 N ASP A 68 -4.372 -7.512 -3.381 1.00 0.00 N ATOM 991 CA ASP A 68 -4.626 -8.885 -2.961 1.00 0.00 C ATOM 992 C ASP A 68 -3.886 -9.873 -3.857 1.00 0.00 C ATOM 993 O ASP A 68 -4.270 -10.092 -5.006 1.00 0.00 O ATOM 994 CB ASP A 68 -6.127 -9.179 -2.987 1.00 0.00 C ATOM 995 CG ASP A 68 -6.473 -10.485 -2.299 1.00 0.00 C ATOM 996 OD1 ASP A 68 -5.539 -11.227 -1.930 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.678 -10.764 -2.130 1.00 0.00 O ATOM 0 H ASP A 68 -5.042 -7.147 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.258 -9.001 -1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.663 -8.363 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.469 -9.215 -4.021 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.823 -10.466 -3.324 1.00 0.00 N ATOM 1003 CA ALA A 69 -2.030 -11.431 -4.074 1.00 0.00 C ATOM 1004 C ALA A 69 -2.887 -12.604 -4.538 1.00 0.00 C ATOM 1005 O ALA A 69 -2.459 -13.413 -5.363 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.865 -11.927 -3.231 1.00 0.00 C ATOM 0 H ALA A 69 -2.491 -10.295 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.636 -10.930 -4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.282 -12.647 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.231 -11.084 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.246 -12.405 -2.329 1.00 0.00 H new ATOM 1012 N THR A 70 -4.101 -12.692 -4.003 1.00 0.00 N ATOM 1013 CA THR A 70 -5.017 -13.767 -4.360 1.00 0.00 C ATOM 1014 C THR A 70 -5.793 -13.430 -5.628 1.00 0.00 C ATOM 1015 O THR A 70 -6.315 -14.317 -6.303 1.00 0.00 O ATOM 1016 CB THR A 70 -6.015 -14.056 -3.223 1.00 0.00 C ATOM 1017 OG1 THR A 70 -6.941 -12.971 -3.097 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.287 -14.263 -1.903 1.00 0.00 C ATOM 0 H THR A 70 -4.472 -12.031 -3.321 1.00 0.00 H new ATOM 0 HA THR A 70 -4.409 -14.655 -4.534 1.00 0.00 H new ATOM 0 HB THR A 70 -6.557 -14.970 -3.468 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.815 -12.532 -2.230 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.013 -14.466 -1.115 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.604 -15.107 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.722 -13.364 -1.654 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.864 -12.141 -5.948 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.574 -11.687 -7.137 1.00 0.00 C ATOM 1028 C VAL A 71 -5.605 -11.153 -8.186 1.00 0.00 C ATOM 1029 O VAL A 71 -5.822 -11.315 -9.386 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.598 -10.588 -6.793 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.323 -10.123 -8.047 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.586 -11.088 -5.750 1.00 0.00 C ATOM 0 H VAL A 71 -5.438 -11.394 -5.400 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.101 -12.552 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.064 -9.735 -6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.042 -9.347 -7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.600 -9.723 -8.758 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.847 -10.966 -8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.302 -10.299 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.117 -11.957 -6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.048 -11.367 -4.844 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.534 -10.515 -7.724 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.531 -9.957 -8.623 1.00 0.00 C ATOM 1044 C ASN A 72 -2.437 -10.979 -8.919 1.00 0.00 C ATOM 1045 O ASN A 72 -1.627 -11.303 -8.052 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.915 -8.696 -8.013 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.739 -7.455 -8.296 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.403 -6.661 -9.175 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.824 -7.283 -7.550 1.00 0.00 N ATOM 0 H ASN A 72 -4.339 -10.372 -6.733 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.023 -9.696 -9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.819 -8.827 -6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.909 -8.559 -8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.418 -6.466 -7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.064 -7.968 -6.833 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.421 -11.480 -10.150 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.427 -12.465 -10.560 1.00 0.00 C ATOM 1058 C GLN A 73 -0.392 -11.839 -11.489 1.00 0.00 C ATOM 1059 O GLN A 73 0.799 -12.138 -11.398 1.00 0.00 O ATOM 1060 CB GLN A 73 -2.106 -13.647 -11.256 1.00 0.00 C ATOM 1061 CG GLN A 73 -3.053 -14.422 -10.354 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.354 -15.528 -9.587 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.839 -16.478 -10.177 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.332 -15.409 -8.265 1.00 0.00 N ATOM 0 H GLN A 73 -3.084 -11.220 -10.880 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.917 -12.823 -9.666 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.660 -13.280 -12.120 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.340 -14.325 -11.633 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.520 -13.735 -9.648 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.852 -14.852 -10.957 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.772 -14.605 -7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.875 -16.122 -7.696 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.854 -10.970 -12.382 1.00 0.00 N ATOM 1074 CA VAL A 74 0.032 -10.301 -13.327 1.00 0.00 C ATOM 1075 C VAL A 74 1.164 -9.581 -12.604 1.00 0.00 C ATOM 1076 O VAL A 74 2.314 -9.608 -13.045 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.736 -9.287 -14.195 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.194 -8.641 -15.210 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.910 -9.960 -14.888 1.00 0.00 C ATOM 0 H VAL A 74 -1.837 -10.713 -12.471 1.00 0.00 H new ATOM 0 HA VAL A 74 0.451 -11.075 -13.971 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.128 -8.503 -13.547 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.366 -7.928 -15.814 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.998 -8.122 -14.688 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.618 -9.410 -15.856 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.441 -9.228 -15.497 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.544 -10.765 -15.525 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.588 -10.370 -14.139 1.00 0.00 H new ATOM 1089 N LEU A 75 0.832 -8.937 -11.490 1.00 0.00 N ATOM 1090 CA LEU A 75 1.821 -8.208 -10.704 1.00 0.00 C ATOM 1091 C LEU A 75 2.572 -9.149 -9.766 1.00 0.00 C ATOM 1092 O LEU A 75 3.801 -9.133 -9.708 1.00 0.00 O ATOM 1093 CB LEU A 75 1.144 -7.099 -9.897 1.00 0.00 C ATOM 1094 CG LEU A 75 -0.006 -6.370 -10.592 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.843 -5.604 -9.579 1.00 0.00 C ATOM 1096 CD2 LEU A 75 0.528 -5.432 -11.664 1.00 0.00 C ATOM 0 H LEU A 75 -0.114 -8.905 -11.111 1.00 0.00 H new ATOM 0 HA LEU A 75 2.538 -7.761 -11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.767 -7.530 -8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.900 -6.364 -9.622 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.644 -7.112 -11.072 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.657 -5.092 -10.092 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.256 -6.299 -8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.217 -4.871 -9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.304 -4.922 -12.148 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.189 -4.696 -11.207 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.083 -6.006 -12.406 1.00 0.00 H new ATOM 1108 N ALA A 76 1.823 -9.970 -9.036 1.00 0.00 N ATOM 1109 CA ALA A 76 2.418 -10.920 -8.105 1.00 0.00 C ATOM 1110 C ALA A 76 3.525 -11.727 -8.776 1.00 0.00 C ATOM 1111 O ALA A 76 4.571 -11.978 -8.178 1.00 0.00 O ATOM 1112 CB ALA A 76 1.350 -11.849 -7.546 1.00 0.00 C ATOM 0 H ALA A 76 0.804 -9.996 -9.072 1.00 0.00 H new ATOM 0 HA ALA A 76 2.862 -10.357 -7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.808 -12.554 -6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.595 -11.262 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.881 -12.397 -8.363 1.00 0.00 H new ATOM 1118 N SER A 77 3.286 -12.130 -10.020 1.00 0.00 N ATOM 1119 CA SER A 77 4.262 -12.912 -10.770 1.00 0.00 C ATOM 1120 C SER A 77 5.375 -12.019 -11.310 1.00 0.00 C ATOM 1121 O SER A 77 6.545 -12.402 -11.316 1.00 0.00 O ATOM 1122 CB SER A 77 3.578 -13.648 -11.924 1.00 0.00 C ATOM 1123 OG SER A 77 4.401 -14.687 -12.425 1.00 0.00 O ATOM 0 H SER A 77 2.426 -11.928 -10.529 1.00 0.00 H new ATOM 0 HA SER A 77 4.703 -13.643 -10.092 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.630 -14.063 -11.583 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.349 -12.944 -12.724 1.00 0.00 H new ATOM 0 HG SER A 77 3.941 -15.143 -13.160 1.00 0.00 H new ATOM 1129 N ARG A 78 5.001 -10.827 -11.762 1.00 0.00 N ATOM 1130 CA ARG A 78 5.966 -9.879 -12.306 1.00 0.00 C ATOM 1131 C ARG A 78 7.154 -9.712 -11.363 1.00 0.00 C ATOM 1132 O ARG A 78 8.308 -9.840 -11.774 1.00 0.00 O ATOM 1133 CB ARG A 78 5.300 -8.523 -12.548 1.00 0.00 C ATOM 1134 CG ARG A 78 6.138 -7.575 -13.390 1.00 0.00 C ATOM 1135 CD ARG A 78 5.429 -6.247 -13.608 1.00 0.00 C ATOM 1136 NE ARG A 78 5.928 -5.547 -14.788 1.00 0.00 N ATOM 1137 CZ ARG A 78 5.628 -5.898 -16.033 1.00 0.00 C ATOM 1138 NH1 ARG A 78 4.835 -6.936 -16.259 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.121 -5.211 -17.055 1.00 0.00 N ATOM 0 H ARG A 78 4.037 -10.494 -11.762 1.00 0.00 H new ATOM 0 HA ARG A 78 6.329 -10.273 -13.255 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.341 -8.682 -13.041 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.091 -8.054 -11.587 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.096 -7.401 -12.899 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.353 -8.036 -14.354 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.358 -6.421 -13.716 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.562 -5.616 -12.729 1.00 0.00 H new ATOM 0 HE ARG A 78 6.541 -4.744 -14.648 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.454 -7.467 -15.476 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.606 -7.204 -17.216 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.732 -4.412 -16.885 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.890 -5.482 -18.011 1.00 0.00 H new ATOM 1153 N TYR A 79 6.864 -9.426 -10.099 1.00 0.00 N ATOM 1154 CA TYR A 79 7.909 -9.239 -9.099 1.00 0.00 C ATOM 1155 C TYR A 79 8.075 -10.493 -8.245 1.00 0.00 C ATOM 1156 O TYR A 79 9.101 -10.680 -7.591 1.00 0.00 O ATOM 1157 CB TYR A 79 7.581 -8.041 -8.207 1.00 0.00 C ATOM 1158 CG TYR A 79 7.147 -6.814 -8.977 1.00 0.00 C ATOM 1159 CD1 TYR A 79 8.082 -5.914 -9.474 1.00 0.00 C ATOM 1160 CD2 TYR A 79 5.802 -6.554 -9.207 1.00 0.00 C ATOM 1161 CE1 TYR A 79 7.690 -4.792 -10.178 1.00 0.00 C ATOM 1162 CE2 TYR A 79 5.400 -5.435 -9.910 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.348 -4.557 -10.394 1.00 0.00 C ATOM 1164 OH TYR A 79 5.952 -3.440 -11.094 1.00 0.00 O ATOM 0 H TYR A 79 5.914 -9.319 -9.742 1.00 0.00 H new ATOM 0 HA TYR A 79 8.847 -9.049 -9.621 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.790 -8.322 -7.512 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.458 -7.793 -7.609 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.134 -6.095 -9.307 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.057 -7.239 -8.829 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.430 -4.103 -10.557 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.350 -5.248 -10.080 1.00 0.00 H new ATOM 0 HH TYR A 79 5.720 -2.725 -10.465 1.00 0.00 H new ATOM 1174 N GLY A 80 7.058 -11.348 -8.256 1.00 0.00 N ATOM 1175 CA GLY A 80 7.110 -12.573 -7.480 1.00 0.00 C ATOM 1176 C GLY A 80 6.779 -12.348 -6.018 1.00 0.00 C ATOM 1177 O GLY A 80 7.676 -12.248 -5.179 1.00 0.00 O ATOM 0 H GLY A 80 6.198 -11.214 -8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.411 -13.296 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.106 -13.009 -7.561 1.00 0.00 H new ATOM 1181 N ILE A 81 5.489 -12.266 -5.711 1.00 0.00 N ATOM 1182 CA ILE A 81 5.042 -12.050 -4.340 1.00 0.00 C ATOM 1183 C ILE A 81 4.393 -13.306 -3.769 1.00 0.00 C ATOM 1184 O ILE A 81 3.280 -13.669 -4.149 1.00 0.00 O ATOM 1185 CB ILE A 81 4.041 -10.883 -4.252 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.562 -9.674 -5.032 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.786 -10.512 -2.798 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.756 -9.008 -4.386 1.00 0.00 C ATOM 0 H ILE A 81 4.735 -12.346 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 81 5.928 -11.803 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 81 3.098 -11.199 -4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.834 -9.991 -6.039 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.759 -8.944 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.077 -9.686 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.375 -11.372 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.723 -10.212 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.072 -8.159 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.484 -8.660 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.575 -9.724 -4.309 1.00 0.00 H new ATOM 1200 N ARG A 82 5.097 -13.965 -2.854 1.00 0.00 N ATOM 1201 CA ARG A 82 4.589 -15.180 -2.229 1.00 0.00 C ATOM 1202 C ARG A 82 4.583 -15.049 -0.709 1.00 0.00 C ATOM 1203 O ARG A 82 3.812 -15.716 -0.021 1.00 0.00 O ATOM 1204 CB ARG A 82 5.437 -16.384 -2.644 1.00 0.00 C ATOM 1205 CG ARG A 82 6.862 -16.337 -2.116 1.00 0.00 C ATOM 1206 CD ARG A 82 7.455 -17.731 -1.989 1.00 0.00 C ATOM 1207 NE ARG A 82 8.525 -17.782 -0.997 1.00 0.00 N ATOM 1208 CZ ARG A 82 8.894 -18.894 -0.371 1.00 0.00 C ATOM 1209 NH1 ARG A 82 8.283 -20.041 -0.634 1.00 0.00 N ATOM 1210 NH2 ARG A 82 9.877 -18.860 0.520 1.00 0.00 N ATOM 0 H ARG A 82 6.020 -13.678 -2.529 1.00 0.00 H new ATOM 0 HA ARG A 82 3.564 -15.331 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.957 -17.296 -2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.463 -16.441 -3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.479 -15.737 -2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.875 -15.845 -1.143 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.670 -18.435 -1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.842 -18.050 -2.957 1.00 0.00 H new ATOM 0 HE ARG A 82 9.016 -16.917 -0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.527 -20.071 -1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.569 -20.893 -0.152 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.350 -17.980 0.725 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.160 -19.714 1.000 1.00 0.00 H new ATOM 1224 N GLY A 83 5.449 -14.183 -0.191 1.00 0.00 N ATOM 1225 CA GLY A 83 5.528 -13.980 1.243 1.00 0.00 C ATOM 1226 C GLY A 83 4.923 -12.659 1.676 1.00 0.00 C ATOM 1227 O GLY A 83 5.569 -11.614 1.588 1.00 0.00 O ATOM 0 H GLY A 83 6.097 -13.618 -0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.014 -14.796 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.572 -14.018 1.555 1.00 0.00 H new ATOM 1231 N PHE A 84 3.680 -12.703 2.144 1.00 0.00 N ATOM 1232 CA PHE A 84 2.987 -11.500 2.589 1.00 0.00 C ATOM 1233 C PHE A 84 3.063 -11.359 4.107 1.00 0.00 C ATOM 1234 O PHE A 84 3.207 -12.337 4.840 1.00 0.00 O ATOM 1235 CB PHE A 84 1.524 -11.533 2.141 1.00 0.00 C ATOM 1236 CG PHE A 84 1.300 -12.322 0.883 1.00 0.00 C ATOM 1237 CD1 PHE A 84 2.291 -12.407 -0.082 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.100 -12.979 0.666 1.00 0.00 C ATOM 1239 CE1 PHE A 84 2.087 -13.132 -1.242 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.109 -13.706 -0.491 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.886 -13.783 -1.446 1.00 0.00 C ATOM 0 H PHE A 84 3.132 -13.559 2.225 1.00 0.00 H new ATOM 0 HA PHE A 84 3.479 -10.639 2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.917 -11.959 2.940 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.177 -10.511 1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.233 -11.902 0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.681 -12.923 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.866 -13.189 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.049 -14.213 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.725 -14.351 -2.350 1.00 0.00 H new ATOM 1251 N PRO A 85 2.965 -10.112 4.590 1.00 0.00 N ATOM 1252 CA PRO A 85 2.795 -8.939 3.727 1.00 0.00 C ATOM 1253 C PRO A 85 4.047 -8.631 2.914 1.00 0.00 C ATOM 1254 O PRO A 85 5.140 -9.100 3.235 1.00 0.00 O ATOM 1255 CB PRO A 85 2.508 -7.808 4.717 1.00 0.00 C ATOM 1256 CG PRO A 85 3.139 -8.251 5.992 1.00 0.00 C ATOM 1257 CD PRO A 85 3.014 -9.750 6.017 1.00 0.00 C ATOM 0 HA PRO A 85 2.007 -9.087 2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.931 -6.864 4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.436 -7.651 4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.184 -7.946 6.037 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.639 -7.803 6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.861 -10.216 6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.115 -10.070 6.544 1.00 0.00 H new ATOM 1265 N THR A 86 3.883 -7.839 1.859 1.00 0.00 N ATOM 1266 CA THR A 86 5.000 -7.468 0.999 1.00 0.00 C ATOM 1267 C THR A 86 4.934 -5.994 0.616 1.00 0.00 C ATOM 1268 O THR A 86 4.085 -5.588 -0.178 1.00 0.00 O ATOM 1269 CB THR A 86 5.028 -8.320 -0.284 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.667 -9.672 0.018 1.00 0.00 O ATOM 1271 CG2 THR A 86 6.408 -8.288 -0.924 1.00 0.00 C ATOM 0 H THR A 86 2.986 -7.442 1.579 1.00 0.00 H new ATOM 0 HA THR A 86 5.911 -7.651 1.568 1.00 0.00 H new ATOM 0 HB THR A 86 4.309 -7.902 -0.988 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.293 -10.038 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.404 -8.897 -1.828 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.667 -7.260 -1.179 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.143 -8.684 -0.224 1.00 0.00 H new ATOM 1279 N ILE A 87 5.834 -5.199 1.184 1.00 0.00 N ATOM 1280 CA ILE A 87 5.878 -3.770 0.900 1.00 0.00 C ATOM 1281 C ILE A 87 6.942 -3.450 -0.145 1.00 0.00 C ATOM 1282 O ILE A 87 8.123 -3.743 0.046 1.00 0.00 O ATOM 1283 CB ILE A 87 6.161 -2.951 2.173 1.00 0.00 C ATOM 1284 CG1 ILE A 87 5.194 -3.351 3.288 1.00 0.00 C ATOM 1285 CG2 ILE A 87 6.053 -1.462 1.879 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.708 -3.038 4.676 1.00 0.00 C ATOM 0 H ILE A 87 6.543 -5.520 1.844 1.00 0.00 H new ATOM 0 HA ILE A 87 4.897 -3.495 0.512 1.00 0.00 H new ATOM 0 HB ILE A 87 7.177 -3.163 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.245 -2.837 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.992 -4.420 3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.256 -0.896 2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.778 -1.189 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.048 -1.233 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.970 -3.349 5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.642 -3.573 4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.883 -1.966 4.766 1.00 0.00 H new ATOM 1298 N LYS A 88 6.517 -2.845 -1.248 1.00 0.00 N ATOM 1299 CA LYS A 88 7.433 -2.480 -2.323 1.00 0.00 C ATOM 1300 C LYS A 88 7.186 -1.048 -2.786 1.00 0.00 C ATOM 1301 O LYS A 88 6.050 -0.664 -3.066 1.00 0.00 O ATOM 1302 CB LYS A 88 7.276 -3.443 -3.502 1.00 0.00 C ATOM 1303 CG LYS A 88 7.570 -4.891 -3.148 1.00 0.00 C ATOM 1304 CD LYS A 88 9.035 -5.231 -3.364 1.00 0.00 C ATOM 1305 CE LYS A 88 9.223 -6.705 -3.693 1.00 0.00 C ATOM 1306 NZ LYS A 88 10.541 -7.214 -3.225 1.00 0.00 N ATOM 0 H LYS A 88 5.543 -2.596 -1.422 1.00 0.00 H new ATOM 0 HA LYS A 88 8.451 -2.548 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.258 -3.371 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.943 -3.132 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.303 -5.074 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.949 -5.549 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.435 -4.622 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.603 -4.982 -2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.425 -7.285 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.139 -6.850 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.630 -8.221 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.304 -6.678 -3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.611 -7.099 -2.194 1.00 0.00 H new ATOM 1320 N ILE A 89 8.256 -0.264 -2.866 1.00 0.00 N ATOM 1321 CA ILE A 89 8.154 1.124 -3.298 1.00 0.00 C ATOM 1322 C ILE A 89 8.363 1.248 -4.804 1.00 0.00 C ATOM 1323 O ILE A 89 9.219 0.576 -5.380 1.00 0.00 O ATOM 1324 CB ILE A 89 9.180 2.015 -2.574 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.795 2.182 -1.103 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.280 3.371 -3.258 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.240 1.031 -0.228 1.00 0.00 C ATOM 0 H ILE A 89 9.203 -0.566 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 89 7.149 1.461 -3.044 1.00 0.00 H new ATOM 0 HB ILE A 89 10.156 1.532 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 89 9.232 3.106 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.713 2.287 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.009 3.990 -2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.596 3.234 -4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.307 3.862 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.933 1.217 0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.783 0.107 -0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.325 0.939 -0.272 1.00 0.00 H new ATOM 1339 N PHE A 90 7.577 2.113 -5.436 1.00 0.00 N ATOM 1340 CA PHE A 90 7.676 2.326 -6.875 1.00 0.00 C ATOM 1341 C PHE A 90 7.882 3.804 -7.193 1.00 0.00 C ATOM 1342 O PHE A 90 6.958 4.609 -7.078 1.00 0.00 O ATOM 1343 CB PHE A 90 6.416 1.813 -7.576 1.00 0.00 C ATOM 1344 CG PHE A 90 6.301 0.316 -7.581 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.691 -0.349 -6.529 1.00 0.00 C ATOM 1346 CD2 PHE A 90 6.802 -0.427 -8.637 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.582 -1.727 -6.531 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.696 -1.805 -8.645 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.087 -2.456 -7.590 1.00 0.00 C ATOM 0 H PHE A 90 6.864 2.678 -4.974 1.00 0.00 H new ATOM 0 HA PHE A 90 8.539 1.770 -7.241 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.539 2.235 -7.085 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.410 2.173 -8.605 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.296 0.216 -5.698 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.281 0.076 -9.464 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.103 -2.233 -5.706 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.089 -2.372 -9.476 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.006 -3.533 -7.593 1.00 0.00 H new ATOM 1359 N GLN A 91 9.101 4.153 -7.592 1.00 0.00 N ATOM 1360 CA GLN A 91 9.429 5.534 -7.925 1.00 0.00 C ATOM 1361 C GLN A 91 9.266 5.787 -9.420 1.00 0.00 C ATOM 1362 O GLN A 91 9.194 4.850 -10.215 1.00 0.00 O ATOM 1363 CB GLN A 91 10.861 5.858 -7.495 1.00 0.00 C ATOM 1364 CG GLN A 91 11.081 5.763 -5.994 1.00 0.00 C ATOM 1365 CD GLN A 91 10.660 7.022 -5.262 1.00 0.00 C ATOM 1366 OE1 GLN A 91 10.369 8.046 -5.880 1.00 0.00 O ATOM 1367 NE2 GLN A 91 10.626 6.953 -3.936 1.00 0.00 N ATOM 0 H GLN A 91 9.877 3.499 -7.692 1.00 0.00 H new ATOM 0 HA GLN A 91 8.739 6.184 -7.387 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.546 5.176 -7.998 1.00 0.00 H new ATOM 0 HB3 GLN A 91 11.113 6.865 -7.828 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.521 4.914 -5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 91 12.135 5.568 -5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.875 6.084 -3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.351 7.769 -3.390 1.00 0.00 H new ATOM 1376 N LYS A 92 9.207 7.060 -9.796 1.00 0.00 N ATOM 1377 CA LYS A 92 9.052 7.438 -11.196 1.00 0.00 C ATOM 1378 C LYS A 92 10.411 7.650 -11.856 1.00 0.00 C ATOM 1379 O LYS A 92 11.117 8.611 -11.552 1.00 0.00 O ATOM 1380 CB LYS A 92 8.214 8.713 -11.312 1.00 0.00 C ATOM 1381 CG LYS A 92 7.659 8.951 -12.706 1.00 0.00 C ATOM 1382 CD LYS A 92 6.475 8.044 -12.997 1.00 0.00 C ATOM 1383 CE LYS A 92 6.412 7.665 -14.469 1.00 0.00 C ATOM 1384 NZ LYS A 92 5.718 8.703 -15.280 1.00 0.00 N ATOM 0 H LYS A 92 9.264 7.848 -9.151 1.00 0.00 H new ATOM 0 HA LYS A 92 8.540 6.625 -11.711 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.386 8.659 -10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.826 9.568 -11.023 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.353 9.993 -12.804 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.442 8.778 -13.445 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.549 7.141 -12.391 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.551 8.546 -12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.423 7.522 -14.851 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.893 6.713 -14.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.140 8.741 -16.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.709 8.465 -15.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.820 9.630 -14.819 1.00 0.00 H new ATOM 1398 N GLY A 93 10.772 6.745 -12.761 1.00 0.00 N ATOM 1399 CA GLY A 93 12.045 6.852 -13.451 1.00 0.00 C ATOM 1400 C GLY A 93 13.046 5.814 -12.984 1.00 0.00 C ATOM 1401 O GLY A 93 13.739 5.203 -13.796 1.00 0.00 O ATOM 0 H GLY A 93 10.206 5.940 -13.029 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.884 6.741 -14.523 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.458 7.848 -13.292 1.00 0.00 H new ATOM 1405 N GLU A 94 13.122 5.616 -11.671 1.00 0.00 N ATOM 1406 CA GLU A 94 14.048 4.646 -11.099 1.00 0.00 C ATOM 1407 C GLU A 94 13.337 3.332 -10.789 1.00 0.00 C ATOM 1408 O GLU A 94 12.116 3.294 -10.643 1.00 0.00 O ATOM 1409 CB GLU A 94 14.685 5.206 -9.825 1.00 0.00 C ATOM 1410 CG GLU A 94 15.473 6.486 -10.051 1.00 0.00 C ATOM 1411 CD GLU A 94 15.952 7.112 -8.755 1.00 0.00 C ATOM 1412 OE1 GLU A 94 15.119 7.296 -7.843 1.00 0.00 O ATOM 1413 OE2 GLU A 94 17.158 7.419 -8.654 1.00 0.00 O ATOM 0 H GLU A 94 12.554 6.114 -10.985 1.00 0.00 H new ATOM 0 HA GLU A 94 14.830 4.452 -11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.902 5.396 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.347 4.452 -9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.332 6.272 -10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.850 7.202 -10.588 1.00 0.00 H new ATOM 1420 N SER A 95 14.111 2.256 -10.691 1.00 0.00 N ATOM 1421 CA SER A 95 13.556 0.938 -10.404 1.00 0.00 C ATOM 1422 C SER A 95 13.008 0.878 -8.981 1.00 0.00 C ATOM 1423 O SER A 95 13.477 1.572 -8.078 1.00 0.00 O ATOM 1424 CB SER A 95 14.623 -0.141 -10.597 1.00 0.00 C ATOM 1425 OG SER A 95 15.459 -0.242 -9.457 1.00 0.00 O ATOM 0 H SER A 95 15.124 2.271 -10.806 1.00 0.00 H new ATOM 0 HA SER A 95 12.736 0.757 -11.099 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.143 -1.101 -10.786 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.226 0.092 -11.474 1.00 0.00 H new ATOM 0 HG SER A 95 16.131 -0.940 -9.605 1.00 0.00 H new ATOM 1431 N PRO A 96 11.991 0.029 -8.775 1.00 0.00 N ATOM 1432 CA PRO A 96 11.356 -0.143 -7.465 1.00 0.00 C ATOM 1433 C PRO A 96 12.271 -0.842 -6.465 1.00 0.00 C ATOM 1434 O PRO A 96 13.058 -1.714 -6.833 1.00 0.00 O ATOM 1435 CB PRO A 96 10.136 -1.014 -7.774 1.00 0.00 C ATOM 1436 CG PRO A 96 10.504 -1.757 -9.012 1.00 0.00 C ATOM 1437 CD PRO A 96 11.382 -0.829 -9.805 1.00 0.00 C ATOM 0 HA PRO A 96 11.108 0.813 -7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.919 -1.697 -6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.244 -0.406 -7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.030 -2.681 -8.771 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.616 -2.034 -9.580 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.137 -1.375 -10.370 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.805 -0.247 -10.524 1.00 0.00 H new ATOM 1445 N VAL A 97 12.161 -0.455 -5.198 1.00 0.00 N ATOM 1446 CA VAL A 97 12.977 -1.046 -4.145 1.00 0.00 C ATOM 1447 C VAL A 97 12.169 -2.036 -3.314 1.00 0.00 C ATOM 1448 O VAL A 97 10.955 -2.154 -3.478 1.00 0.00 O ATOM 1449 CB VAL A 97 13.560 0.034 -3.214 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.623 0.847 -3.937 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.454 0.936 -2.687 1.00 0.00 C ATOM 0 H VAL A 97 11.514 0.265 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 97 13.796 -1.572 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 97 14.031 -0.460 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.023 1.605 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.428 0.187 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.181 1.332 -4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.884 1.693 -2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.952 1.423 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.733 0.339 -2.129 1.00 0.00 H new ATOM 1461 N ASP A 98 12.851 -2.744 -2.420 1.00 0.00 N ATOM 1462 CA ASP A 98 12.196 -3.724 -1.561 1.00 0.00 C ATOM 1463 C ASP A 98 12.234 -3.279 -0.102 1.00 0.00 C ATOM 1464 O ASP A 98 13.299 -3.231 0.515 1.00 0.00 O ATOM 1465 CB ASP A 98 12.866 -5.091 -1.708 1.00 0.00 C ATOM 1466 CG ASP A 98 14.199 -5.163 -0.990 1.00 0.00 C ATOM 1467 OD1 ASP A 98 15.131 -4.438 -1.396 1.00 0.00 O ATOM 1468 OD2 ASP A 98 14.311 -5.944 -0.022 1.00 0.00 O ATOM 0 H ASP A 98 13.856 -2.658 -2.271 1.00 0.00 H new ATOM 0 HA ASP A 98 11.154 -3.804 -1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.203 -5.861 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.014 -5.308 -2.766 1.00 0.00 H new ATOM 1473 N TYR A 99 11.067 -2.954 0.442 1.00 0.00 N ATOM 1474 CA TYR A 99 10.968 -2.509 1.827 1.00 0.00 C ATOM 1475 C TYR A 99 11.009 -3.696 2.785 1.00 0.00 C ATOM 1476 O TYR A 99 10.322 -4.698 2.580 1.00 0.00 O ATOM 1477 CB TYR A 99 9.678 -1.714 2.038 1.00 0.00 C ATOM 1478 CG TYR A 99 9.470 -1.265 3.467 1.00 0.00 C ATOM 1479 CD1 TYR A 99 8.871 -2.103 4.399 1.00 0.00 C ATOM 1480 CD2 TYR A 99 9.874 -0.003 3.884 1.00 0.00 C ATOM 1481 CE1 TYR A 99 8.679 -1.696 5.705 1.00 0.00 C ATOM 1482 CE2 TYR A 99 9.687 0.412 5.189 1.00 0.00 C ATOM 1483 CZ TYR A 99 9.088 -0.438 6.095 1.00 0.00 C ATOM 1484 OH TYR A 99 8.900 -0.030 7.396 1.00 0.00 O ATOM 0 H TYR A 99 10.177 -2.990 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 99 11.822 -1.866 2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.691 -0.838 1.389 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.830 -2.326 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.550 -3.089 4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.342 0.665 3.176 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.211 -2.360 6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 99 10.008 1.396 5.497 1.00 0.00 H new ATOM 0 HH TYR A 99 9.244 0.881 7.506 1.00 0.00 H new ATOM 1544 N THR A 104 4.765 -1.761 11.319 1.00 0.00 N ATOM 1545 CA THR A 104 3.881 -0.861 12.049 1.00 0.00 C ATOM 1546 C THR A 104 3.875 0.529 11.424 1.00 0.00 C ATOM 1547 O THR A 104 4.925 1.067 11.073 1.00 0.00 O ATOM 1548 CB THR A 104 4.294 -0.745 13.528 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.667 -0.350 13.624 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.090 -2.068 14.252 1.00 0.00 C ATOM 0 HA THR A 104 2.879 -1.287 11.992 1.00 0.00 H new ATOM 0 HB THR A 104 3.665 0.010 14.000 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.170 -0.732 12.875 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.388 -1.962 15.295 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.039 -2.352 14.202 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.697 -2.840 13.778 1.00 0.00 H new ATOM 1558 N ARG A 105 2.686 1.107 11.289 1.00 0.00 N ATOM 1559 CA ARG A 105 2.543 2.436 10.706 1.00 0.00 C ATOM 1560 C ARG A 105 3.730 3.321 11.076 1.00 0.00 C ATOM 1561 O ARG A 105 4.150 4.172 10.291 1.00 0.00 O ATOM 1562 CB ARG A 105 1.241 3.086 11.178 1.00 0.00 C ATOM 1563 CG ARG A 105 1.326 3.674 12.577 1.00 0.00 C ATOM 1564 CD ARG A 105 -0.054 3.980 13.138 1.00 0.00 C ATOM 1565 NE ARG A 105 0.008 4.443 14.521 1.00 0.00 N ATOM 1566 CZ ARG A 105 -1.048 4.884 15.196 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -2.241 4.922 14.618 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.912 5.289 16.452 1.00 0.00 N ATOM 0 H ARG A 105 1.807 0.676 11.576 1.00 0.00 H new ATOM 0 HA ARG A 105 2.515 2.329 9.622 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.964 3.874 10.478 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.444 2.343 11.153 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.841 2.975 13.236 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.921 4.587 12.554 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.535 4.740 12.522 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.674 3.085 13.083 1.00 0.00 H new ATOM 0 HE ARG A 105 0.911 4.427 14.995 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.350 4.612 13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.050 5.261 15.139 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.004 5.262 16.900 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.723 5.627 16.969 1.00 0.00 H new ATOM 1582 N SER A 106 4.264 3.116 12.275 1.00 0.00 N ATOM 1583 CA SER A 106 5.399 3.898 12.751 1.00 0.00 C ATOM 1584 C SER A 106 6.571 3.802 11.778 1.00 0.00 C ATOM 1585 O SER A 106 7.056 4.813 11.271 1.00 0.00 O ATOM 1586 CB SER A 106 5.832 3.418 14.137 1.00 0.00 C ATOM 1587 OG SER A 106 6.592 4.410 14.806 1.00 0.00 O ATOM 0 H SER A 106 3.929 2.415 12.935 1.00 0.00 H new ATOM 0 HA SER A 106 5.088 4.941 12.817 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.952 3.168 14.730 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.422 2.506 14.042 1.00 0.00 H new ATOM 0 HG SER A 106 6.855 4.079 15.690 1.00 0.00 H new ATOM 1593 N ASP A 107 7.021 2.578 11.524 1.00 0.00 N ATOM 1594 CA ASP A 107 8.135 2.347 10.612 1.00 0.00 C ATOM 1595 C ASP A 107 7.721 2.618 9.169 1.00 0.00 C ATOM 1596 O ASP A 107 8.387 3.366 8.452 1.00 0.00 O ATOM 1597 CB ASP A 107 8.644 0.911 10.748 1.00 0.00 C ATOM 1598 CG ASP A 107 9.126 0.599 12.151 1.00 0.00 C ATOM 1599 OD1 ASP A 107 10.170 1.152 12.556 1.00 0.00 O ATOM 1600 OD2 ASP A 107 8.461 -0.200 12.843 1.00 0.00 O ATOM 0 H ASP A 107 6.631 1.731 11.937 1.00 0.00 H new ATOM 0 HA ASP A 107 8.938 3.035 10.876 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.846 0.219 10.478 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.459 0.749 10.042 1.00 0.00 H new ATOM 1605 N ILE A 108 6.620 2.005 8.749 1.00 0.00 N ATOM 1606 CA ILE A 108 6.118 2.181 7.392 1.00 0.00 C ATOM 1607 C ILE A 108 6.087 3.655 7.004 1.00 0.00 C ATOM 1608 O ILE A 108 6.379 4.014 5.863 1.00 0.00 O ATOM 1609 CB ILE A 108 4.704 1.590 7.233 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.708 0.101 7.585 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.197 1.804 5.815 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.342 -0.435 7.954 1.00 0.00 C ATOM 0 H ILE A 108 6.058 1.382 9.329 1.00 0.00 H new ATOM 0 HA ILE A 108 6.802 1.648 6.731 1.00 0.00 H new ATOM 0 HB ILE A 108 4.031 2.104 7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.094 -0.464 6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.392 -0.066 8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.197 1.381 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.162 2.872 5.598 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.868 1.313 5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.419 -1.496 8.192 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.962 0.104 8.822 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.659 -0.300 7.115 1.00 0.00 H new ATOM 1624 N VAL A 109 5.733 4.507 7.962 1.00 0.00 N ATOM 1625 CA VAL A 109 5.667 5.943 7.722 1.00 0.00 C ATOM 1626 C VAL A 109 7.056 6.570 7.751 1.00 0.00 C ATOM 1627 O VAL A 109 7.416 7.349 6.869 1.00 0.00 O ATOM 1628 CB VAL A 109 4.776 6.646 8.763 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.998 8.150 8.727 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.312 6.308 8.526 1.00 0.00 C ATOM 0 H VAL A 109 5.488 4.227 8.912 1.00 0.00 H new ATOM 0 HA VAL A 109 5.232 6.078 6.732 1.00 0.00 H new ATOM 0 HB VAL A 109 5.052 6.286 9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.360 8.630 9.469 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.042 8.369 8.950 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.751 8.531 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.697 6.813 9.271 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.019 6.638 7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.169 5.230 8.608 1.00 0.00 H new ATOM 1640 N SER A 110 7.834 6.224 8.772 1.00 0.00 N ATOM 1641 CA SER A 110 9.184 6.755 8.919 1.00 0.00 C ATOM 1642 C SER A 110 9.965 6.623 7.615 1.00 0.00 C ATOM 1643 O SER A 110 10.790 7.474 7.284 1.00 0.00 O ATOM 1644 CB SER A 110 9.921 6.026 10.045 1.00 0.00 C ATOM 1645 OG SER A 110 11.056 6.761 10.470 1.00 0.00 O ATOM 0 H SER A 110 7.552 5.578 9.510 1.00 0.00 H new ATOM 0 HA SER A 110 9.107 7.813 9.170 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.246 5.874 10.887 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.230 5.039 9.702 1.00 0.00 H new ATOM 0 HG SER A 110 11.509 6.276 11.191 1.00 0.00 H new ATOM 1651 N ARG A 111 9.697 5.549 6.879 1.00 0.00 N ATOM 1652 CA ARG A 111 10.375 5.304 5.612 1.00 0.00 C ATOM 1653 C ARG A 111 9.848 6.235 4.524 1.00 0.00 C ATOM 1654 O ARG A 111 10.620 6.911 3.844 1.00 0.00 O ATOM 1655 CB ARG A 111 10.190 3.847 5.184 1.00 0.00 C ATOM 1656 CG ARG A 111 10.638 3.569 3.758 1.00 0.00 C ATOM 1657 CD ARG A 111 12.150 3.441 3.664 1.00 0.00 C ATOM 1658 NE ARG A 111 12.566 2.755 2.444 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.818 2.379 2.202 1.00 0.00 C ATOM 1660 NH1 ARG A 111 14.770 2.623 3.092 1.00 0.00 N ATOM 1661 NH2 ARG A 111 14.118 1.759 1.068 1.00 0.00 N ATOM 0 H ARG A 111 9.016 4.835 7.138 1.00 0.00 H new ATOM 0 HA ARG A 111 11.437 5.503 5.753 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.749 3.204 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.138 3.579 5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.171 2.651 3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.299 4.373 3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.600 4.433 3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.522 2.896 4.531 1.00 0.00 H new ATOM 0 HE ARG A 111 11.857 2.553 1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.542 3.100 3.964 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.730 2.334 2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 111 13.388 1.571 0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.079 1.471 0.883 1.00 0.00 H new ATOM 1675 N ALA A 112 8.529 6.266 4.367 1.00 0.00 N ATOM 1676 CA ALA A 112 7.899 7.115 3.363 1.00 0.00 C ATOM 1677 C ALA A 112 8.491 8.520 3.383 1.00 0.00 C ATOM 1678 O ALA A 112 8.661 9.148 2.337 1.00 0.00 O ATOM 1679 CB ALA A 112 6.395 7.170 3.588 1.00 0.00 C ATOM 0 H ALA A 112 7.876 5.713 4.922 1.00 0.00 H new ATOM 0 HA ALA A 112 8.093 6.682 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.937 7.807 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.979 6.165 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.190 7.577 4.578 1.00 0.00 H new ATOM 1685 N LEU A 113 8.802 9.009 4.579 1.00 0.00 N ATOM 1686 CA LEU A 113 9.375 10.341 4.735 1.00 0.00 C ATOM 1687 C LEU A 113 10.761 10.416 4.102 1.00 0.00 C ATOM 1688 O LEU A 113 11.030 11.286 3.274 1.00 0.00 O ATOM 1689 CB LEU A 113 9.458 10.712 6.217 1.00 0.00 C ATOM 1690 CG LEU A 113 8.129 11.019 6.907 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.302 11.027 8.418 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.574 12.351 6.426 1.00 0.00 C ATOM 0 H LEU A 113 8.667 8.503 5.454 1.00 0.00 H new ATOM 0 HA LEU A 113 8.724 11.051 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.940 9.892 6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.106 11.583 6.317 1.00 0.00 H new ATOM 0 HG LEU A 113 7.417 10.236 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.346 11.247 8.893 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.655 10.050 8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.030 11.789 8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.628 12.553 6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.284 13.145 6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.412 12.310 5.349 1.00 0.00 H new ATOM 1704 N ASP A 114 11.635 9.496 4.495 1.00 0.00 N ATOM 1705 CA ASP A 114 12.993 9.456 3.963 1.00 0.00 C ATOM 1706 C ASP A 114 12.991 9.660 2.452 1.00 0.00 C ATOM 1707 O ASP A 114 13.895 10.288 1.898 1.00 0.00 O ATOM 1708 CB ASP A 114 13.659 8.123 4.309 1.00 0.00 C ATOM 1709 CG ASP A 114 15.078 8.031 3.784 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.769 9.071 3.757 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.497 6.919 3.400 1.00 0.00 O ATOM 0 H ASP A 114 11.428 8.768 5.179 1.00 0.00 H new ATOM 0 HA ASP A 114 13.560 10.267 4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.666 7.994 5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.068 7.306 3.895 1.00 0.00 H new ATOM 1716 N LEU A 115 11.971 9.126 1.789 1.00 0.00 N ATOM 1717 CA LEU A 115 11.852 9.249 0.340 1.00 0.00 C ATOM 1718 C LEU A 115 11.107 10.525 -0.038 1.00 0.00 C ATOM 1719 O LEU A 115 11.492 11.227 -0.974 1.00 0.00 O ATOM 1720 CB LEU A 115 11.127 8.032 -0.237 1.00 0.00 C ATOM 1721 CG LEU A 115 11.615 6.667 0.249 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.595 5.587 -0.078 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.965 6.333 -0.369 1.00 0.00 C ATOM 0 H LEU A 115 11.215 8.604 2.231 1.00 0.00 H new ATOM 0 HA LEU A 115 12.857 9.298 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.066 8.121 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.217 8.062 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 115 11.733 6.709 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.960 4.623 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.650 5.819 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.443 5.544 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.297 5.358 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.872 6.310 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.694 7.092 -0.083 1.00 0.00 H new ATOM 1735 N PHE A 116 10.040 10.822 0.696 1.00 0.00 N ATOM 1736 CA PHE A 116 9.242 12.015 0.438 1.00 0.00 C ATOM 1737 C PHE A 116 10.137 13.218 0.157 1.00 0.00 C ATOM 1738 O PHE A 116 9.803 14.077 -0.658 1.00 0.00 O ATOM 1739 CB PHE A 116 8.329 12.311 1.630 1.00 0.00 C ATOM 1740 CG PHE A 116 7.814 13.722 1.655 1.00 0.00 C ATOM 1741 CD1 PHE A 116 6.901 14.156 0.707 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.242 14.613 2.625 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.426 15.454 0.727 1.00 0.00 C ATOM 1744 CE2 PHE A 116 7.770 15.912 2.650 1.00 0.00 C ATOM 1745 CZ PHE A 116 6.860 16.332 1.700 1.00 0.00 C ATOM 0 H PHE A 116 9.708 10.253 1.474 1.00 0.00 H new ATOM 0 HA PHE A 116 8.628 11.828 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.483 11.624 1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.875 12.116 2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.557 13.473 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.953 14.289 3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.716 15.781 -0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.112 16.597 3.411 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.488 17.346 1.718 1.00 0.00 H new ATOM 1755 N SER A 117 11.277 13.272 0.840 1.00 0.00 N ATOM 1756 CA SER A 117 12.219 14.372 0.668 1.00 0.00 C ATOM 1757 C SER A 117 12.967 14.244 -0.655 1.00 0.00 C ATOM 1758 O SER A 117 13.040 15.194 -1.435 1.00 0.00 O ATOM 1759 CB SER A 117 13.214 14.405 1.829 1.00 0.00 C ATOM 1760 OG SER A 117 13.915 15.636 1.865 1.00 0.00 O ATOM 0 H SER A 117 11.570 12.567 1.517 1.00 0.00 H new ATOM 0 HA SER A 117 11.654 15.304 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.685 14.257 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.922 13.582 1.729 1.00 0.00 H new ATOM 0 HG SER A 117 14.543 15.633 2.617 1.00 0.00 H new ATOM 1766 N ASP A 118 13.523 13.062 -0.902 1.00 0.00 N ATOM 1767 CA ASP A 118 14.265 12.807 -2.130 1.00 0.00 C ATOM 1768 C ASP A 118 13.526 13.372 -3.339 1.00 0.00 C ATOM 1769 O ASP A 118 14.121 14.032 -4.190 1.00 0.00 O ATOM 1770 CB ASP A 118 14.493 11.306 -2.312 1.00 0.00 C ATOM 1771 CG ASP A 118 15.451 10.737 -1.283 1.00 0.00 C ATOM 1772 OD1 ASP A 118 15.628 11.372 -0.222 1.00 0.00 O ATOM 1773 OD2 ASP A 118 16.022 9.657 -1.538 1.00 0.00 O ATOM 0 H ASP A 118 13.473 12.265 -0.267 1.00 0.00 H new ATOM 0 HA ASP A 118 15.231 13.306 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.538 10.785 -2.242 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.885 11.120 -3.312 1.00 0.00 H new ATOM 1778 N ASN A 119 12.226 13.106 -3.408 1.00 0.00 N ATOM 1779 CA ASN A 119 11.405 13.586 -4.514 1.00 0.00 C ATOM 1780 C ASN A 119 10.698 14.886 -4.143 1.00 0.00 C ATOM 1781 O ASN A 119 11.084 15.965 -4.592 1.00 0.00 O ATOM 1782 CB ASN A 119 10.374 12.527 -4.909 1.00 0.00 C ATOM 1783 CG ASN A 119 9.945 11.671 -3.733 1.00 0.00 C ATOM 1784 OD1 ASN A 119 9.046 12.041 -2.977 1.00 0.00 O ATOM 1785 ND2 ASN A 119 10.587 10.520 -3.573 1.00 0.00 N ATOM 0 H ASN A 119 11.718 12.561 -2.711 1.00 0.00 H new ATOM 0 HA ASN A 119 12.061 13.779 -5.363 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.499 13.017 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 119 10.793 11.888 -5.686 1.00 0.00 H new ATOM 0 HD21 ASN A 119 10.341 9.902 -2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.326 10.253 -4.224 1.00 0.00 H new