USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 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 2 GLN : amide:sc= 1.06 X(o=-1.7,f=-1.3) USER MOD Set 1.2: A 99 HIS : no HE2:sc= -2.77 K(o=-1.7,f=-11!) USER MOD Single : A 6 THR OG1 : rot 44:sc= 1.42 USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -0.081 (180deg=-0.514) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.887! C(o=-0.89!,f=-6.5!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 24 MET CE :methyl -170:sc= -0.705 (180deg=-0.979) USER MOD Single : A 26 THR OG1 : rot -93:sc= -0.376 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -6.94! C(o=-6.9!,f=-11!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= 0.792 (180deg=0.262) USER MOD Single : A 55 SER OG : rot 49:sc= 0.403 USER MOD Single : A 60 SER OG : rot 109:sc= -0.933 USER MOD Single : A 61 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.5!) USER MOD Single : A 62 SER OG : rot 42:sc= 0.489 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.427 F(o=-1.4,f=-0.43) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= -0.0447 (180deg=-0.32) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -12:sc= 0.136 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 37:sc= 0.279 USER MOD Single : A 85 SER OG : rot 38:sc= 0.694 USER MOD Single : A 86 ASN :FLIP amide:sc= -1.26 F(o=-4.7!,f=-1.3) USER MOD Single : A 89 CYS SG : rot 8:sc= -0.657 USER MOD Single : A 94 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -6.004 11.723 2.007 1.00 0.00 N ATOM 21 CA GLN A 2 -6.266 10.250 2.083 1.00 0.00 C ATOM 22 C GLN A 2 -7.278 9.844 1.003 1.00 0.00 C ATOM 23 O GLN A 2 -8.481 9.929 1.203 1.00 0.00 O ATOM 24 CB GLN A 2 -6.816 9.904 3.473 1.00 0.00 C ATOM 25 CG GLN A 2 -8.007 10.817 3.808 1.00 0.00 C ATOM 26 CD GLN A 2 -7.740 11.552 5.123 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.820 12.763 5.183 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.425 10.864 6.185 1.00 0.00 N ATOM 0 HA GLN A 2 -5.336 9.706 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.128 8.860 3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.034 10.023 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.164 11.536 3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.919 10.226 3.889 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.358 9.848 6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.245 11.342 7.068 1.00 0.00 H new ATOM 37 N ASP A 3 -6.788 9.407 -0.140 1.00 0.00 N ATOM 38 CA ASP A 3 -7.690 8.982 -1.259 1.00 0.00 C ATOM 39 C ASP A 3 -7.080 7.772 -1.974 1.00 0.00 C ATOM 40 O ASP A 3 -6.066 7.243 -1.551 1.00 0.00 O ATOM 41 CB ASP A 3 -7.842 10.134 -2.259 1.00 0.00 C ATOM 42 CG ASP A 3 -8.258 11.407 -1.520 1.00 0.00 C ATOM 43 OD1 ASP A 3 -7.378 12.107 -1.046 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.449 11.661 -1.440 1.00 0.00 O ATOM 0 H ASP A 3 -5.792 9.327 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.667 8.716 -0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.902 10.298 -2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.588 9.879 -3.012 1.00 0.00 H new ATOM 49 N TRP A 4 -7.690 7.345 -3.063 1.00 0.00 N ATOM 50 CA TRP A 4 -7.157 6.175 -3.841 1.00 0.00 C ATOM 51 C TRP A 4 -5.691 6.445 -4.213 1.00 0.00 C ATOM 52 O TRP A 4 -4.809 5.685 -3.871 1.00 0.00 O ATOM 53 CB TRP A 4 -7.979 5.994 -5.134 1.00 0.00 C ATOM 54 CG TRP A 4 -8.314 4.544 -5.345 1.00 0.00 C ATOM 55 CD1 TRP A 4 -9.564 4.067 -5.545 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.428 3.383 -5.398 1.00 0.00 C ATOM 57 NE1 TRP A 4 -9.507 2.696 -5.696 1.00 0.00 N ATOM 58 CE2 TRP A 4 -8.214 2.224 -5.613 1.00 0.00 C ATOM 59 CE3 TRP A 4 -6.037 3.218 -5.276 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.640 0.954 -5.699 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -5.457 1.943 -5.364 1.00 0.00 C ATOM 62 CH2 TRP A 4 -6.258 0.813 -5.575 1.00 0.00 C ATOM 0 H TRP A 4 -8.539 7.761 -3.446 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.229 5.272 -3.234 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -8.896 6.580 -5.074 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.414 6.371 -5.987 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -10.463 4.664 -5.581 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -10.323 2.104 -5.850 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.409 4.081 -5.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -8.262 0.086 -5.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -4.387 1.832 -5.269 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -5.806 -0.166 -5.642 1.00 0.00 H new ATOM 73 N ALA A 5 -5.450 7.535 -4.911 1.00 0.00 N ATOM 74 CA ALA A 5 -4.063 7.918 -5.362 1.00 0.00 C ATOM 75 C ALA A 5 -3.015 7.668 -4.268 1.00 0.00 C ATOM 76 O ALA A 5 -1.963 7.104 -4.535 1.00 0.00 O ATOM 77 CB ALA A 5 -4.057 9.403 -5.735 1.00 0.00 C ATOM 0 H ALA A 5 -6.175 8.194 -5.195 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.802 7.300 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.058 9.692 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.769 9.578 -6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.340 9.998 -4.866 1.00 0.00 H new ATOM 83 N THR A 6 -3.297 8.077 -3.050 1.00 0.00 N ATOM 84 CA THR A 6 -2.329 7.869 -1.928 1.00 0.00 C ATOM 85 C THR A 6 -2.243 6.379 -1.618 1.00 0.00 C ATOM 86 O THR A 6 -1.164 5.838 -1.453 1.00 0.00 O ATOM 87 CB THR A 6 -2.797 8.630 -0.681 1.00 0.00 C ATOM 88 OG1 THR A 6 -4.214 8.572 -0.584 1.00 0.00 O ATOM 89 CG2 THR A 6 -2.353 10.089 -0.773 1.00 0.00 C ATOM 0 H THR A 6 -4.162 8.549 -2.787 1.00 0.00 H new ATOM 0 HA THR A 6 -1.348 8.244 -2.220 1.00 0.00 H new ATOM 0 HB THR A 6 -2.356 8.171 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.518 7.660 -0.773 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.687 10.627 0.114 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.266 10.135 -0.838 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.789 10.547 -1.661 1.00 0.00 H new ATOM 97 N PHE A 7 -3.380 5.724 -1.552 1.00 0.00 N ATOM 98 CA PHE A 7 -3.413 4.256 -1.264 1.00 0.00 C ATOM 99 C PHE A 7 -2.722 3.500 -2.406 1.00 0.00 C ATOM 100 O PHE A 7 -2.171 2.431 -2.201 1.00 0.00 O ATOM 101 CB PHE A 7 -4.874 3.807 -1.151 1.00 0.00 C ATOM 102 CG PHE A 7 -4.941 2.342 -0.787 1.00 0.00 C ATOM 103 CD1 PHE A 7 -4.579 1.920 0.499 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.372 1.409 -1.736 1.00 0.00 C ATOM 105 CE1 PHE A 7 -4.647 0.562 0.832 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.441 0.052 -1.402 1.00 0.00 C ATOM 107 CZ PHE A 7 -5.078 -0.372 -0.117 1.00 0.00 C ATOM 0 H PHE A 7 -4.296 6.151 -1.687 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.893 4.045 -0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.388 4.401 -0.395 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.389 3.979 -2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.248 2.641 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.652 1.736 -2.727 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.367 0.235 1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.774 -0.668 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.131 -1.419 0.141 1.00 0.00 H new ATOM 117 N LYS A 8 -2.748 4.056 -3.602 1.00 0.00 N ATOM 118 CA LYS A 8 -2.099 3.399 -4.778 1.00 0.00 C ATOM 119 C LYS A 8 -0.592 3.333 -4.543 1.00 0.00 C ATOM 120 O LYS A 8 0.018 2.284 -4.672 1.00 0.00 O ATOM 121 CB LYS A 8 -2.389 4.215 -6.042 1.00 0.00 C ATOM 122 CG LYS A 8 -1.830 3.487 -7.268 1.00 0.00 C ATOM 123 CD LYS A 8 -2.878 2.512 -7.814 1.00 0.00 C ATOM 124 CE LYS A 8 -3.629 3.160 -8.980 1.00 0.00 C ATOM 125 NZ LYS A 8 -2.718 3.299 -10.154 1.00 0.00 N ATOM 0 H LYS A 8 -3.198 4.948 -3.809 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.494 2.391 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.463 4.362 -6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.939 5.204 -5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.555 4.209 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.922 2.947 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.395 1.593 -8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.579 2.237 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.494 2.554 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.006 4.139 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.276 3.276 -11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.208 4.203 -10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.034 2.515 -10.158 1.00 0.00 H new ATOM 139 N LYS A 9 0.000 4.453 -4.188 1.00 0.00 N ATOM 140 CA LYS A 9 1.473 4.503 -3.925 1.00 0.00 C ATOM 141 C LYS A 9 1.779 3.917 -2.542 1.00 0.00 C ATOM 142 O LYS A 9 2.907 3.545 -2.260 1.00 0.00 O ATOM 143 CB LYS A 9 1.940 5.961 -3.959 1.00 0.00 C ATOM 144 CG LYS A 9 2.368 6.330 -5.379 1.00 0.00 C ATOM 145 CD LYS A 9 1.181 6.937 -6.128 1.00 0.00 C ATOM 146 CE LYS A 9 1.588 7.230 -7.572 1.00 0.00 C ATOM 147 NZ LYS A 9 0.780 8.369 -8.092 1.00 0.00 N ATOM 0 H LYS A 9 -0.483 5.343 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 9 1.992 3.922 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.136 6.619 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.772 6.103 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.194 7.041 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.728 5.445 -5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.335 6.250 -6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.857 7.854 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.650 7.471 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.433 6.347 -8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.055 8.570 -9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.230 8.122 -8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.950 9.211 -7.506 1.00 0.00 H new ATOM 161 N LYS A 10 0.788 3.865 -1.675 1.00 0.00 N ATOM 162 CA LYS A 10 0.996 3.345 -0.291 1.00 0.00 C ATOM 163 C LYS A 10 0.919 1.813 -0.224 1.00 0.00 C ATOM 164 O LYS A 10 1.809 1.181 0.319 1.00 0.00 O ATOM 165 CB LYS A 10 -0.074 3.945 0.627 1.00 0.00 C ATOM 166 CG LYS A 10 0.478 5.200 1.306 1.00 0.00 C ATOM 167 CD LYS A 10 -0.617 5.860 2.146 1.00 0.00 C ATOM 168 CE LYS A 10 0.002 6.951 3.020 1.00 0.00 C ATOM 169 NZ LYS A 10 0.086 8.221 2.244 1.00 0.00 N ATOM 0 H LYS A 10 -0.165 4.166 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 10 1.997 3.636 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.965 4.193 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.374 3.215 1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.326 4.939 1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.844 5.900 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.380 6.288 1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.111 5.115 2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.600 7.099 3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.996 6.648 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.507 8.964 2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.678 8.075 1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.868 8.512 1.950 1.00 0.00 H new ATOM 183 N HIS A 11 -0.154 1.218 -0.717 1.00 0.00 N ATOM 184 CA HIS A 11 -0.302 -0.277 -0.615 1.00 0.00 C ATOM 185 C HIS A 11 -0.440 -0.954 -1.986 1.00 0.00 C ATOM 186 O HIS A 11 -0.832 -2.111 -2.052 1.00 0.00 O ATOM 187 CB HIS A 11 -1.546 -0.589 0.224 1.00 0.00 C ATOM 188 CG HIS A 11 -1.201 -0.513 1.687 1.00 0.00 C ATOM 189 ND1 HIS A 11 -0.596 -1.564 2.360 1.00 0.00 N ATOM 190 CD2 HIS A 11 -1.376 0.479 2.621 1.00 0.00 C ATOM 191 CE1 HIS A 11 -0.430 -1.183 3.640 1.00 0.00 C ATOM 192 NE2 HIS A 11 -0.887 0.054 3.854 1.00 0.00 N ATOM 0 H HIS A 11 -0.925 1.699 -1.180 1.00 0.00 H new ATOM 0 HA HIS A 11 0.602 -0.669 -0.150 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.341 0.119 -0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.922 -1.583 -0.020 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.825 1.442 2.428 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.019 -1.803 4.402 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.879 0.575 4.731 1.00 0.00 H new ATOM 200 N LEU A 12 -0.128 -0.271 -3.070 1.00 0.00 N ATOM 201 CA LEU A 12 -0.256 -0.919 -4.421 1.00 0.00 C ATOM 202 C LEU A 12 0.974 -0.645 -5.284 1.00 0.00 C ATOM 203 O LEU A 12 1.567 0.419 -5.230 1.00 0.00 O ATOM 204 CB LEU A 12 -1.497 -0.393 -5.138 1.00 0.00 C ATOM 205 CG LEU A 12 -2.727 -1.201 -4.701 1.00 0.00 C ATOM 206 CD1 LEU A 12 -3.538 -0.393 -3.686 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.601 -1.508 -5.922 1.00 0.00 C ATOM 0 H LEU A 12 0.205 0.693 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.343 -1.995 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.642 0.662 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.365 -0.468 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.400 -2.135 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.411 -0.968 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.919 -0.177 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.863 0.542 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.474 -2.082 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.926 -0.574 -6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.026 -2.087 -6.645 1.00 0.00 H new ATOM 219 N THR A 13 1.333 -1.617 -6.089 1.00 0.00 N ATOM 220 CA THR A 13 2.507 -1.486 -7.008 1.00 0.00 C ATOM 221 C THR A 13 2.203 -2.241 -8.303 1.00 0.00 C ATOM 222 O THR A 13 1.361 -3.125 -8.323 1.00 0.00 O ATOM 223 CB THR A 13 3.749 -2.092 -6.348 1.00 0.00 C ATOM 224 OG1 THR A 13 3.399 -3.322 -5.728 1.00 0.00 O ATOM 225 CG2 THR A 13 4.301 -1.128 -5.298 1.00 0.00 C ATOM 0 H THR A 13 0.851 -2.514 -6.148 1.00 0.00 H new ATOM 0 HA THR A 13 2.693 -0.433 -7.222 1.00 0.00 H new ATOM 0 HB THR A 13 4.512 -2.268 -7.106 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.192 -3.713 -5.306 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.184 -1.565 -4.832 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.571 -0.186 -5.775 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.542 -0.945 -4.537 1.00 0.00 H new ATOM 233 N ASP A 14 2.885 -1.902 -9.378 1.00 0.00 N ATOM 234 CA ASP A 14 2.656 -2.594 -10.685 1.00 0.00 C ATOM 235 C ASP A 14 3.821 -3.551 -10.978 1.00 0.00 C ATOM 236 O ASP A 14 4.055 -3.921 -12.118 1.00 0.00 O ATOM 237 CB ASP A 14 2.545 -1.551 -11.802 1.00 0.00 C ATOM 238 CG ASP A 14 1.975 -2.209 -13.060 1.00 0.00 C ATOM 239 OD1 ASP A 14 0.764 -2.326 -13.146 1.00 0.00 O ATOM 240 OD2 ASP A 14 2.759 -2.581 -13.917 1.00 0.00 O ATOM 0 H ASP A 14 3.595 -1.170 -9.401 1.00 0.00 H new ATOM 0 HA ASP A 14 1.731 -3.168 -10.634 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.902 -0.730 -11.485 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.525 -1.124 -12.014 1.00 0.00 H new ATOM 245 N THR A 15 4.540 -3.957 -9.949 1.00 0.00 N ATOM 246 CA THR A 15 5.694 -4.897 -10.130 1.00 0.00 C ATOM 247 C THR A 15 6.108 -5.461 -8.770 1.00 0.00 C ATOM 248 O THR A 15 6.050 -4.772 -7.764 1.00 0.00 O ATOM 249 CB THR A 15 6.888 -4.158 -10.753 1.00 0.00 C ATOM 250 OG1 THR A 15 6.913 -2.810 -10.300 1.00 0.00 O ATOM 251 CG2 THR A 15 6.779 -4.184 -12.280 1.00 0.00 C ATOM 0 H THR A 15 4.371 -3.672 -8.984 1.00 0.00 H new ATOM 0 HA THR A 15 5.389 -5.707 -10.792 1.00 0.00 H new ATOM 0 HB THR A 15 7.809 -4.656 -10.450 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.677 -2.345 -10.699 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.629 -3.658 -12.714 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.776 -5.217 -12.627 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.854 -3.695 -12.587 1.00 0.00 H new ATOM 259 N TRP A 16 6.532 -6.708 -8.744 1.00 0.00 N ATOM 260 CA TRP A 16 6.968 -7.353 -7.467 1.00 0.00 C ATOM 261 C TRP A 16 8.237 -6.654 -6.972 1.00 0.00 C ATOM 262 O TRP A 16 8.443 -6.498 -5.780 1.00 0.00 O ATOM 263 CB TRP A 16 7.256 -8.837 -7.733 1.00 0.00 C ATOM 264 CG TRP A 16 7.676 -9.533 -6.471 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.139 -9.331 -5.242 1.00 0.00 C ATOM 266 CD2 TRP A 16 8.709 -10.545 -6.302 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.781 -10.154 -4.333 1.00 0.00 N ATOM 268 CE2 TRP A 16 8.756 -10.922 -4.940 1.00 0.00 C ATOM 269 CE3 TRP A 16 9.604 -11.166 -7.194 1.00 0.00 C ATOM 270 CZ2 TRP A 16 9.657 -11.883 -4.478 1.00 0.00 C ATOM 271 CZ3 TRP A 16 10.512 -12.132 -6.732 1.00 0.00 C ATOM 272 CH2 TRP A 16 10.539 -12.490 -5.377 1.00 0.00 C ATOM 0 H TRP A 16 6.593 -7.309 -9.566 1.00 0.00 H new ATOM 0 HA TRP A 16 6.188 -7.268 -6.710 1.00 0.00 H new ATOM 0 HB2 TRP A 16 6.366 -9.318 -8.140 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.041 -8.931 -8.484 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.341 -8.641 -5.011 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.561 -10.189 -3.338 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.592 -10.898 -8.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 9.673 -12.156 -3.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 11.194 -12.602 -7.425 1.00 0.00 H new ATOM 0 HH2 TRP A 16 11.240 -13.234 -5.028 1.00 0.00 H new ATOM 283 N ASP A 17 9.073 -6.230 -7.895 1.00 0.00 N ATOM 284 CA ASP A 17 10.340 -5.527 -7.527 1.00 0.00 C ATOM 285 C ASP A 17 10.106 -4.015 -7.593 1.00 0.00 C ATOM 286 O ASP A 17 10.129 -3.424 -8.662 1.00 0.00 O ATOM 287 CB ASP A 17 11.449 -5.930 -8.509 1.00 0.00 C ATOM 288 CG ASP A 17 12.462 -6.834 -7.803 1.00 0.00 C ATOM 289 OD1 ASP A 17 13.112 -6.358 -6.886 1.00 0.00 O ATOM 290 OD2 ASP A 17 12.572 -7.986 -8.190 1.00 0.00 O ATOM 0 H ASP A 17 8.926 -6.344 -8.898 1.00 0.00 H new ATOM 0 HA ASP A 17 10.642 -5.804 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.018 -6.450 -9.365 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.948 -5.040 -8.894 1.00 0.00 H new ATOM 295 N VAL A 18 9.877 -3.396 -6.454 1.00 0.00 N ATOM 296 CA VAL A 18 9.631 -1.923 -6.414 1.00 0.00 C ATOM 297 C VAL A 18 10.960 -1.191 -6.231 1.00 0.00 C ATOM 298 O VAL A 18 11.947 -1.775 -5.815 1.00 0.00 O ATOM 299 CB VAL A 18 8.690 -1.597 -5.249 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.394 -0.093 -5.221 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.381 -2.364 -5.437 1.00 0.00 C ATOM 0 H VAL A 18 9.851 -3.857 -5.545 1.00 0.00 H new ATOM 0 HA VAL A 18 9.171 -1.601 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 18 9.163 -1.886 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.725 0.131 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.326 0.459 -5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.921 0.202 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.705 -2.138 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.917 -2.067 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.586 -3.434 -5.455 1.00 0.00 H new ATOM 311 N ASP A 19 10.974 0.084 -6.544 1.00 0.00 N ATOM 312 CA ASP A 19 12.218 0.902 -6.407 1.00 0.00 C ATOM 313 C ASP A 19 12.085 1.836 -5.196 1.00 0.00 C ATOM 314 O ASP A 19 11.539 2.926 -5.293 1.00 0.00 O ATOM 315 CB ASP A 19 12.431 1.718 -7.686 1.00 0.00 C ATOM 316 CG ASP A 19 13.063 0.827 -8.759 1.00 0.00 C ATOM 317 OD1 ASP A 19 12.327 0.108 -9.414 1.00 0.00 O ATOM 318 OD2 ASP A 19 14.272 0.881 -8.908 1.00 0.00 O ATOM 0 H ASP A 19 10.164 0.597 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 19 13.077 0.248 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.479 2.114 -8.041 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.076 2.573 -7.482 1.00 0.00 H new ATOM 323 N CYS A 20 12.585 1.401 -4.058 1.00 0.00 N ATOM 324 CA CYS A 20 12.514 2.221 -2.807 1.00 0.00 C ATOM 325 C CYS A 20 13.237 3.555 -3.016 1.00 0.00 C ATOM 326 O CYS A 20 12.694 4.607 -2.740 1.00 0.00 O ATOM 327 CB CYS A 20 13.199 1.466 -1.667 1.00 0.00 C ATOM 328 SG CYS A 20 12.494 -0.196 -1.511 1.00 0.00 S ATOM 0 H CYS A 20 13.046 0.498 -3.945 1.00 0.00 H new ATOM 0 HA CYS A 20 11.468 2.405 -2.562 1.00 0.00 H new ATOM 0 HB2 CYS A 20 14.270 1.399 -1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 20 13.074 2.012 -0.732 1.00 0.00 H new ATOM 333 N ASP A 21 14.467 3.499 -3.481 1.00 0.00 N ATOM 334 CA ASP A 21 15.285 4.739 -3.694 1.00 0.00 C ATOM 335 C ASP A 21 14.649 5.689 -4.723 1.00 0.00 C ATOM 336 O ASP A 21 15.089 6.818 -4.856 1.00 0.00 O ATOM 337 CB ASP A 21 16.679 4.339 -4.179 1.00 0.00 C ATOM 338 CG ASP A 21 16.558 3.494 -5.449 1.00 0.00 C ATOM 339 OD1 ASP A 21 15.881 2.480 -5.401 1.00 0.00 O ATOM 340 OD2 ASP A 21 17.143 3.877 -6.449 1.00 0.00 O ATOM 0 H ASP A 21 14.945 2.632 -3.725 1.00 0.00 H new ATOM 0 HA ASP A 21 15.338 5.269 -2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.275 5.230 -4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.197 3.775 -3.403 1.00 0.00 H new ATOM 345 N ASN A 22 13.645 5.248 -5.460 1.00 0.00 N ATOM 346 CA ASN A 22 13.005 6.140 -6.487 1.00 0.00 C ATOM 347 C ASN A 22 11.636 6.641 -6.004 1.00 0.00 C ATOM 348 O ASN A 22 11.175 7.689 -6.427 1.00 0.00 O ATOM 349 CB ASN A 22 12.822 5.364 -7.792 1.00 0.00 C ATOM 350 CG ASN A 22 12.434 6.334 -8.912 1.00 0.00 C ATOM 351 OD1 ASN A 22 11.267 6.585 -9.139 1.00 0.00 O ATOM 352 ND2 ASN A 22 13.372 6.894 -9.626 1.00 0.00 N ATOM 0 H ASN A 22 13.245 4.312 -5.393 1.00 0.00 H new ATOM 0 HA ASN A 22 13.655 7.000 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.744 4.843 -8.050 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.050 4.604 -7.671 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.125 7.542 -10.374 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.352 6.684 -9.436 1.00 0.00 H new ATOM 359 N LEU A 23 10.972 5.878 -5.159 1.00 0.00 N ATOM 360 CA LEU A 23 9.610 6.257 -4.669 1.00 0.00 C ATOM 361 C LEU A 23 9.666 6.811 -3.234 1.00 0.00 C ATOM 362 O LEU A 23 9.045 7.820 -2.937 1.00 0.00 O ATOM 363 CB LEU A 23 8.736 4.984 -4.740 1.00 0.00 C ATOM 364 CG LEU A 23 7.428 5.145 -3.957 1.00 0.00 C ATOM 365 CD1 LEU A 23 6.574 6.243 -4.595 1.00 0.00 C ATOM 366 CD2 LEU A 23 6.661 3.820 -3.984 1.00 0.00 C ATOM 0 H LEU A 23 11.326 4.997 -4.786 1.00 0.00 H new ATOM 0 HA LEU A 23 9.188 7.050 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.510 4.756 -5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.295 4.137 -4.343 1.00 0.00 H new ATOM 0 HG LEU A 23 7.652 5.421 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.646 6.353 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.122 7.185 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.346 5.973 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.729 3.928 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.439 3.549 -5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.268 3.039 -3.526 1.00 0.00 H new ATOM 378 N MET A 24 10.357 6.133 -2.348 1.00 0.00 N ATOM 379 CA MET A 24 10.416 6.569 -0.916 1.00 0.00 C ATOM 380 C MET A 24 11.038 7.971 -0.744 1.00 0.00 C ATOM 381 O MET A 24 10.435 8.796 -0.092 1.00 0.00 O ATOM 382 CB MET A 24 11.199 5.542 -0.102 1.00 0.00 C ATOM 383 CG MET A 24 10.255 4.415 0.322 1.00 0.00 C ATOM 384 SD MET A 24 9.240 4.968 1.716 1.00 0.00 S ATOM 385 CE MET A 24 8.886 3.329 2.393 1.00 0.00 C ATOM 0 H MET A 24 10.888 5.288 -2.558 1.00 0.00 H new ATOM 0 HA MET A 24 9.391 6.634 -0.552 1.00 0.00 H new ATOM 0 HB2 MET A 24 12.022 5.141 -0.694 1.00 0.00 H new ATOM 0 HB3 MET A 24 11.639 6.014 0.776 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.617 4.127 -0.514 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.829 3.532 0.604 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.122 3.412 3.166 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.528 2.676 1.597 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.795 2.910 2.825 1.00 0.00 H new ATOM 395 N PRO A 25 12.221 8.217 -1.298 1.00 0.00 N ATOM 396 CA PRO A 25 12.899 9.529 -1.147 1.00 0.00 C ATOM 397 C PRO A 25 12.236 10.630 -1.989 1.00 0.00 C ATOM 398 O PRO A 25 12.659 11.773 -1.935 1.00 0.00 O ATOM 399 CB PRO A 25 14.325 9.262 -1.627 1.00 0.00 C ATOM 400 CG PRO A 25 14.246 8.023 -2.540 1.00 0.00 C ATOM 401 CD PRO A 25 12.986 7.249 -2.119 1.00 0.00 C ATOM 0 HA PRO A 25 12.851 9.893 -0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.720 10.121 -2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.992 9.083 -0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.189 8.317 -3.588 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.136 7.404 -2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.412 6.921 -2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.240 6.356 -1.548 1.00 0.00 H new ATOM 409 N THR A 26 11.211 10.303 -2.754 1.00 0.00 N ATOM 410 CA THR A 26 10.526 11.341 -3.589 1.00 0.00 C ATOM 411 C THR A 26 9.805 12.328 -2.666 1.00 0.00 C ATOM 412 O THR A 26 9.944 12.273 -1.454 1.00 0.00 O ATOM 413 CB THR A 26 9.502 10.685 -4.535 1.00 0.00 C ATOM 414 OG1 THR A 26 9.862 9.331 -4.790 1.00 0.00 O ATOM 415 CG2 THR A 26 9.457 11.450 -5.862 1.00 0.00 C ATOM 0 H THR A 26 10.824 9.363 -2.832 1.00 0.00 H new ATOM 0 HA THR A 26 11.271 11.862 -4.189 1.00 0.00 H new ATOM 0 HB THR A 26 8.522 10.713 -4.059 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.405 9.285 -5.605 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.731 10.982 -6.527 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.165 12.484 -5.676 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.442 11.429 -6.328 1.00 0.00 H new ATOM 423 N SER A 27 9.036 13.225 -3.239 1.00 0.00 N ATOM 424 CA SER A 27 8.282 14.235 -2.430 1.00 0.00 C ATOM 425 C SER A 27 6.992 13.610 -1.883 1.00 0.00 C ATOM 426 O SER A 27 6.439 14.088 -0.905 1.00 0.00 O ATOM 427 CB SER A 27 7.933 15.437 -3.309 1.00 0.00 C ATOM 428 OG SER A 27 9.133 16.047 -3.766 1.00 0.00 O ATOM 0 H SER A 27 8.898 13.300 -4.247 1.00 0.00 H new ATOM 0 HA SER A 27 8.904 14.560 -1.596 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.327 15.118 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.338 16.155 -2.744 1.00 0.00 H new ATOM 0 HG SER A 27 8.914 16.817 -4.331 1.00 0.00 H new ATOM 434 N LEU A 28 6.518 12.548 -2.507 1.00 0.00 N ATOM 435 CA LEU A 28 5.267 11.871 -2.045 1.00 0.00 C ATOM 436 C LEU A 28 5.560 11.106 -0.755 1.00 0.00 C ATOM 437 O LEU A 28 4.761 11.101 0.167 1.00 0.00 O ATOM 438 CB LEU A 28 4.795 10.890 -3.127 1.00 0.00 C ATOM 439 CG LEU A 28 3.481 10.220 -2.696 1.00 0.00 C ATOM 440 CD1 LEU A 28 2.303 10.899 -3.396 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.510 8.740 -3.083 1.00 0.00 C ATOM 0 H LEU A 28 6.954 12.122 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 28 4.489 12.612 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.651 11.418 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.559 10.132 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 28 3.368 10.315 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.373 10.422 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.277 11.954 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.419 10.806 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.578 8.266 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.626 8.649 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.347 8.250 -2.585 1.00 0.00 H new ATOM 453 N PHE A 29 6.704 10.459 -0.700 1.00 0.00 N ATOM 454 CA PHE A 29 7.090 9.674 0.510 1.00 0.00 C ATOM 455 C PHE A 29 8.056 10.496 1.379 1.00 0.00 C ATOM 456 O PHE A 29 8.121 10.309 2.582 1.00 0.00 O ATOM 457 CB PHE A 29 7.753 8.365 0.066 1.00 0.00 C ATOM 458 CG PHE A 29 6.706 7.278 -0.025 1.00 0.00 C ATOM 459 CD1 PHE A 29 6.340 6.558 1.120 1.00 0.00 C ATOM 460 CD2 PHE A 29 6.097 6.995 -1.254 1.00 0.00 C ATOM 461 CE1 PHE A 29 5.366 5.557 1.034 1.00 0.00 C ATOM 462 CE2 PHE A 29 5.124 5.992 -1.339 1.00 0.00 C ATOM 463 CZ PHE A 29 4.758 5.274 -0.194 1.00 0.00 C ATOM 0 H PHE A 29 7.391 10.444 -1.454 1.00 0.00 H new ATOM 0 HA PHE A 29 6.203 9.446 1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.238 8.500 -0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.530 8.079 0.775 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.809 6.775 2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.378 7.551 -2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.083 5.002 1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.656 5.772 -2.287 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.006 4.501 -0.259 1.00 0.00 H new ATOM 473 N ASP A 30 8.790 11.413 0.774 1.00 0.00 N ATOM 474 CA ASP A 30 9.751 12.281 1.542 1.00 0.00 C ATOM 475 C ASP A 30 10.704 11.415 2.389 1.00 0.00 C ATOM 476 O ASP A 30 11.129 11.807 3.467 1.00 0.00 O ATOM 477 CB ASP A 30 8.955 13.230 2.447 1.00 0.00 C ATOM 478 CG ASP A 30 9.776 14.495 2.705 1.00 0.00 C ATOM 479 OD1 ASP A 30 10.923 14.363 3.099 1.00 0.00 O ATOM 480 OD2 ASP A 30 9.244 15.575 2.504 1.00 0.00 O ATOM 0 H ASP A 30 8.762 11.597 -0.229 1.00 0.00 H new ATOM 0 HA ASP A 30 10.352 12.860 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.006 13.489 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.719 12.738 3.390 1.00 0.00 H new ATOM 485 N CYS A 31 11.040 10.246 1.895 1.00 0.00 N ATOM 486 CA CYS A 31 11.962 9.321 2.626 1.00 0.00 C ATOM 487 C CYS A 31 11.338 8.946 3.981 1.00 0.00 C ATOM 488 O CYS A 31 11.799 9.356 5.040 1.00 0.00 O ATOM 489 CB CYS A 31 13.329 10.001 2.816 1.00 0.00 C ATOM 490 SG CYS A 31 14.630 8.939 2.134 1.00 0.00 S ATOM 0 H CYS A 31 10.707 9.889 0.999 1.00 0.00 H new ATOM 0 HA CYS A 31 12.111 8.408 2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.338 10.971 2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.512 10.185 3.875 1.00 0.00 H new ATOM 495 N LYS A 32 10.280 8.165 3.939 1.00 0.00 N ATOM 496 CA LYS A 32 9.583 7.732 5.191 1.00 0.00 C ATOM 497 C LYS A 32 10.360 6.581 5.841 1.00 0.00 C ATOM 498 O LYS A 32 11.459 6.254 5.423 1.00 0.00 O ATOM 499 CB LYS A 32 8.167 7.264 4.840 1.00 0.00 C ATOM 500 CG LYS A 32 7.171 8.399 5.093 1.00 0.00 C ATOM 501 CD LYS A 32 6.716 8.371 6.556 1.00 0.00 C ATOM 502 CE LYS A 32 5.345 7.700 6.658 1.00 0.00 C ATOM 503 NZ LYS A 32 5.146 7.183 8.041 1.00 0.00 N ATOM 0 H LYS A 32 9.867 7.806 3.078 1.00 0.00 H new ATOM 0 HA LYS A 32 9.531 8.567 5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.124 6.956 3.795 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.902 6.394 5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.633 9.359 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.310 8.294 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.442 7.830 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.665 9.386 6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.560 8.414 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.274 6.884 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.214 6.727 8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.888 6.489 8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.197 7.972 8.717 1.00 0.00 H new ATOM 517 N ASP A 33 9.788 5.975 6.862 1.00 0.00 N ATOM 518 CA ASP A 33 10.466 4.841 7.571 1.00 0.00 C ATOM 519 C ASP A 33 10.381 3.570 6.721 1.00 0.00 C ATOM 520 O ASP A 33 11.393 3.045 6.283 1.00 0.00 O ATOM 521 CB ASP A 33 9.777 4.595 8.915 1.00 0.00 C ATOM 522 CG ASP A 33 10.695 3.764 9.812 1.00 0.00 C ATOM 523 OD1 ASP A 33 11.630 4.330 10.356 1.00 0.00 O ATOM 524 OD2 ASP A 33 10.447 2.577 9.943 1.00 0.00 O ATOM 0 H ASP A 33 8.872 6.223 7.235 1.00 0.00 H new ATOM 0 HA ASP A 33 11.513 5.097 7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.543 5.545 9.396 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.832 4.074 8.762 1.00 0.00 H new ATOM 529 N LYS A 34 9.183 3.073 6.495 1.00 0.00 N ATOM 530 CA LYS A 34 9.010 1.831 5.675 1.00 0.00 C ATOM 531 C LYS A 34 7.562 1.719 5.187 1.00 0.00 C ATOM 532 O LYS A 34 6.648 2.217 5.824 1.00 0.00 O ATOM 533 CB LYS A 34 9.363 0.605 6.529 1.00 0.00 C ATOM 534 CG LYS A 34 8.450 0.545 7.765 1.00 0.00 C ATOM 535 CD LYS A 34 9.284 0.270 9.023 1.00 0.00 C ATOM 536 CE LYS A 34 9.153 -1.202 9.422 1.00 0.00 C ATOM 537 NZ LYS A 34 10.019 -1.475 10.604 1.00 0.00 N ATOM 0 H LYS A 34 8.315 3.478 6.846 1.00 0.00 H new ATOM 0 HA LYS A 34 9.671 1.878 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.250 -0.304 5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.407 0.656 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.911 1.486 7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.702 -0.237 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.330 0.514 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.948 0.909 9.840 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.114 -1.435 9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.443 -1.843 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.930 -2.475 10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.009 -1.268 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.722 -0.873 11.398 1.00 0.00 H new ATOM 551 N ASN A 35 7.357 1.053 4.067 1.00 0.00 N ATOM 552 CA ASN A 35 5.976 0.876 3.519 1.00 0.00 C ATOM 553 C ASN A 35 5.848 -0.528 2.913 1.00 0.00 C ATOM 554 O ASN A 35 6.784 -1.047 2.330 1.00 0.00 O ATOM 555 CB ASN A 35 5.702 1.934 2.436 1.00 0.00 C ATOM 556 CG ASN A 35 4.300 1.720 1.844 1.00 0.00 C ATOM 557 OD1 ASN A 35 4.018 0.676 1.295 1.00 0.00 O ATOM 558 ND2 ASN A 35 3.405 2.665 1.933 1.00 0.00 N ATOM 0 H ASN A 35 8.096 0.624 3.510 1.00 0.00 H new ATOM 0 HA ASN A 35 5.250 0.996 4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.778 2.934 2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.453 1.866 1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.474 2.524 1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.637 3.545 2.394 1.00 0.00 H new ATOM 565 N THR A 36 4.680 -1.119 3.039 1.00 0.00 N ATOM 566 CA THR A 36 4.430 -2.477 2.467 1.00 0.00 C ATOM 567 C THR A 36 3.477 -2.330 1.280 1.00 0.00 C ATOM 568 O THR A 36 2.355 -1.874 1.439 1.00 0.00 O ATOM 569 CB THR A 36 3.790 -3.374 3.531 1.00 0.00 C ATOM 570 OG1 THR A 36 4.447 -3.172 4.774 1.00 0.00 O ATOM 571 CG2 THR A 36 3.923 -4.840 3.113 1.00 0.00 C ATOM 0 H THR A 36 3.881 -0.709 3.522 1.00 0.00 H new ATOM 0 HA THR A 36 5.368 -2.927 2.144 1.00 0.00 H new ATOM 0 HB THR A 36 2.734 -3.123 3.632 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.038 -3.744 5.457 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.467 -5.477 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.419 -4.993 2.159 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.978 -5.095 3.011 1.00 0.00 H new ATOM 579 N PHE A 37 3.921 -2.704 0.098 1.00 0.00 N ATOM 580 CA PHE A 37 3.057 -2.582 -1.118 1.00 0.00 C ATOM 581 C PHE A 37 2.385 -3.925 -1.409 1.00 0.00 C ATOM 582 O PHE A 37 2.791 -4.956 -0.896 1.00 0.00 O ATOM 583 CB PHE A 37 3.907 -2.177 -2.327 1.00 0.00 C ATOM 584 CG PHE A 37 4.710 -0.936 -2.010 1.00 0.00 C ATOM 585 CD1 PHE A 37 4.074 0.208 -1.511 1.00 0.00 C ATOM 586 CD2 PHE A 37 6.095 -0.927 -2.223 1.00 0.00 C ATOM 587 CE1 PHE A 37 4.822 1.358 -1.224 1.00 0.00 C ATOM 588 CE2 PHE A 37 6.841 0.222 -1.937 1.00 0.00 C ATOM 589 CZ PHE A 37 6.205 1.364 -1.437 1.00 0.00 C ATOM 0 H PHE A 37 4.850 -3.090 -0.073 1.00 0.00 H new ATOM 0 HA PHE A 37 2.299 -1.821 -0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.577 -2.993 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.264 -1.993 -3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.006 0.204 -1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.587 -1.808 -2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.331 2.239 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.908 0.227 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.782 2.250 -1.216 1.00 0.00 H new ATOM 599 N ILE A 38 1.361 -3.906 -2.234 1.00 0.00 N ATOM 600 CA ILE A 38 0.625 -5.156 -2.597 1.00 0.00 C ATOM 601 C ILE A 38 0.724 -5.372 -4.106 1.00 0.00 C ATOM 602 O ILE A 38 0.648 -4.427 -4.877 1.00 0.00 O ATOM 603 CB ILE A 38 -0.850 -5.007 -2.201 1.00 0.00 C ATOM 604 CG1 ILE A 38 -0.957 -4.643 -0.710 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.590 -6.320 -2.468 1.00 0.00 C ATOM 606 CD1 ILE A 38 -0.330 -5.744 0.156 1.00 0.00 C ATOM 0 H ILE A 38 1.001 -3.061 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 38 1.060 -6.007 -2.073 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.302 -4.212 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.454 -3.694 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.003 -4.508 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.637 -6.211 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.523 -6.566 -3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.137 -7.119 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.414 -5.471 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.852 -6.685 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.722 -5.859 -0.106 1.00 0.00 H new ATOM 618 N TYR A 39 0.891 -6.608 -4.526 1.00 0.00 N ATOM 619 CA TYR A 39 0.996 -6.912 -5.988 1.00 0.00 C ATOM 620 C TYR A 39 -0.381 -7.354 -6.506 1.00 0.00 C ATOM 621 O TYR A 39 -0.696 -8.535 -6.551 1.00 0.00 O ATOM 622 CB TYR A 39 2.033 -8.021 -6.216 1.00 0.00 C ATOM 623 CG TYR A 39 2.194 -8.263 -7.701 1.00 0.00 C ATOM 624 CD1 TYR A 39 2.772 -7.281 -8.517 1.00 0.00 C ATOM 625 CD2 TYR A 39 1.758 -9.470 -8.262 1.00 0.00 C ATOM 626 CE1 TYR A 39 2.915 -7.509 -9.893 1.00 0.00 C ATOM 627 CE2 TYR A 39 1.902 -9.696 -9.637 1.00 0.00 C ATOM 628 CZ TYR A 39 2.480 -8.716 -10.452 1.00 0.00 C ATOM 629 OH TYR A 39 2.622 -8.941 -11.806 1.00 0.00 O ATOM 0 H TYR A 39 0.959 -7.421 -3.913 1.00 0.00 H new ATOM 0 HA TYR A 39 1.317 -6.022 -6.529 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.989 -7.735 -5.777 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.716 -8.938 -5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.107 -6.349 -8.086 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.311 -10.227 -7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.361 -6.753 -10.522 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.567 -10.627 -10.069 1.00 0.00 H new ATOM 0 HH TYR A 39 2.270 -9.828 -12.029 1.00 0.00 H new ATOM 639 N SER A 40 -1.196 -6.396 -6.894 1.00 0.00 N ATOM 640 CA SER A 40 -2.563 -6.706 -7.417 1.00 0.00 C ATOM 641 C SER A 40 -2.973 -5.634 -8.430 1.00 0.00 C ATOM 642 O SER A 40 -2.342 -4.592 -8.528 1.00 0.00 O ATOM 643 CB SER A 40 -3.563 -6.724 -6.261 1.00 0.00 C ATOM 644 OG SER A 40 -4.688 -7.514 -6.625 1.00 0.00 O ATOM 0 H SER A 40 -0.966 -5.403 -6.869 1.00 0.00 H new ATOM 0 HA SER A 40 -2.554 -7.683 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.093 -7.130 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.879 -5.708 -6.023 1.00 0.00 H new ATOM 0 HG SER A 40 -5.330 -7.529 -5.885 1.00 0.00 H new ATOM 650 N LEU A 41 -4.025 -5.888 -9.181 1.00 0.00 N ATOM 651 CA LEU A 41 -4.504 -4.902 -10.200 1.00 0.00 C ATOM 652 C LEU A 41 -5.578 -3.993 -9.577 1.00 0.00 C ATOM 653 O LEU A 41 -6.242 -4.402 -8.642 1.00 0.00 O ATOM 654 CB LEU A 41 -5.108 -5.650 -11.390 1.00 0.00 C ATOM 655 CG LEU A 41 -3.999 -6.353 -12.174 1.00 0.00 C ATOM 656 CD1 LEU A 41 -4.623 -7.375 -13.126 1.00 0.00 C ATOM 657 CD2 LEU A 41 -3.213 -5.320 -12.983 1.00 0.00 C ATOM 0 H LEU A 41 -4.574 -6.746 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.663 -4.295 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.838 -6.380 -11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.639 -4.953 -12.038 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.327 -6.860 -11.481 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.835 -7.878 -13.687 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.186 -8.111 -12.552 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.293 -6.865 -13.819 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.422 -5.821 -13.542 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.884 -4.814 -13.677 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.772 -4.588 -12.307 1.00 0.00 H new ATOM 669 N PRO A 42 -5.733 -2.789 -10.114 1.00 0.00 N ATOM 670 CA PRO A 42 -6.735 -1.822 -9.612 1.00 0.00 C ATOM 671 C PRO A 42 -8.152 -2.213 -10.062 1.00 0.00 C ATOM 672 O PRO A 42 -9.128 -1.685 -9.553 1.00 0.00 O ATOM 673 CB PRO A 42 -6.302 -0.491 -10.235 1.00 0.00 C ATOM 674 CG PRO A 42 -5.445 -0.841 -11.472 1.00 0.00 C ATOM 675 CD PRO A 42 -4.942 -2.280 -11.265 1.00 0.00 C ATOM 0 HA PRO A 42 -6.775 -1.781 -8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.170 0.104 -10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.729 0.102 -9.522 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.034 -0.764 -12.386 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.609 -0.149 -11.573 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.101 -2.888 -12.156 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.873 -2.300 -11.052 1.00 0.00 H new ATOM 683 N GLY A 43 -8.267 -3.133 -11.004 1.00 0.00 N ATOM 684 CA GLY A 43 -9.611 -3.573 -11.495 1.00 0.00 C ATOM 685 C GLY A 43 -10.289 -4.469 -10.443 1.00 0.00 C ATOM 686 O GLY A 43 -11.375 -4.149 -9.993 1.00 0.00 O ATOM 0 H GLY A 43 -7.477 -3.597 -11.452 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.235 -2.703 -11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.504 -4.117 -12.433 1.00 0.00 H new ATOM 690 N PRO A 44 -9.643 -5.576 -10.081 1.00 0.00 N ATOM 691 CA PRO A 44 -10.194 -6.524 -9.088 1.00 0.00 C ATOM 692 C PRO A 44 -10.089 -5.963 -7.664 1.00 0.00 C ATOM 693 O PRO A 44 -10.857 -6.341 -6.794 1.00 0.00 O ATOM 694 CB PRO A 44 -9.333 -7.778 -9.257 1.00 0.00 C ATOM 695 CG PRO A 44 -8.012 -7.319 -9.913 1.00 0.00 C ATOM 696 CD PRO A 44 -8.315 -5.982 -10.614 1.00 0.00 C ATOM 0 HA PRO A 44 -11.255 -6.722 -9.243 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.144 -8.251 -8.293 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.840 -8.515 -9.880 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.229 -7.196 -9.165 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.656 -8.060 -10.628 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.553 -5.235 -10.392 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.341 -6.099 -11.697 1.00 0.00 H new ATOM 704 N VAL A 45 -9.158 -5.058 -7.428 1.00 0.00 N ATOM 705 CA VAL A 45 -9.007 -4.451 -6.065 1.00 0.00 C ATOM 706 C VAL A 45 -10.116 -3.416 -5.887 1.00 0.00 C ATOM 707 O VAL A 45 -10.819 -3.415 -4.888 1.00 0.00 O ATOM 708 CB VAL A 45 -7.623 -3.792 -5.937 1.00 0.00 C ATOM 709 CG1 VAL A 45 -7.511 -3.042 -4.602 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.543 -4.876 -5.985 1.00 0.00 C ATOM 0 H VAL A 45 -8.497 -4.716 -8.125 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.087 -5.215 -5.292 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.491 -3.087 -6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.526 -2.581 -4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.278 -2.269 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.649 -3.743 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.560 -4.414 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.692 -5.575 -5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.607 -5.411 -6.932 1.00 0.00 H new ATOM 720 N LYS A 46 -10.280 -2.555 -6.865 1.00 0.00 N ATOM 721 CA LYS A 46 -11.352 -1.516 -6.804 1.00 0.00 C ATOM 722 C LYS A 46 -12.716 -2.213 -6.808 1.00 0.00 C ATOM 723 O LYS A 46 -13.687 -1.684 -6.293 1.00 0.00 O ATOM 724 CB LYS A 46 -11.237 -0.589 -8.020 1.00 0.00 C ATOM 725 CG LYS A 46 -12.287 0.523 -7.923 1.00 0.00 C ATOM 726 CD LYS A 46 -11.907 1.673 -8.861 1.00 0.00 C ATOM 727 CE LYS A 46 -12.309 3.013 -8.233 1.00 0.00 C ATOM 728 NZ LYS A 46 -13.366 3.655 -9.065 1.00 0.00 N ATOM 0 H LYS A 46 -9.709 -2.530 -7.710 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.246 -0.923 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.238 -0.156 -8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.380 -1.158 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.270 0.133 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.355 0.885 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.834 1.658 -9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.404 1.549 -9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.675 2.856 -7.218 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.441 3.668 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.279 4.689 -8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.254 3.361 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -14.303 3.364 -8.721 1.00 0.00 H new ATOM 742 N ALA A 47 -12.786 -3.403 -7.384 1.00 0.00 N ATOM 743 CA ALA A 47 -14.076 -4.167 -7.431 1.00 0.00 C ATOM 744 C ALA A 47 -14.598 -4.374 -6.006 1.00 0.00 C ATOM 745 O ALA A 47 -15.797 -4.405 -5.777 1.00 0.00 O ATOM 746 CB ALA A 47 -13.832 -5.531 -8.080 1.00 0.00 C ATOM 0 H ALA A 47 -11.996 -3.874 -7.824 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.809 -3.608 -8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.767 -6.089 -8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.455 -5.390 -9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.100 -6.087 -7.494 1.00 0.00 H new ATOM 752 N LEU A 48 -13.695 -4.515 -5.058 1.00 0.00 N ATOM 753 CA LEU A 48 -14.095 -4.721 -3.631 1.00 0.00 C ATOM 754 C LEU A 48 -14.813 -3.475 -3.114 1.00 0.00 C ATOM 755 O LEU A 48 -15.715 -3.565 -2.297 1.00 0.00 O ATOM 756 CB LEU A 48 -12.845 -4.967 -2.784 1.00 0.00 C ATOM 757 CG LEU A 48 -12.246 -6.327 -3.138 1.00 0.00 C ATOM 758 CD1 LEU A 48 -10.746 -6.319 -2.835 1.00 0.00 C ATOM 759 CD2 LEU A 48 -12.927 -7.413 -2.304 1.00 0.00 C ATOM 0 H LEU A 48 -12.688 -4.495 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.762 -5.581 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.113 -4.179 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.099 -4.935 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.401 -6.528 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.319 -7.289 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.260 -5.543 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.590 -6.119 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.501 -8.385 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.770 -7.210 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.996 -7.419 -2.518 1.00 0.00 H new ATOM 771 N CYS A 49 -14.402 -2.318 -3.581 1.00 0.00 N ATOM 772 CA CYS A 49 -15.026 -1.034 -3.133 1.00 0.00 C ATOM 773 C CYS A 49 -16.334 -0.772 -3.890 1.00 0.00 C ATOM 774 O CYS A 49 -17.128 0.055 -3.474 1.00 0.00 O ATOM 775 CB CYS A 49 -14.051 0.111 -3.389 1.00 0.00 C ATOM 776 SG CYS A 49 -12.920 0.261 -1.985 1.00 0.00 S ATOM 0 H CYS A 49 -13.651 -2.210 -4.262 1.00 0.00 H new ATOM 0 HA CYS A 49 -15.251 -1.104 -2.069 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.489 -0.073 -4.305 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.597 1.043 -3.532 1.00 0.00 H new ATOM 781 N ARG A 50 -16.564 -1.464 -4.994 1.00 0.00 N ATOM 782 CA ARG A 50 -17.823 -1.256 -5.784 1.00 0.00 C ATOM 783 C ARG A 50 -19.039 -1.525 -4.884 1.00 0.00 C ATOM 784 O ARG A 50 -19.446 -2.662 -4.701 1.00 0.00 O ATOM 785 CB ARG A 50 -17.837 -2.216 -6.985 1.00 0.00 C ATOM 786 CG ARG A 50 -17.729 -1.423 -8.290 1.00 0.00 C ATOM 787 CD ARG A 50 -17.673 -2.396 -9.470 1.00 0.00 C ATOM 788 NE ARG A 50 -16.251 -2.702 -9.795 1.00 0.00 N ATOM 789 CZ ARG A 50 -15.940 -3.838 -10.356 1.00 0.00 C ATOM 790 NH1 ARG A 50 -16.435 -4.953 -9.891 1.00 0.00 N ATOM 791 NH2 ARG A 50 -15.127 -3.860 -11.378 1.00 0.00 N ATOM 0 H ARG A 50 -15.929 -2.164 -5.378 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.865 -0.229 -6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -17.008 -2.920 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -18.755 -2.803 -6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -18.584 -0.755 -8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.836 -0.798 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -18.206 -3.314 -9.224 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -18.170 -1.961 -10.337 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.521 -2.023 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.065 -4.936 -9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.192 -5.841 -10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.736 -2.989 -11.737 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.884 -4.748 -11.817 1.00 0.00 H new ATOM 805 N GLY A 51 -19.606 -0.479 -4.321 1.00 0.00 N ATOM 806 CA GLY A 51 -20.792 -0.635 -3.421 1.00 0.00 C ATOM 807 C GLY A 51 -20.559 0.132 -2.114 1.00 0.00 C ATOM 808 O GLY A 51 -21.503 0.498 -1.434 1.00 0.00 O ATOM 0 H GLY A 51 -19.292 0.483 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.688 -0.262 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.962 -1.690 -3.208 1.00 0.00 H new ATOM 812 N VAL A 52 -19.308 0.372 -1.763 1.00 0.00 N ATOM 813 CA VAL A 52 -18.990 1.112 -0.502 1.00 0.00 C ATOM 814 C VAL A 52 -19.272 2.603 -0.698 1.00 0.00 C ATOM 815 O VAL A 52 -18.836 3.201 -1.669 1.00 0.00 O ATOM 816 CB VAL A 52 -17.514 0.911 -0.153 1.00 0.00 C ATOM 817 CG1 VAL A 52 -17.214 1.551 1.203 1.00 0.00 C ATOM 818 CG2 VAL A 52 -17.210 -0.587 -0.087 1.00 0.00 C ATOM 0 H VAL A 52 -18.494 0.082 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.610 0.731 0.309 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.893 1.378 -0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.162 1.406 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.433 2.618 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.833 1.086 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.159 -0.734 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.832 -1.051 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.422 -1.044 -1.054 1.00 0.00 H new ATOM 828 N ILE A 53 -19.996 3.196 0.227 1.00 0.00 N ATOM 829 CA ILE A 53 -20.329 4.652 0.137 1.00 0.00 C ATOM 830 C ILE A 53 -19.662 5.391 1.297 1.00 0.00 C ATOM 831 O ILE A 53 -19.146 6.483 1.130 1.00 0.00 O ATOM 832 CB ILE A 53 -21.847 4.835 0.223 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.545 3.908 -0.788 1.00 0.00 C ATOM 834 CG2 ILE A 53 -22.206 6.292 -0.081 1.00 0.00 C ATOM 835 CD1 ILE A 53 -22.081 4.223 -2.218 1.00 0.00 C ATOM 0 H ILE A 53 -20.373 2.724 1.049 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.969 5.053 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 53 -22.182 4.581 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -22.324 2.868 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -23.626 4.029 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -23.287 6.421 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.721 6.945 0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.867 6.549 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.585 3.558 -2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -22.325 5.257 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -21.003 4.078 -2.291 1.00 0.00 H new ATOM 847 N PHE A 54 -19.669 4.786 2.466 1.00 0.00 N ATOM 848 CA PHE A 54 -19.037 5.412 3.670 1.00 0.00 C ATOM 849 C PHE A 54 -17.776 4.631 4.050 1.00 0.00 C ATOM 850 O PHE A 54 -17.433 3.643 3.418 1.00 0.00 O ATOM 851 CB PHE A 54 -20.023 5.383 4.840 1.00 0.00 C ATOM 852 CG PHE A 54 -20.988 6.539 4.718 1.00 0.00 C ATOM 853 CD1 PHE A 54 -20.517 7.856 4.796 1.00 0.00 C ATOM 854 CD2 PHE A 54 -22.353 6.294 4.527 1.00 0.00 C ATOM 855 CE1 PHE A 54 -21.413 8.927 4.682 1.00 0.00 C ATOM 856 CE2 PHE A 54 -23.247 7.365 4.413 1.00 0.00 C ATOM 857 CZ PHE A 54 -22.777 8.681 4.492 1.00 0.00 C ATOM 0 H PHE A 54 -20.092 3.873 2.635 1.00 0.00 H new ATOM 0 HA PHE A 54 -18.772 6.445 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -20.569 4.440 4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -19.483 5.445 5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.464 8.046 4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -22.716 5.279 4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -21.051 9.943 4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -24.300 7.176 4.264 1.00 0.00 H new ATOM 0 HZ PHE A 54 -23.468 9.507 4.406 1.00 0.00 H new ATOM 867 N SER A 55 -17.089 5.082 5.075 1.00 0.00 N ATOM 868 CA SER A 55 -15.834 4.400 5.529 1.00 0.00 C ATOM 869 C SER A 55 -16.166 3.023 6.112 1.00 0.00 C ATOM 870 O SER A 55 -16.817 2.916 7.138 1.00 0.00 O ATOM 871 CB SER A 55 -15.146 5.251 6.597 1.00 0.00 C ATOM 872 OG SER A 55 -16.092 5.611 7.595 1.00 0.00 O ATOM 0 H SER A 55 -17.348 5.903 5.622 1.00 0.00 H new ATOM 0 HA SER A 55 -15.169 4.276 4.674 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.322 4.696 7.045 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.719 6.146 6.145 1.00 0.00 H new ATOM 0 HG SER A 55 -16.581 4.813 7.885 1.00 0.00 H new ATOM 878 N ALA A 56 -15.703 1.976 5.458 1.00 0.00 N ATOM 879 CA ALA A 56 -15.951 0.582 5.942 1.00 0.00 C ATOM 880 C ALA A 56 -14.651 -0.212 5.818 1.00 0.00 C ATOM 881 O ALA A 56 -13.778 0.154 5.052 1.00 0.00 O ATOM 882 CB ALA A 56 -17.041 -0.076 5.093 1.00 0.00 C ATOM 0 H ALA A 56 -15.157 2.035 4.598 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.280 0.601 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.217 -1.091 5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.962 0.502 5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.721 -0.108 4.051 1.00 0.00 H new ATOM 888 N ASP A 57 -14.514 -1.284 6.569 1.00 0.00 N ATOM 889 CA ASP A 57 -13.259 -2.098 6.508 1.00 0.00 C ATOM 890 C ASP A 57 -13.461 -3.315 5.602 1.00 0.00 C ATOM 891 O ASP A 57 -14.382 -4.092 5.787 1.00 0.00 O ATOM 892 CB ASP A 57 -12.882 -2.564 7.916 1.00 0.00 C ATOM 893 CG ASP A 57 -12.534 -1.350 8.779 1.00 0.00 C ATOM 894 OD1 ASP A 57 -13.438 -0.801 9.387 1.00 0.00 O ATOM 895 OD2 ASP A 57 -11.369 -0.990 8.818 1.00 0.00 O ATOM 0 H ASP A 57 -15.219 -1.628 7.221 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.458 -1.482 6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.710 -3.115 8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.033 -3.246 7.870 1.00 0.00 H new ATOM 900 N VAL A 58 -12.587 -3.472 4.631 1.00 0.00 N ATOM 901 CA VAL A 58 -12.671 -4.628 3.687 1.00 0.00 C ATOM 902 C VAL A 58 -11.414 -5.487 3.854 1.00 0.00 C ATOM 903 O VAL A 58 -10.387 -5.006 4.305 1.00 0.00 O ATOM 904 CB VAL A 58 -12.762 -4.101 2.247 1.00 0.00 C ATOM 905 CG1 VAL A 58 -12.809 -5.276 1.262 1.00 0.00 C ATOM 906 CG2 VAL A 58 -14.031 -3.247 2.091 1.00 0.00 C ATOM 0 H VAL A 58 -11.809 -2.836 4.454 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.555 -5.229 3.900 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.884 -3.491 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.874 -4.894 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.905 -5.876 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.682 -5.894 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.095 -2.873 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.908 -3.856 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -13.991 -2.406 2.783 1.00 0.00 H new ATOM 916 N LEU A 59 -11.497 -6.751 3.495 1.00 0.00 N ATOM 917 CA LEU A 59 -10.321 -7.665 3.626 1.00 0.00 C ATOM 918 C LEU A 59 -10.210 -8.542 2.377 1.00 0.00 C ATOM 919 O LEU A 59 -11.198 -9.078 1.902 1.00 0.00 O ATOM 920 CB LEU A 59 -10.506 -8.553 4.864 1.00 0.00 C ATOM 921 CG LEU A 59 -9.183 -8.657 5.628 1.00 0.00 C ATOM 922 CD1 LEU A 59 -9.467 -8.984 7.095 1.00 0.00 C ATOM 923 CD2 LEU A 59 -8.326 -9.767 5.014 1.00 0.00 C ATOM 0 H LEU A 59 -12.337 -7.187 3.115 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.410 -7.075 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.278 -8.136 5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.843 -9.545 4.564 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.650 -7.709 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.526 -9.058 7.640 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.078 -8.194 7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.000 -9.933 7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.384 -9.842 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.859 -10.716 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.124 -9.535 3.968 1.00 0.00 H new ATOM 935 N SER A 60 -9.011 -8.687 1.851 1.00 0.00 N ATOM 936 CA SER A 60 -8.801 -9.529 0.631 1.00 0.00 C ATOM 937 C SER A 60 -9.193 -10.975 0.941 1.00 0.00 C ATOM 938 O SER A 60 -9.039 -11.438 2.059 1.00 0.00 O ATOM 939 CB SER A 60 -7.331 -9.478 0.220 1.00 0.00 C ATOM 940 OG SER A 60 -6.530 -10.000 1.272 1.00 0.00 O ATOM 0 H SER A 60 -8.165 -8.253 2.221 1.00 0.00 H new ATOM 0 HA SER A 60 -9.417 -9.149 -0.184 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.176 -10.056 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.039 -8.451 0.000 1.00 0.00 H new ATOM 0 HG SER A 60 -6.168 -10.871 1.006 1.00 0.00 H new ATOM 946 N ASN A 61 -9.699 -11.681 -0.049 1.00 0.00 N ATOM 947 CA ASN A 61 -10.115 -13.104 0.152 1.00 0.00 C ATOM 948 C ASN A 61 -8.908 -14.023 -0.052 1.00 0.00 C ATOM 949 O ASN A 61 -8.814 -15.074 0.559 1.00 0.00 O ATOM 950 CB ASN A 61 -11.208 -13.462 -0.859 1.00 0.00 C ATOM 951 CG ASN A 61 -11.793 -14.833 -0.514 1.00 0.00 C ATOM 952 OD1 ASN A 61 -11.064 -15.768 -0.253 1.00 0.00 O ATOM 953 ND2 ASN A 61 -13.088 -14.992 -0.502 1.00 0.00 N ATOM 0 H ASN A 61 -9.841 -11.325 -0.994 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.500 -13.232 1.164 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.993 -12.706 -0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.795 -13.474 -1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.488 -15.902 -0.273 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.700 -14.206 -0.721 1.00 0.00 H new ATOM 960 N SER A 62 -7.991 -13.623 -0.909 1.00 0.00 N ATOM 961 CA SER A 62 -6.774 -14.451 -1.179 1.00 0.00 C ATOM 962 C SER A 62 -5.520 -13.644 -0.828 1.00 0.00 C ATOM 963 O SER A 62 -5.530 -12.424 -0.868 1.00 0.00 O ATOM 964 CB SER A 62 -6.738 -14.837 -2.657 1.00 0.00 C ATOM 965 OG SER A 62 -6.858 -13.665 -3.452 1.00 0.00 O ATOM 0 H SER A 62 -8.038 -12.750 -1.435 1.00 0.00 H new ATOM 0 HA SER A 62 -6.806 -15.354 -0.570 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.806 -15.353 -2.887 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.549 -15.529 -2.884 1.00 0.00 H new ATOM 0 HG SER A 62 -6.307 -12.951 -3.068 1.00 0.00 H new ATOM 971 N GLU A 63 -4.449 -14.327 -0.482 1.00 0.00 N ATOM 972 CA GLU A 63 -3.171 -13.637 -0.113 1.00 0.00 C ATOM 973 C GLU A 63 -2.428 -13.210 -1.379 1.00 0.00 C ATOM 974 O GLU A 63 -2.325 -13.969 -2.330 1.00 0.00 O ATOM 975 CB GLU A 63 -2.293 -14.595 0.692 1.00 0.00 C ATOM 976 CG GLU A 63 -3.064 -15.084 1.919 1.00 0.00 C ATOM 977 CD GLU A 63 -2.326 -16.265 2.551 1.00 0.00 C ATOM 978 OE1 GLU A 63 -2.184 -17.276 1.882 1.00 0.00 O ATOM 979 OE2 GLU A 63 -1.914 -16.138 3.692 1.00 0.00 O ATOM 0 H GLU A 63 -4.409 -15.345 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.398 -12.755 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.998 -15.442 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.377 -14.092 1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.165 -14.276 2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.072 -15.383 1.632 1.00 0.00 H new ATOM 986 N PHE A 64 -1.907 -12.000 -1.384 1.00 0.00 N ATOM 987 CA PHE A 64 -1.148 -11.489 -2.573 1.00 0.00 C ATOM 988 C PHE A 64 0.318 -11.312 -2.192 1.00 0.00 C ATOM 989 O PHE A 64 0.689 -11.445 -1.032 1.00 0.00 O ATOM 990 CB PHE A 64 -1.693 -10.124 -3.027 1.00 0.00 C ATOM 991 CG PHE A 64 -3.205 -10.114 -2.981 1.00 0.00 C ATOM 992 CD1 PHE A 64 -3.933 -11.065 -3.705 1.00 0.00 C ATOM 993 CD2 PHE A 64 -3.876 -9.153 -2.215 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.331 -11.056 -3.665 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.275 -9.143 -2.174 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.003 -10.096 -2.899 1.00 0.00 C ATOM 0 H PHE A 64 -1.977 -11.342 -0.608 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.258 -12.209 -3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.299 -9.337 -2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.353 -9.909 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.415 -11.806 -4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.314 -8.420 -1.656 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.892 -11.790 -4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.793 -8.401 -1.584 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.083 -10.090 -2.867 1.00 0.00 H new ATOM 1006 N TYR A 65 1.141 -10.987 -3.162 1.00 0.00 N ATOM 1007 CA TYR A 65 2.588 -10.761 -2.890 1.00 0.00 C ATOM 1008 C TYR A 65 2.734 -9.379 -2.263 1.00 0.00 C ATOM 1009 O TYR A 65 1.976 -8.475 -2.577 1.00 0.00 O ATOM 1010 CB TYR A 65 3.382 -10.836 -4.195 1.00 0.00 C ATOM 1011 CG TYR A 65 3.865 -12.252 -4.408 1.00 0.00 C ATOM 1012 CD1 TYR A 65 2.953 -13.316 -4.389 1.00 0.00 C ATOM 1013 CD2 TYR A 65 5.226 -12.501 -4.617 1.00 0.00 C ATOM 1014 CE1 TYR A 65 3.404 -14.628 -4.578 1.00 0.00 C ATOM 1015 CE2 TYR A 65 5.678 -13.813 -4.809 1.00 0.00 C ATOM 1016 CZ TYR A 65 4.767 -14.876 -4.787 1.00 0.00 C ATOM 1017 OH TYR A 65 5.213 -16.170 -4.973 1.00 0.00 O ATOM 0 H TYR A 65 0.865 -10.869 -4.137 1.00 0.00 H new ATOM 0 HA TYR A 65 2.974 -11.524 -2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.758 -10.523 -5.032 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.230 -10.152 -4.157 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.902 -13.124 -4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.929 -11.681 -4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.702 -15.448 -4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.728 -14.004 -4.974 1.00 0.00 H new ATOM 0 HH TYR A 65 6.184 -16.165 -5.106 1.00 0.00 H new ATOM 1027 N LEU A 66 3.678 -9.219 -1.365 1.00 0.00 N ATOM 1028 CA LEU A 66 3.862 -7.901 -0.683 1.00 0.00 C ATOM 1029 C LEU A 66 5.279 -7.382 -0.916 1.00 0.00 C ATOM 1030 O LEU A 66 6.237 -7.927 -0.394 1.00 0.00 O ATOM 1031 CB LEU A 66 3.634 -8.050 0.832 1.00 0.00 C ATOM 1032 CG LEU A 66 2.445 -8.978 1.118 1.00 0.00 C ATOM 1033 CD1 LEU A 66 2.286 -9.140 2.630 1.00 0.00 C ATOM 1034 CD2 LEU A 66 1.163 -8.376 0.536 1.00 0.00 C ATOM 0 H LEU A 66 4.330 -9.948 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 66 3.139 -7.198 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.533 -8.449 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.451 -7.071 1.274 1.00 0.00 H new ATOM 0 HG LEU A 66 2.627 -9.949 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.443 -9.798 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.196 -9.572 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.106 -8.165 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.323 -9.039 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.978 -7.404 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.274 -8.256 -0.542 1.00 0.00 H new ATOM 1046 N ALA A 67 5.404 -6.315 -1.675 1.00 0.00 N ATOM 1047 CA ALA A 67 6.744 -5.706 -1.942 1.00 0.00 C ATOM 1048 C ALA A 67 6.900 -4.514 -1.002 1.00 0.00 C ATOM 1049 O ALA A 67 6.257 -3.494 -1.186 1.00 0.00 O ATOM 1050 CB ALA A 67 6.819 -5.234 -3.396 1.00 0.00 C ATOM 0 H ALA A 67 4.623 -5.837 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 67 7.538 -6.434 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.797 -4.791 -3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.670 -6.084 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.043 -4.490 -3.578 1.00 0.00 H new ATOM 1056 N GLU A 68 7.722 -4.650 0.018 1.00 0.00 N ATOM 1057 CA GLU A 68 7.896 -3.538 1.006 1.00 0.00 C ATOM 1058 C GLU A 68 9.238 -2.839 0.822 1.00 0.00 C ATOM 1059 O GLU A 68 10.163 -3.370 0.230 1.00 0.00 O ATOM 1060 CB GLU A 68 7.815 -4.084 2.437 1.00 0.00 C ATOM 1061 CG GLU A 68 8.686 -5.338 2.577 1.00 0.00 C ATOM 1062 CD GLU A 68 9.130 -5.494 4.033 1.00 0.00 C ATOM 1063 OE1 GLU A 68 10.158 -4.938 4.381 1.00 0.00 O ATOM 1064 OE2 GLU A 68 8.434 -6.168 4.774 1.00 0.00 O ATOM 0 H GLU A 68 8.278 -5.484 0.206 1.00 0.00 H new ATOM 0 HA GLU A 68 7.096 -2.818 0.834 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.145 -3.323 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.781 -4.322 2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.127 -6.219 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.557 -5.262 1.927 1.00 0.00 H new ATOM 1071 N CYS A 69 9.328 -1.650 1.363 1.00 0.00 N ATOM 1072 CA CYS A 69 10.580 -0.843 1.297 1.00 0.00 C ATOM 1073 C CYS A 69 10.968 -0.494 2.734 1.00 0.00 C ATOM 1074 O CYS A 69 10.414 0.420 3.325 1.00 0.00 O ATOM 1075 CB CYS A 69 10.319 0.439 0.498 1.00 0.00 C ATOM 1076 SG CYS A 69 10.512 0.111 -1.271 1.00 0.00 S ATOM 0 H CYS A 69 8.563 -1.195 1.861 1.00 0.00 H new ATOM 0 HA CYS A 69 11.381 -1.397 0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.313 0.806 0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.012 1.220 0.810 1.00 0.00 H new ATOM 1081 N ASN A 70 11.886 -1.243 3.308 1.00 0.00 N ATOM 1082 CA ASN A 70 12.298 -1.000 4.727 1.00 0.00 C ATOM 1083 C ASN A 70 13.589 -0.184 4.779 1.00 0.00 C ATOM 1084 O ASN A 70 14.567 -0.514 4.128 1.00 0.00 O ATOM 1085 CB ASN A 70 12.519 -2.350 5.422 1.00 0.00 C ATOM 1086 CG ASN A 70 11.268 -2.734 6.215 1.00 0.00 C ATOM 1087 OD1 ASN A 70 10.093 -2.585 5.668 1.00 0.00 O flip ATOM 1088 ND2 ASN A 70 11.361 -3.178 7.342 1.00 0.00 N flip ATOM 0 H ASN A 70 12.368 -2.016 2.849 1.00 0.00 H new ATOM 0 HA ASN A 70 11.512 -0.440 5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.742 -3.119 4.682 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.379 -2.290 6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.279 -3.295 7.770 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.521 -3.434 7.860 1.00 0.00 H new ATOM 1095 N VAL A 71 13.590 0.873 5.569 1.00 0.00 N ATOM 1096 CA VAL A 71 14.807 1.731 5.712 1.00 0.00 C ATOM 1097 C VAL A 71 15.674 1.149 6.832 1.00 0.00 C ATOM 1098 O VAL A 71 15.325 1.238 7.998 1.00 0.00 O ATOM 1099 CB VAL A 71 14.380 3.167 6.067 1.00 0.00 C ATOM 1100 CG1 VAL A 71 15.609 4.037 6.357 1.00 0.00 C ATOM 1101 CG2 VAL A 71 13.617 3.771 4.891 1.00 0.00 C ATOM 0 H VAL A 71 12.789 1.175 6.123 1.00 0.00 H new ATOM 0 HA VAL A 71 15.372 1.754 4.780 1.00 0.00 H new ATOM 0 HB VAL A 71 13.747 3.134 6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 71 15.288 5.049 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.164 3.615 7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.250 4.066 5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.313 4.788 5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.260 3.788 4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.733 3.168 4.683 1.00 0.00 H new ATOM 1111 N LYS A 72 16.800 0.558 6.481 1.00 0.00 N ATOM 1112 CA LYS A 72 17.715 -0.041 7.510 1.00 0.00 C ATOM 1113 C LYS A 72 18.003 1.001 8.615 1.00 0.00 C ATOM 1114 O LYS A 72 18.031 2.184 8.327 1.00 0.00 O ATOM 1115 CB LYS A 72 19.027 -0.461 6.841 1.00 0.00 C ATOM 1116 CG LYS A 72 18.783 -1.685 5.953 1.00 0.00 C ATOM 1117 CD LYS A 72 18.631 -2.939 6.824 1.00 0.00 C ATOM 1118 CE LYS A 72 17.145 -3.280 6.992 1.00 0.00 C ATOM 1119 NZ LYS A 72 16.791 -4.428 6.108 1.00 0.00 N ATOM 0 H LYS A 72 17.124 0.466 5.518 1.00 0.00 H new ATOM 0 HA LYS A 72 17.240 -0.915 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.422 0.361 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 72 19.775 -0.693 7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 72 17.885 -1.537 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 72 19.613 -1.812 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.156 -3.777 6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.088 -2.772 7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.934 -3.530 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.532 -2.414 6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.783 -4.657 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.977 -4.173 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.366 -5.255 6.366 1.00 0.00 H new ATOM 1133 N PRO A 73 18.195 0.543 9.849 1.00 0.00 N ATOM 1134 CA PRO A 73 18.464 1.445 10.989 1.00 0.00 C ATOM 1135 C PRO A 73 19.915 1.925 10.962 1.00 0.00 C ATOM 1136 O PRO A 73 20.794 1.226 10.490 1.00 0.00 O ATOM 1137 CB PRO A 73 18.199 0.571 12.217 1.00 0.00 C ATOM 1138 CG PRO A 73 18.354 -0.894 11.752 1.00 0.00 C ATOM 1139 CD PRO A 73 18.168 -0.894 10.223 1.00 0.00 C ATOM 0 HA PRO A 73 17.848 2.344 10.975 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.903 0.801 13.017 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.199 0.749 12.612 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.335 -1.284 12.023 1.00 0.00 H new ATOM 0 HG3 PRO A 73 17.613 -1.533 12.232 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.963 -1.449 9.726 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.226 -1.362 9.937 1.00 0.00 H new ATOM 1147 N ARG A 74 20.152 3.120 11.462 1.00 0.00 N ATOM 1148 CA ARG A 74 21.530 3.702 11.487 1.00 0.00 C ATOM 1149 C ARG A 74 22.027 3.904 10.049 1.00 0.00 C ATOM 1150 O ARG A 74 23.219 3.859 9.780 1.00 0.00 O ATOM 1151 CB ARG A 74 22.481 2.771 12.257 1.00 0.00 C ATOM 1152 CG ARG A 74 22.087 2.747 13.736 1.00 0.00 C ATOM 1153 CD ARG A 74 22.793 3.889 14.469 1.00 0.00 C ATOM 1154 NE ARG A 74 24.268 3.711 14.363 1.00 0.00 N ATOM 1155 CZ ARG A 74 25.037 4.744 14.153 1.00 0.00 C ATOM 1156 NH1 ARG A 74 25.235 5.613 15.108 1.00 0.00 N ATOM 1157 NH2 ARG A 74 25.605 4.913 12.990 1.00 0.00 N ATOM 0 H ARG A 74 19.432 3.724 11.860 1.00 0.00 H new ATOM 0 HA ARG A 74 21.506 4.667 11.993 1.00 0.00 H new ATOM 0 HB2 ARG A 74 22.436 1.764 11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 74 23.510 3.115 12.149 1.00 0.00 H new ATOM 0 HG2 ARG A 74 21.006 2.848 13.837 1.00 0.00 H new ATOM 0 HG3 ARG A 74 22.361 1.790 14.181 1.00 0.00 H new ATOM 0 HD2 ARG A 74 22.500 4.847 14.040 1.00 0.00 H new ATOM 0 HD3 ARG A 74 22.492 3.904 15.517 1.00 0.00 H new ATOM 0 HE ARG A 74 24.677 2.781 14.455 1.00 0.00 H new ATOM 0 HH11 ARG A 74 24.789 5.483 16.016 1.00 0.00 H new ATOM 0 HH12 ARG A 74 25.836 6.421 14.946 1.00 0.00 H new ATOM 0 HH21 ARG A 74 25.448 4.237 12.243 1.00 0.00 H new ATOM 0 HH22 ARG A 74 26.206 5.721 12.828 1.00 0.00 H new ATOM 1171 N LYS A 75 21.111 4.139 9.129 1.00 0.00 N ATOM 1172 CA LYS A 75 21.496 4.360 7.698 1.00 0.00 C ATOM 1173 C LYS A 75 20.692 5.553 7.135 1.00 0.00 C ATOM 1174 O LYS A 75 19.506 5.645 7.393 1.00 0.00 O ATOM 1175 CB LYS A 75 21.184 3.104 6.878 1.00 0.00 C ATOM 1176 CG LYS A 75 21.768 1.871 7.574 1.00 0.00 C ATOM 1177 CD LYS A 75 22.076 0.797 6.531 1.00 0.00 C ATOM 1178 CE LYS A 75 23.523 0.943 6.057 1.00 0.00 C ATOM 1179 NZ LYS A 75 24.449 0.478 7.129 1.00 0.00 N ATOM 0 H LYS A 75 20.109 4.186 9.314 1.00 0.00 H new ATOM 0 HA LYS A 75 22.563 4.572 7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.106 2.992 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 75 21.602 3.200 5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.676 2.140 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.062 1.487 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.921 -0.194 6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.394 0.891 5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.680 0.360 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.732 1.983 5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.354 0.190 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.613 1.251 7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.026 -0.332 7.625 1.00 0.00 H new ATOM 1193 N PRO A 76 21.351 6.445 6.392 1.00 0.00 N ATOM 1194 CA PRO A 76 20.684 7.634 5.813 1.00 0.00 C ATOM 1195 C PRO A 76 19.847 7.277 4.574 1.00 0.00 C ATOM 1196 O PRO A 76 20.367 7.127 3.481 1.00 0.00 O ATOM 1197 CB PRO A 76 21.846 8.557 5.436 1.00 0.00 C ATOM 1198 CG PRO A 76 23.089 7.654 5.280 1.00 0.00 C ATOM 1199 CD PRO A 76 22.798 6.364 6.066 1.00 0.00 C ATOM 0 HA PRO A 76 19.982 8.090 6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 76 21.634 9.089 4.509 1.00 0.00 H new ATOM 0 HB3 PRO A 76 22.008 9.311 6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 76 23.278 7.433 4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 76 23.979 8.150 5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 76 23.022 5.478 5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.405 6.304 6.969 1.00 0.00 H new ATOM 1207 N CYS A 77 18.547 7.172 4.755 1.00 0.00 N ATOM 1208 CA CYS A 77 17.608 6.862 3.624 1.00 0.00 C ATOM 1209 C CYS A 77 18.084 5.645 2.800 1.00 0.00 C ATOM 1210 O CYS A 77 17.989 5.634 1.578 1.00 0.00 O ATOM 1211 CB CYS A 77 17.484 8.103 2.727 1.00 0.00 C ATOM 1212 SG CYS A 77 16.198 9.199 3.382 1.00 0.00 S ATOM 0 H CYS A 77 18.089 7.291 5.659 1.00 0.00 H new ATOM 0 HA CYS A 77 16.634 6.603 4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.437 8.630 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.238 7.805 1.708 1.00 0.00 H new ATOM 1217 N LYS A 78 18.556 4.605 3.463 1.00 0.00 N ATOM 1218 CA LYS A 78 18.998 3.370 2.736 1.00 0.00 C ATOM 1219 C LYS A 78 17.848 2.369 2.786 1.00 0.00 C ATOM 1220 O LYS A 78 17.410 1.973 3.853 1.00 0.00 O ATOM 1221 CB LYS A 78 20.243 2.785 3.410 1.00 0.00 C ATOM 1222 CG LYS A 78 21.483 3.102 2.564 1.00 0.00 C ATOM 1223 CD LYS A 78 22.636 3.518 3.476 1.00 0.00 C ATOM 1224 CE LYS A 78 23.691 4.273 2.660 1.00 0.00 C ATOM 1225 NZ LYS A 78 24.765 3.329 2.239 1.00 0.00 N ATOM 0 H LYS A 78 18.652 4.563 4.478 1.00 0.00 H new ATOM 0 HA LYS A 78 19.253 3.602 1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 78 20.357 3.202 4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 78 20.134 1.706 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 78 21.768 2.229 1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.259 3.901 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 78 22.265 4.150 4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 78 23.082 2.638 3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 78 23.230 4.730 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 78 24.116 5.082 3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 25.481 3.842 1.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 25.211 2.913 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 24.353 2.572 1.656 1.00 0.00 H new ATOM 1239 N TYR A 79 17.328 2.003 1.634 1.00 0.00 N ATOM 1240 CA TYR A 79 16.159 1.073 1.582 1.00 0.00 C ATOM 1241 C TYR A 79 16.567 -0.333 1.142 1.00 0.00 C ATOM 1242 O TYR A 79 17.612 -0.541 0.549 1.00 0.00 O ATOM 1243 CB TYR A 79 15.139 1.630 0.593 1.00 0.00 C ATOM 1244 CG TYR A 79 14.589 2.932 1.123 1.00 0.00 C ATOM 1245 CD1 TYR A 79 15.411 4.065 1.202 1.00 0.00 C ATOM 1246 CD2 TYR A 79 13.261 3.001 1.552 1.00 0.00 C ATOM 1247 CE1 TYR A 79 14.901 5.264 1.712 1.00 0.00 C ATOM 1248 CE2 TYR A 79 12.752 4.201 2.058 1.00 0.00 C ATOM 1249 CZ TYR A 79 13.572 5.332 2.140 1.00 0.00 C ATOM 1250 OH TYR A 79 13.068 6.512 2.644 1.00 0.00 O ATOM 0 H TYR A 79 17.669 2.313 0.724 1.00 0.00 H new ATOM 0 HA TYR A 79 15.736 0.998 2.584 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.607 1.788 -0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 79 14.331 0.914 0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 79 16.437 4.012 0.869 1.00 0.00 H new ATOM 0 HD2 TYR A 79 12.628 2.128 1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 79 15.534 6.137 1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.724 4.255 2.386 1.00 0.00 H new ATOM 0 HH TYR A 79 13.804 7.137 2.813 1.00 0.00 H new ATOM 1260 N LYS A 80 15.712 -1.290 1.433 1.00 0.00 N ATOM 1261 CA LYS A 80 15.961 -2.713 1.051 1.00 0.00 C ATOM 1262 C LYS A 80 14.626 -3.341 0.632 1.00 0.00 C ATOM 1263 O LYS A 80 13.634 -3.222 1.335 1.00 0.00 O ATOM 1264 CB LYS A 80 16.538 -3.470 2.248 1.00 0.00 C ATOM 1265 CG LYS A 80 17.263 -4.724 1.757 1.00 0.00 C ATOM 1266 CD LYS A 80 18.714 -4.377 1.418 1.00 0.00 C ATOM 1267 CE LYS A 80 19.358 -5.540 0.663 1.00 0.00 C ATOM 1268 NZ LYS A 80 20.792 -5.653 1.052 1.00 0.00 N ATOM 0 H LYS A 80 14.835 -1.136 1.930 1.00 0.00 H new ATOM 0 HA LYS A 80 16.672 -2.765 0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.228 -2.830 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.740 -3.745 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.233 -5.498 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 80 16.760 -5.127 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.750 -3.472 0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 80 19.272 -4.170 2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.835 -6.469 0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.273 -5.381 -0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 21.230 -6.444 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.287 -4.770 0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 20.862 -5.824 2.075 1.00 0.00 H new ATOM 1282 N LEU A 81 14.597 -3.983 -0.517 1.00 0.00 N ATOM 1283 CA LEU A 81 13.333 -4.608 -1.027 1.00 0.00 C ATOM 1284 C LEU A 81 13.083 -5.954 -0.339 1.00 0.00 C ATOM 1285 O LEU A 81 13.928 -6.834 -0.356 1.00 0.00 O ATOM 1286 CB LEU A 81 13.458 -4.822 -2.544 1.00 0.00 C ATOM 1287 CG LEU A 81 12.157 -4.422 -3.256 1.00 0.00 C ATOM 1288 CD1 LEU A 81 10.991 -5.266 -2.733 1.00 0.00 C ATOM 1289 CD2 LEU A 81 11.865 -2.938 -3.009 1.00 0.00 C ATOM 0 H LEU A 81 15.405 -4.100 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 81 12.495 -3.946 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.288 -4.232 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.686 -5.868 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 81 12.273 -4.596 -4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.073 -4.975 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.192 -6.321 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.877 -5.104 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.941 -2.660 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.759 -2.761 -1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.687 -2.336 -3.396 1.00 0.00 H new ATOM 1301 N LYS A 82 11.912 -6.112 0.247 1.00 0.00 N ATOM 1302 CA LYS A 82 11.549 -7.392 0.933 1.00 0.00 C ATOM 1303 C LYS A 82 10.222 -7.897 0.358 1.00 0.00 C ATOM 1304 O LYS A 82 9.360 -7.110 0.005 1.00 0.00 O ATOM 1305 CB LYS A 82 11.398 -7.144 2.439 1.00 0.00 C ATOM 1306 CG LYS A 82 12.666 -7.600 3.168 1.00 0.00 C ATOM 1307 CD LYS A 82 12.289 -8.212 4.521 1.00 0.00 C ATOM 1308 CE LYS A 82 11.970 -9.700 4.347 1.00 0.00 C ATOM 1309 NZ LYS A 82 12.585 -10.471 5.463 1.00 0.00 N ATOM 0 H LYS A 82 11.187 -5.396 0.276 1.00 0.00 H new ATOM 0 HA LYS A 82 12.330 -8.135 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.220 -6.085 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.533 -7.685 2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.202 -8.331 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.338 -6.754 3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.109 -8.087 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.426 -7.692 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.891 -9.853 4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.352 -10.056 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.370 -11.482 5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.616 -10.333 5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.200 -10.137 6.369 1.00 0.00 H new ATOM 1323 N LYS A 83 10.062 -9.202 0.253 1.00 0.00 N ATOM 1324 CA LYS A 83 8.800 -9.781 -0.309 1.00 0.00 C ATOM 1325 C LYS A 83 8.059 -10.575 0.768 1.00 0.00 C ATOM 1326 O LYS A 83 8.662 -11.076 1.704 1.00 0.00 O ATOM 1327 CB LYS A 83 9.137 -10.713 -1.476 1.00 0.00 C ATOM 1328 CG LYS A 83 10.205 -11.722 -1.040 1.00 0.00 C ATOM 1329 CD LYS A 83 11.578 -11.268 -1.544 1.00 0.00 C ATOM 1330 CE LYS A 83 12.561 -12.437 -1.481 1.00 0.00 C ATOM 1331 NZ LYS A 83 13.201 -12.476 -0.136 1.00 0.00 N ATOM 0 H LYS A 83 10.759 -9.891 0.536 1.00 0.00 H new ATOM 0 HA LYS A 83 8.165 -8.967 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.240 -11.238 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.497 -10.132 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.216 -11.808 0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.970 -12.710 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.498 -10.902 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.943 -10.440 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.040 -13.375 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.321 -12.329 -2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.870 -13.271 -0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.711 -11.585 0.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.470 -12.599 0.593 1.00 0.00 H new ATOM 1345 N SER A 84 6.754 -10.688 0.630 1.00 0.00 N ATOM 1346 CA SER A 84 5.931 -11.446 1.624 1.00 0.00 C ATOM 1347 C SER A 84 4.613 -11.883 0.975 1.00 0.00 C ATOM 1348 O SER A 84 4.354 -11.589 -0.180 1.00 0.00 O ATOM 1349 CB SER A 84 5.639 -10.548 2.829 1.00 0.00 C ATOM 1350 OG SER A 84 6.596 -10.804 3.849 1.00 0.00 O ATOM 0 H SER A 84 6.222 -10.281 -0.139 1.00 0.00 H new ATOM 0 HA SER A 84 6.479 -12.329 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.677 -9.500 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.633 -10.737 3.203 1.00 0.00 H new ATOM 0 HG SER A 84 7.472 -10.970 3.442 1.00 0.00 H new ATOM 1356 N SER A 85 3.790 -12.586 1.721 1.00 0.00 N ATOM 1357 CA SER A 85 2.473 -13.066 1.189 1.00 0.00 C ATOM 1358 C SER A 85 1.438 -13.025 2.314 1.00 0.00 C ATOM 1359 O SER A 85 1.605 -13.676 3.333 1.00 0.00 O ATOM 1360 CB SER A 85 2.616 -14.503 0.687 1.00 0.00 C ATOM 1361 OG SER A 85 3.089 -15.324 1.747 1.00 0.00 O ATOM 0 H SER A 85 3.978 -12.850 2.688 1.00 0.00 H new ATOM 0 HA SER A 85 2.154 -12.426 0.366 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.656 -14.872 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.308 -14.540 -0.154 1.00 0.00 H new ATOM 0 HG SER A 85 2.674 -15.043 2.589 1.00 0.00 H new ATOM 1367 N ASN A 86 0.383 -12.257 2.136 1.00 0.00 N ATOM 1368 CA ASN A 86 -0.673 -12.152 3.195 1.00 0.00 C ATOM 1369 C ASN A 86 -1.871 -11.363 2.661 1.00 0.00 C ATOM 1370 O ASN A 86 -1.801 -10.763 1.601 1.00 0.00 O ATOM 1371 CB ASN A 86 -0.084 -11.424 4.407 1.00 0.00 C ATOM 1372 CG ASN A 86 -0.652 -12.021 5.695 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -1.065 -11.221 6.641 1.00 0.00 O flip ATOM 1374 ND2 ASN A 86 -0.727 -13.225 5.840 1.00 0.00 N flip ATOM 0 H ASN A 86 0.210 -11.698 1.300 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.005 -13.150 3.481 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.002 -11.511 4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.318 -10.361 4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.404 -13.849 5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.113 -13.612 6.701 1.00 0.00 H new ATOM 1381 N ARG A 87 -2.961 -11.357 3.403 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.184 -10.602 2.977 1.00 0.00 C ATOM 1383 C ARG A 87 -4.011 -9.123 3.337 1.00 0.00 C ATOM 1384 O ARG A 87 -2.991 -8.732 3.884 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.412 -11.166 3.694 1.00 0.00 C ATOM 1386 CG ARG A 87 -5.671 -12.595 3.214 1.00 0.00 C ATOM 1387 CD ARG A 87 -6.373 -13.385 4.319 1.00 0.00 C ATOM 1388 NE ARG A 87 -6.174 -14.843 4.087 1.00 0.00 N ATOM 1389 CZ ARG A 87 -6.930 -15.710 4.702 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -8.229 -15.608 4.632 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -6.387 -16.680 5.385 1.00 0.00 N ATOM 0 H ARG A 87 -3.052 -11.848 4.292 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.321 -10.703 1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.253 -11.156 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.282 -10.541 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.287 -12.582 2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.730 -13.077 2.949 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.974 -13.103 5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.437 -13.149 4.330 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.447 -15.163 3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.653 -14.850 4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.820 -16.286 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.372 -16.760 5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.978 -17.358 5.866 1.00 0.00 H new ATOM 1405 N ILE A 88 -4.998 -8.300 3.034 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.890 -6.840 3.350 1.00 0.00 C ATOM 1407 C ILE A 88 -6.224 -6.298 3.859 1.00 0.00 C ATOM 1408 O ILE A 88 -7.268 -6.538 3.276 1.00 0.00 O ATOM 1409 CB ILE A 88 -4.488 -6.065 2.091 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -5.386 -6.482 0.914 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -3.026 -6.364 1.755 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -5.814 -5.241 0.128 1.00 0.00 C ATOM 0 H ILE A 88 -5.869 -8.581 2.583 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.133 -6.714 4.124 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.608 -4.997 2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.850 -7.171 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.264 -7.011 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.739 -5.813 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.392 -6.059 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.904 -7.433 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.450 -5.540 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.367 -4.568 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.930 -4.730 -0.255 1.00 0.00 H new ATOM 1424 N CYS A 89 -6.171 -5.544 4.933 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.401 -4.924 5.512 1.00 0.00 C ATOM 1426 C CYS A 89 -7.373 -3.439 5.158 1.00 0.00 C ATOM 1427 O CYS A 89 -6.464 -2.729 5.555 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.394 -5.090 7.032 1.00 0.00 C ATOM 1429 SG CYS A 89 -9.091 -5.015 7.653 1.00 0.00 S ATOM 0 H CYS A 89 -5.311 -5.330 5.439 1.00 0.00 H new ATOM 0 HA CYS A 89 -8.298 -5.400 5.115 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.938 -6.042 7.303 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.792 -4.306 7.492 1.00 0.00 H new ATOM 0 HG CYS A 89 -9.920 -5.014 6.652 1.00 0.00 H new ATOM 1434 N ILE A 90 -8.336 -2.976 4.388 1.00 0.00 N ATOM 1435 CA ILE A 90 -8.344 -1.537 3.970 1.00 0.00 C ATOM 1436 C ILE A 90 -9.660 -0.857 4.350 1.00 0.00 C ATOM 1437 O ILE A 90 -10.679 -1.506 4.523 1.00 0.00 O ATOM 1438 CB ILE A 90 -8.157 -1.464 2.455 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -9.233 -2.309 1.766 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -6.774 -2.004 2.087 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -9.260 -1.990 0.269 1.00 0.00 C ATOM 0 H ILE A 90 -9.113 -3.533 4.033 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.533 -1.020 4.483 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.243 -0.428 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.029 -3.369 1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -10.208 -2.105 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.639 -1.953 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.007 -1.405 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.689 -3.040 2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -10.027 -2.593 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.485 -0.933 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.288 -2.217 -0.169 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.631 0.458 4.447 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.856 1.243 4.779 1.00 0.00 C ATOM 1455 C ARG A 91 -11.349 1.878 3.483 1.00 0.00 C ATOM 1456 O ARG A 91 -10.609 2.603 2.834 1.00 0.00 O ATOM 1457 CB ARG A 91 -10.513 2.332 5.796 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.793 3.051 6.225 1.00 0.00 C ATOM 1459 CD ARG A 91 -11.660 3.502 7.680 1.00 0.00 C ATOM 1460 NE ARG A 91 -10.804 4.720 7.747 1.00 0.00 N ATOM 1461 CZ ARG A 91 -10.302 5.103 8.889 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -11.067 5.186 9.943 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -9.033 5.397 8.979 1.00 0.00 N ATOM 0 H ARG A 91 -8.793 1.022 4.306 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.624 0.602 5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.022 1.892 6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.812 3.044 5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.973 3.912 5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.650 2.387 6.116 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.644 3.713 8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.223 2.704 8.281 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.610 5.254 6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.057 4.951 9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.675 5.485 10.836 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.434 5.327 8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.641 5.696 9.872 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.571 1.585 3.085 1.00 0.00 N ATOM 1478 CA CYS A 92 -13.097 2.135 1.799 1.00 0.00 C ATOM 1479 C CYS A 92 -14.297 3.056 2.024 1.00 0.00 C ATOM 1480 O CYS A 92 -15.123 2.832 2.891 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.521 0.980 0.894 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.815 1.609 -0.777 1.00 0.00 S ATOM 0 H CYS A 92 -13.221 0.989 3.598 1.00 0.00 H new ATOM 0 HA CYS A 92 -12.302 2.719 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.746 0.214 0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.425 0.511 1.283 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.386 4.073 1.203 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.515 5.052 1.263 1.00 0.00 C ATOM 1489 C GLU A 93 -15.607 5.714 -0.106 1.00 0.00 C ATOM 1490 O GLU A 93 -14.601 5.892 -0.761 1.00 0.00 O ATOM 1491 CB GLU A 93 -15.256 6.112 2.338 1.00 0.00 C ATOM 1492 CG GLU A 93 -13.836 6.665 2.195 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.715 7.971 2.979 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -13.943 7.944 4.178 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -13.396 8.979 2.368 1.00 0.00 O ATOM 0 H GLU A 93 -13.702 4.270 0.472 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.445 4.544 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.981 6.921 2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.388 5.677 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.113 5.938 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.606 6.837 1.144 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.798 6.050 -0.550 1.00 0.00 N ATOM 1503 CA HIS A 94 -16.964 6.675 -1.903 1.00 0.00 C ATOM 1504 C HIS A 94 -16.452 5.700 -2.979 1.00 0.00 C ATOM 1505 O HIS A 94 -16.103 6.103 -4.077 1.00 0.00 O ATOM 1506 CB HIS A 94 -16.170 7.986 -1.974 1.00 0.00 C ATOM 1507 CG HIS A 94 -17.025 9.121 -1.485 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.237 9.445 -2.074 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.853 10.021 -0.461 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -18.743 10.499 -1.409 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -17.940 10.890 -0.415 1.00 0.00 N ATOM 0 H HIS A 94 -17.665 5.917 -0.030 1.00 0.00 H new ATOM 0 HA HIS A 94 -18.019 6.890 -2.075 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.268 7.910 -1.367 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -15.850 8.174 -2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.004 10.050 0.206 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.684 10.972 -1.649 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -18.091 11.660 0.237 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.422 4.414 -2.665 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.955 3.372 -3.642 1.00 0.00 C ATOM 1521 C GLU A 95 -14.434 3.491 -3.874 1.00 0.00 C ATOM 1522 O GLU A 95 -13.943 3.248 -4.969 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.713 3.537 -4.969 1.00 0.00 C ATOM 1524 CG GLU A 95 -16.865 2.173 -5.646 1.00 0.00 C ATOM 1525 CD GLU A 95 -16.726 2.333 -7.162 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -15.616 2.565 -7.613 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -17.731 2.221 -7.845 1.00 0.00 O ATOM 0 H GLU A 95 -16.707 4.043 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 95 -16.160 2.383 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -17.694 3.975 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.175 4.222 -5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -16.108 1.484 -5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.836 1.742 -5.403 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.685 3.839 -2.842 1.00 0.00 N ATOM 1535 CA LEU A 96 -12.193 3.955 -2.981 1.00 0.00 C ATOM 1536 C LEU A 96 -11.520 3.824 -1.594 1.00 0.00 C ATOM 1537 O LEU A 96 -11.951 4.474 -0.658 1.00 0.00 O ATOM 1538 CB LEU A 96 -11.822 5.306 -3.620 1.00 0.00 C ATOM 1539 CG LEU A 96 -12.554 6.462 -2.931 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -11.737 6.966 -1.732 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -12.744 7.603 -3.936 1.00 0.00 C ATOM 0 H LEU A 96 -14.046 4.047 -1.911 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.837 3.151 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.745 5.461 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.075 5.292 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.524 6.114 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -12.267 7.788 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.600 6.154 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.763 7.315 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.265 8.430 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.770 7.943 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.333 7.248 -4.782 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.476 2.993 -1.488 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.748 2.800 -0.214 1.00 0.00 C ATOM 1555 C PRO A 97 -8.815 3.984 0.023 1.00 0.00 C ATOM 1556 O PRO A 97 -7.897 4.220 -0.745 1.00 0.00 O ATOM 1557 CB PRO A 97 -8.952 1.510 -0.431 1.00 0.00 C ATOM 1558 CG PRO A 97 -8.806 1.341 -1.959 1.00 0.00 C ATOM 1559 CD PRO A 97 -9.927 2.178 -2.603 1.00 0.00 C ATOM 0 HA PRO A 97 -10.403 2.735 0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.975 1.571 0.048 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.469 0.656 0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.826 1.682 -2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.893 0.292 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.540 2.810 -3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.694 1.541 -3.043 1.00 0.00 H new ATOM 1567 N VAL A 98 -9.064 4.734 1.073 1.00 0.00 N ATOM 1568 CA VAL A 98 -8.222 5.933 1.379 1.00 0.00 C ATOM 1569 C VAL A 98 -7.140 5.591 2.408 1.00 0.00 C ATOM 1570 O VAL A 98 -6.146 6.294 2.511 1.00 0.00 O ATOM 1571 CB VAL A 98 -9.121 7.044 1.920 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -10.147 7.421 0.852 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -9.858 6.549 3.164 1.00 0.00 C ATOM 0 H VAL A 98 -9.821 4.564 1.735 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.728 6.264 0.466 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.512 7.911 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.792 8.213 1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.630 7.770 -0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.751 6.548 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.498 7.343 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.468 5.684 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.134 6.266 3.928 1.00 0.00 H new ATOM 1583 N HIS A 99 -7.325 4.530 3.167 1.00 0.00 N ATOM 1584 CA HIS A 99 -6.308 4.144 4.198 1.00 0.00 C ATOM 1585 C HIS A 99 -6.240 2.622 4.325 1.00 0.00 C ATOM 1586 O HIS A 99 -6.931 1.901 3.625 1.00 0.00 O ATOM 1587 CB HIS A 99 -6.698 4.746 5.549 1.00 0.00 C ATOM 1588 CG HIS A 99 -6.291 6.193 5.597 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -5.082 6.642 5.087 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -6.920 7.305 6.101 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -5.024 7.971 5.294 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -6.119 8.426 5.909 1.00 0.00 N ATOM 0 H HIS A 99 -8.138 3.916 3.114 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.332 4.522 3.892 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.774 4.656 5.701 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.215 4.196 6.356 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -4.367 6.070 4.637 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.890 7.309 6.575 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -4.193 8.594 4.999 1.00 0.00 H new ATOM 1600 N PHE A 100 -5.406 2.144 5.224 1.00 0.00 N ATOM 1601 CA PHE A 100 -5.256 0.670 5.441 1.00 0.00 C ATOM 1602 C PHE A 100 -5.470 0.355 6.924 1.00 0.00 C ATOM 1603 O PHE A 100 -4.815 0.922 7.782 1.00 0.00 O ATOM 1604 CB PHE A 100 -3.850 0.227 5.019 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.820 1.087 5.711 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -2.469 2.330 5.170 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -2.219 0.647 6.896 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -1.518 3.131 5.812 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -1.267 1.446 7.539 1.00 0.00 C ATOM 1610 CZ PHE A 100 -0.917 2.689 6.997 1.00 0.00 C ATOM 0 H PHE A 100 -4.817 2.723 5.823 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.994 0.136 4.843 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.695 -0.821 5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.741 0.310 3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.933 2.671 4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.490 -0.311 7.315 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.248 4.089 5.394 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.803 1.104 8.452 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.183 3.307 7.493 1.00 0.00 H new ATOM 1620 N ALA A 101 -6.384 -0.548 7.221 1.00 0.00 N ATOM 1621 CA ALA A 101 -6.666 -0.927 8.643 1.00 0.00 C ATOM 1622 C ALA A 101 -5.481 -1.712 9.195 1.00 0.00 C ATOM 1623 O ALA A 101 -5.011 -1.453 10.292 1.00 0.00 O ATOM 1624 CB ALA A 101 -7.917 -1.805 8.700 1.00 0.00 C ATOM 0 H ALA A 101 -6.949 -1.040 6.529 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.825 -0.026 9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.121 -2.080 9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.767 -1.254 8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.756 -2.707 8.110 1.00 0.00 H new ATOM 1630 N GLY A 102 -5.005 -2.671 8.433 1.00 0.00 N ATOM 1631 CA GLY A 102 -3.847 -3.506 8.876 1.00 0.00 C ATOM 1632 C GLY A 102 -3.553 -4.579 7.827 1.00 0.00 C ATOM 1633 O GLY A 102 -3.997 -4.486 6.694 1.00 0.00 O ATOM 0 H GLY A 102 -5.376 -2.911 7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.969 -2.878 9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.069 -3.973 9.835 1.00 0.00 H new ATOM 1637 N VAL A 103 -2.799 -5.590 8.204 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.441 -6.692 7.256 1.00 0.00 C ATOM 1639 C VAL A 103 -2.780 -8.052 7.885 1.00 0.00 C ATOM 1640 O VAL A 103 -2.515 -8.282 9.054 1.00 0.00 O ATOM 1641 CB VAL A 103 -0.939 -6.606 6.952 1.00 0.00 C ATOM 1642 CG1 VAL A 103 -0.130 -6.785 8.243 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.547 -7.692 5.941 1.00 0.00 C ATOM 0 H VAL A 103 -2.413 -5.696 9.142 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.009 -6.590 6.331 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.721 -5.626 6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.934 -6.722 8.017 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.397 -6.001 8.951 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.352 -7.759 8.679 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.520 -7.625 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.774 -8.674 6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.109 -7.550 5.018 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.357 -8.945 7.106 1.00 0.00 N ATOM 1654 CA GLY A 104 -3.721 -10.303 7.622 1.00 0.00 C ATOM 1655 C GLY A 104 -5.239 -10.411 7.784 1.00 0.00 C ATOM 1656 O GLY A 104 -5.955 -10.616 6.818 1.00 0.00 O ATOM 0 H GLY A 104 -3.592 -8.785 6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.365 -11.070 6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.231 -10.481 8.579 1.00 0.00 H new ATOM 1660 N ILE A 105 -5.723 -10.283 9.003 1.00 0.00 N ATOM 1661 CA ILE A 105 -7.195 -10.382 9.264 1.00 0.00 C ATOM 1662 C ILE A 105 -7.650 -9.181 10.098 1.00 0.00 C ATOM 1663 O ILE A 105 -6.844 -8.513 10.725 1.00 0.00 O ATOM 1664 CB ILE A 105 -7.489 -11.677 10.025 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -6.608 -11.749 11.276 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -7.187 -12.880 9.128 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -7.047 -12.933 12.139 1.00 0.00 C ATOM 0 H ILE A 105 -5.154 -10.113 9.832 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.734 -10.387 8.316 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.540 -11.691 10.315 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.562 -11.860 10.991 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.687 -10.822 11.844 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.397 -13.801 9.672 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.812 -12.835 8.236 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.137 -12.862 8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.421 -12.986 13.030 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -8.088 -12.802 12.434 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.945 -13.856 11.569 1.00 0.00 H new