USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 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 39 HIS : no HD1:sc= -5.16! C(o=-5.7!,f=-9.5!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.546 K(o=-5.7,f=-7.5) USER MOD Set 2.1: A 49 GLN : amide:sc= 1.21 K(o=2.1,f=-1.9!) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.841 K(o=2.1,f=-2.6) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 178:sc= 1.04 USER MOD Single : A 8 THR OG1 : rot -121:sc= 1.86 USER MOD Single : A 13 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -0.255 K(o=-0.25,f=-1.5) USER MOD Single : A 16 ASN : amide:sc= -0.276 K(o=-0.28,f=-1.8) USER MOD Single : A 20 SER OG : rot 39:sc= 0.164 USER MOD Single : A 21 THR OG1 : rot -40:sc= 0.927 USER MOD Single : A 26 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.59) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0.993 (180deg=0.121!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -130:sc= -0.56 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 21:sc= 1.45 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0424 USER MOD Single : A 71 SER OG : rot -42:sc= 0.496 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.542 K(o=-0.54,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -1.171 -7.173 -14.169 1.00 10.00 N ATOM 30 CA LYS A 5 -1.683 -8.349 -13.495 1.00 10.00 C ATOM 31 C LYS A 5 -2.561 -7.835 -12.365 1.00 10.00 C ATOM 32 O LYS A 5 -2.081 -7.110 -11.497 1.00 10.00 O ATOM 33 CB LYS A 5 -0.526 -9.238 -13.002 1.00 10.00 C ATOM 34 CG LYS A 5 -0.632 -10.632 -13.637 1.00 10.00 C ATOM 35 CD LYS A 5 0.632 -11.472 -13.413 1.00 10.00 C ATOM 36 CE LYS A 5 1.687 -11.172 -14.491 1.00 10.00 C ATOM 37 NZ LYS A 5 2.880 -12.032 -14.352 1.00 10.00 N ATOM 0 HA LYS A 5 -2.268 -8.985 -14.159 1.00 10.00 H new ATOM 0 HB2 LYS A 5 0.430 -8.783 -13.261 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.556 -9.320 -11.916 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -1.492 -11.155 -13.218 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -0.812 -10.529 -14.707 1.00 10.00 H new ATOM 0 HD2 LYS A 5 1.044 -11.261 -12.426 1.00 10.00 H new ATOM 0 HD3 LYS A 5 0.378 -12.532 -13.432 1.00 10.00 H new ATOM 0 HE2 LYS A 5 1.248 -11.317 -15.478 1.00 10.00 H new ATOM 0 HE3 LYS A 5 1.985 -10.126 -14.426 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 3.566 -11.797 -15.098 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 3.314 -11.875 -13.420 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 2.601 -13.030 -14.440 1.00 10.00 H new ATOM 51 N TYR A 6 -3.859 -8.126 -12.426 1.00 10.00 N ATOM 52 CA TYR A 6 -4.789 -7.663 -11.419 1.00 10.00 C ATOM 53 C TYR A 6 -4.787 -8.645 -10.248 1.00 10.00 C ATOM 54 O TYR A 6 -4.535 -9.830 -10.460 1.00 10.00 O ATOM 55 CB TYR A 6 -6.183 -7.500 -12.022 1.00 10.00 C ATOM 56 CG TYR A 6 -6.233 -6.789 -13.360 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.196 -5.385 -13.409 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.320 -7.529 -14.554 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.214 -4.722 -14.648 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.355 -6.865 -15.793 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.305 -5.461 -15.839 1.00 10.00 C ATOM 62 OH TYR A 6 -6.347 -4.814 -17.038 1.00 10.00 O ATOM 0 H TYR A 6 -4.284 -8.683 -13.168 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.482 -6.685 -11.048 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.628 -8.488 -12.138 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.805 -6.951 -11.315 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.154 -4.815 -12.493 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.360 -8.608 -14.519 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.158 -3.644 -14.684 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.420 -7.434 -16.709 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.409 -5.471 -17.762 1.00 10.00 H new ATOM 72 N TYR A 7 -5.066 -8.171 -9.031 1.00 10.00 N ATOM 73 CA TYR A 7 -5.113 -9.009 -7.838 1.00 10.00 C ATOM 74 C TYR A 7 -6.463 -8.836 -7.151 1.00 10.00 C ATOM 75 O TYR A 7 -7.022 -7.736 -7.149 1.00 10.00 O ATOM 76 CB TYR A 7 -3.973 -8.650 -6.883 1.00 10.00 C ATOM 77 CG TYR A 7 -2.607 -8.566 -7.526 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.843 -9.725 -7.751 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.121 -7.316 -7.941 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.607 -9.632 -8.418 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.893 -7.225 -8.607 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.148 -8.384 -8.876 1.00 10.00 C ATOM 83 OH TYR A 7 1.010 -8.294 -9.593 1.00 10.00 O ATOM 0 H TYR A 7 -5.266 -7.188 -8.848 1.00 10.00 H new ATOM 0 HA TYR A 7 -4.991 -10.052 -8.129 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.198 -7.691 -6.416 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.938 -9.393 -6.086 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.204 -10.685 -7.413 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.696 -6.423 -7.746 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.011 -10.519 -8.578 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.518 -6.260 -8.915 1.00 10.00 H new ATOM 0 HH TYR A 7 1.160 -7.362 -9.857 1.00 10.00 H new ATOM 93 N THR A 8 -6.992 -9.928 -6.599 1.00 10.00 N ATOM 94 CA THR A 8 -8.250 -9.931 -5.871 1.00 10.00 C ATOM 95 C THR A 8 -8.025 -9.378 -4.465 1.00 10.00 C ATOM 96 O THR A 8 -6.921 -9.474 -3.927 1.00 10.00 O ATOM 97 CB THR A 8 -8.822 -11.357 -5.804 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.038 -12.163 -4.945 1.00 10.00 O ATOM 99 CG2 THR A 8 -8.939 -11.990 -7.196 1.00 10.00 C ATOM 0 H THR A 8 -6.549 -10.845 -6.649 1.00 10.00 H new ATOM 0 HA THR A 8 -8.970 -9.299 -6.391 1.00 10.00 H new ATOM 0 HB THR A 8 -9.830 -11.292 -5.396 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.689 -12.931 -5.445 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.347 -12.997 -7.105 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.600 -11.385 -7.816 1.00 10.00 H new ATOM 0 HG23 THR A 8 -7.953 -12.039 -7.658 1.00 10.00 H new ATOM 107 N LEU A 9 -9.081 -8.836 -3.851 1.00 10.00 N ATOM 108 CA LEU A 9 -9.045 -8.397 -2.461 1.00 10.00 C ATOM 109 C LEU A 9 -8.470 -9.508 -1.576 1.00 10.00 C ATOM 110 O LEU A 9 -7.642 -9.244 -0.713 1.00 10.00 O ATOM 111 CB LEU A 9 -10.453 -7.980 -2.002 1.00 10.00 C ATOM 112 CG LEU A 9 -10.460 -6.664 -1.201 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.889 -6.305 -0.776 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.600 -6.750 0.065 1.00 10.00 C ATOM 0 H LEU A 9 -9.982 -8.691 -4.307 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.394 -7.527 -2.372 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.096 -7.871 -2.875 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.879 -8.774 -1.389 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.046 -5.900 -1.860 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.877 -5.373 -0.211 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.513 -6.185 -1.662 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.294 -7.102 -0.153 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.637 -5.798 0.595 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.982 -7.541 0.711 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.569 -6.972 -0.210 1.00 10.00 H new ATOM 126 N GLU A 10 -8.890 -10.752 -1.820 1.00 10.00 N ATOM 127 CA GLU A 10 -8.401 -11.931 -1.110 1.00 10.00 C ATOM 128 C GLU A 10 -6.884 -12.092 -1.243 1.00 10.00 C ATOM 129 O GLU A 10 -6.158 -12.115 -0.246 1.00 10.00 O ATOM 130 CB GLU A 10 -9.114 -13.185 -1.624 1.00 10.00 C ATOM 131 CG GLU A 10 -8.909 -14.380 -0.681 1.00 10.00 C ATOM 132 CD GLU A 10 -9.577 -14.179 0.675 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.806 -13.959 0.672 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.841 -14.246 1.682 1.00 10.00 O ATOM 0 H GLU A 10 -9.591 -10.969 -2.529 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.623 -11.795 -0.051 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.180 -12.981 -1.727 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.740 -13.436 -2.616 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.309 -15.280 -1.149 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.841 -14.544 -0.535 1.00 10.00 H new ATOM 141 N GLU A 11 -6.399 -12.216 -2.484 1.00 10.00 N ATOM 142 CA GLU A 11 -4.972 -12.341 -2.738 1.00 10.00 C ATOM 143 C GLU A 11 -4.230 -11.221 -2.007 1.00 10.00 C ATOM 144 O GLU A 11 -3.255 -11.460 -1.302 1.00 10.00 O ATOM 145 CB GLU A 11 -4.668 -12.273 -4.244 1.00 10.00 C ATOM 146 CG GLU A 11 -4.345 -13.640 -4.864 1.00 10.00 C ATOM 147 CD GLU A 11 -5.593 -14.453 -5.158 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.411 -13.944 -5.957 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.702 -15.560 -4.588 1.00 10.00 O ATOM 0 H GLU A 11 -6.979 -12.232 -3.323 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.637 -13.311 -2.371 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.525 -11.842 -4.761 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.826 -11.600 -4.407 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.785 -13.494 -5.787 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.701 -14.200 -4.186 1.00 10.00 H new ATOM 156 N ILE A 12 -4.705 -9.988 -2.169 1.00 10.00 N ATOM 157 CA ILE A 12 -4.077 -8.839 -1.545 1.00 10.00 C ATOM 158 C ILE A 12 -4.129 -8.963 -0.014 1.00 10.00 C ATOM 159 O ILE A 12 -3.130 -8.690 0.646 1.00 10.00 O ATOM 160 CB ILE A 12 -4.715 -7.541 -2.075 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.595 -7.428 -3.607 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.041 -6.324 -1.430 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.663 -6.487 -4.175 1.00 10.00 C ATOM 0 H ILE A 12 -5.527 -9.765 -2.731 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.021 -8.803 -1.811 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.773 -7.569 -1.814 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.604 -7.060 -3.871 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.699 -8.415 -4.057 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.498 -5.411 -1.810 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.167 -6.369 -0.348 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.978 -6.326 -1.672 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.555 -6.426 -5.258 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.653 -6.871 -3.930 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.541 -5.494 -3.741 1.00 10.00 H new ATOM 175 N GLN A 13 -5.251 -9.405 0.569 1.00 10.00 N ATOM 176 CA GLN A 13 -5.385 -9.624 2.000 1.00 10.00 C ATOM 177 C GLN A 13 -4.296 -10.560 2.512 1.00 10.00 C ATOM 178 O GLN A 13 -3.680 -10.275 3.534 1.00 10.00 O ATOM 179 CB GLN A 13 -6.772 -10.178 2.363 1.00 10.00 C ATOM 180 CG GLN A 13 -7.789 -9.077 2.690 1.00 10.00 C ATOM 181 CD GLN A 13 -8.871 -9.527 3.672 1.00 10.00 C ATOM 182 OE1 GLN A 13 -8.621 -10.314 4.579 1.00 10.00 O ATOM 183 NE2 GLN A 13 -10.083 -8.998 3.538 1.00 10.00 N ATOM 0 H GLN A 13 -6.099 -9.621 0.045 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.272 -8.654 2.485 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.147 -10.777 1.533 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.678 -10.845 3.220 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.263 -8.218 3.108 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.262 -8.743 1.767 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -10.273 -8.345 2.778 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -10.823 -9.245 4.195 1.00 10.00 H new ATOM 192 N LYS A 14 -4.025 -11.662 1.809 1.00 10.00 N ATOM 193 CA LYS A 14 -2.939 -12.554 2.205 1.00 10.00 C ATOM 194 C LYS A 14 -1.584 -11.828 2.305 1.00 10.00 C ATOM 195 O LYS A 14 -0.678 -12.303 2.992 1.00 10.00 O ATOM 196 CB LYS A 14 -2.842 -13.739 1.237 1.00 10.00 C ATOM 197 CG LYS A 14 -3.975 -14.768 1.407 1.00 10.00 C ATOM 198 CD LYS A 14 -3.411 -16.183 1.651 1.00 10.00 C ATOM 199 CE LYS A 14 -4.168 -17.252 0.851 1.00 10.00 C ATOM 200 NZ LYS A 14 -3.428 -18.531 0.815 1.00 10.00 N ATOM 0 H LYS A 14 -4.535 -11.953 0.975 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.176 -12.923 3.203 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.854 -13.363 0.214 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.884 -14.238 1.382 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.611 -14.478 2.243 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.603 -14.772 0.516 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -2.356 -16.205 1.377 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.469 -16.418 2.714 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.150 -17.412 1.295 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -4.332 -16.897 -0.167 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -3.969 -19.230 0.266 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -2.500 -18.383 0.369 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -3.293 -18.882 1.785 1.00 10.00 H new ATOM 214 N HIS A 15 -1.422 -10.697 1.614 1.00 10.00 N ATOM 215 CA HIS A 15 -0.195 -9.922 1.580 1.00 10.00 C ATOM 216 C HIS A 15 -0.345 -8.710 2.512 1.00 10.00 C ATOM 217 O HIS A 15 -0.584 -7.587 2.067 1.00 10.00 O ATOM 218 CB HIS A 15 0.149 -9.548 0.126 1.00 10.00 C ATOM 219 CG HIS A 15 0.577 -10.702 -0.751 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.701 -10.734 -1.546 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.097 -11.875 -0.961 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.708 -11.906 -2.201 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.642 -12.647 -1.863 1.00 10.00 N ATOM 0 H HIS A 15 -2.167 -10.290 1.049 1.00 10.00 H new ATOM 0 HA HIS A 15 0.649 -10.506 1.948 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.722 -9.073 -0.326 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.947 -8.806 0.138 1.00 10.00 H new ATOM 0 HD1 HIS A 15 2.403 -9.998 -1.623 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.037 -12.156 -0.508 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.469 -12.211 -2.905 1.00 10.00 H new ATOM 231 N ASN A 16 -0.133 -8.934 3.816 1.00 10.00 N ATOM 232 CA ASN A 16 -0.166 -7.897 4.848 1.00 10.00 C ATOM 233 C ASN A 16 1.036 -7.972 5.806 1.00 10.00 C ATOM 234 O ASN A 16 2.006 -7.209 5.696 1.00 10.00 O ATOM 235 CB ASN A 16 -1.518 -7.928 5.589 1.00 10.00 C ATOM 236 CG ASN A 16 -2.034 -9.320 5.949 1.00 10.00 C ATOM 237 OD1 ASN A 16 -1.273 -10.286 5.996 1.00 10.00 O ATOM 238 ND2 ASN A 16 -3.331 -9.442 6.197 1.00 10.00 N ATOM 0 H ASN A 16 0.070 -9.862 4.187 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.075 -6.930 4.353 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.425 -7.345 6.505 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.264 -7.431 4.970 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.721 -10.354 6.434 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.938 -8.624 6.151 1.00 10.00 H new ATOM 292 N SER A 20 4.042 -10.134 2.428 1.00 10.00 N ATOM 293 CA SER A 20 4.452 -8.868 1.860 1.00 10.00 C ATOM 294 C SER A 20 3.399 -7.823 2.197 1.00 10.00 C ATOM 295 O SER A 20 2.230 -8.121 2.033 1.00 10.00 O ATOM 296 CB SER A 20 4.582 -9.026 0.344 1.00 10.00 C ATOM 297 OG SER A 20 5.469 -10.087 0.037 1.00 10.00 O ATOM 0 HA SER A 20 5.413 -8.554 2.267 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.603 -9.222 -0.094 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.947 -8.098 -0.096 1.00 10.00 H new ATOM 0 HG SER A 20 5.332 -10.822 0.671 1.00 10.00 H new ATOM 303 N THR A 21 3.762 -6.634 2.671 1.00 10.00 N ATOM 304 CA THR A 21 2.796 -5.562 2.896 1.00 10.00 C ATOM 305 C THR A 21 2.283 -4.984 1.574 1.00 10.00 C ATOM 306 O THR A 21 2.873 -4.049 1.027 1.00 10.00 O ATOM 307 CB THR A 21 3.438 -4.516 3.808 1.00 10.00 C ATOM 308 OG1 THR A 21 3.770 -5.217 4.992 1.00 10.00 O ATOM 309 CG2 THR A 21 2.510 -3.358 4.180 1.00 10.00 C ATOM 0 H THR A 21 4.723 -6.388 2.908 1.00 10.00 H new ATOM 0 HA THR A 21 1.909 -5.951 3.396 1.00 10.00 H new ATOM 0 HB THR A 21 4.285 -4.064 3.291 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.052 -5.848 5.211 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.040 -2.660 4.828 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.192 -2.842 3.274 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.636 -3.746 4.703 1.00 10.00 H new ATOM 317 N TRP A 22 1.171 -5.543 1.084 1.00 10.00 N ATOM 318 CA TRP A 22 0.381 -4.992 -0.004 1.00 10.00 C ATOM 319 C TRP A 22 -0.824 -4.270 0.592 1.00 10.00 C ATOM 320 O TRP A 22 -0.976 -4.239 1.810 1.00 10.00 O ATOM 321 CB TRP A 22 -0.077 -6.115 -0.933 1.00 10.00 C ATOM 322 CG TRP A 22 0.978 -6.857 -1.693 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.310 -6.836 -1.470 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.789 -7.732 -2.839 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.958 -7.600 -2.415 1.00 10.00 N ATOM 326 CE2 TRP A 22 2.067 -8.153 -3.308 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.341 -8.205 -3.533 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.219 -8.965 -4.439 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.205 -9.066 -4.633 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.072 -9.415 -5.112 1.00 10.00 C ATOM 0 H TRP A 22 0.791 -6.416 1.449 1.00 10.00 H new ATOM 0 HA TRP A 22 0.979 -4.290 -0.586 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.634 -6.838 -0.337 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.776 -5.691 -1.654 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.795 -6.299 -0.669 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.968 -7.739 -2.449 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.327 -7.901 -3.214 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.203 -9.241 -4.788 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.086 -9.463 -5.115 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.169 -10.028 -5.996 1.00 10.00 H new ATOM 341 N LEU A 23 -1.661 -3.660 -0.251 1.00 10.00 N ATOM 342 CA LEU A 23 -2.806 -2.835 0.125 1.00 10.00 C ATOM 343 C LEU A 23 -3.400 -2.236 -1.147 1.00 10.00 C ATOM 344 O LEU A 23 -2.776 -2.352 -2.202 1.00 10.00 O ATOM 345 CB LEU A 23 -2.433 -1.748 1.147 1.00 10.00 C ATOM 346 CG LEU A 23 -1.058 -1.093 0.920 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.071 -0.113 -0.249 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.636 -0.358 2.186 1.00 10.00 C ATOM 0 H LEU A 23 -1.551 -3.733 -1.262 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.549 -3.458 0.622 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.198 -0.971 1.126 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.451 -2.186 2.145 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.350 -1.886 0.680 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.079 0.323 -0.369 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.349 -0.639 -1.162 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.794 0.679 -0.052 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.337 0.107 2.029 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.372 0.411 2.423 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.571 -1.065 3.013 1.00 10.00 H new ATOM 360 N ILE A 24 -4.587 -1.623 -1.053 1.00 10.00 N ATOM 361 CA ILE A 24 -5.297 -1.046 -2.197 1.00 10.00 C ATOM 362 C ILE A 24 -5.442 0.463 -1.990 1.00 10.00 C ATOM 363 O ILE A 24 -6.120 0.905 -1.056 1.00 10.00 O ATOM 364 CB ILE A 24 -6.667 -1.723 -2.382 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.485 -3.218 -2.691 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.458 -1.085 -3.538 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.712 -4.019 -2.243 1.00 10.00 C ATOM 0 H ILE A 24 -5.085 -1.514 -0.170 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.725 -1.221 -3.108 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.220 -1.591 -1.452 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.325 -3.356 -3.760 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.595 -3.593 -2.185 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.420 -1.587 -3.641 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.621 -0.028 -3.328 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.894 -1.188 -4.465 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.561 -5.074 -2.472 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.854 -3.897 -1.169 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.595 -3.657 -2.769 1.00 10.00 H new ATOM 379 N LEU A 25 -4.802 1.243 -2.869 1.00 10.00 N ATOM 380 CA LEU A 25 -4.878 2.697 -2.920 1.00 10.00 C ATOM 381 C LEU A 25 -5.501 3.069 -4.263 1.00 10.00 C ATOM 382 O LEU A 25 -4.821 3.068 -5.281 1.00 10.00 O ATOM 383 CB LEU A 25 -3.475 3.311 -2.772 1.00 10.00 C ATOM 384 CG LEU A 25 -2.908 3.560 -1.371 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.597 2.725 -0.317 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.388 3.372 -1.360 1.00 10.00 C ATOM 0 H LEU A 25 -4.194 0.857 -3.591 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.485 3.085 -2.102 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.776 2.660 -3.297 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.478 4.266 -3.298 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.114 4.598 -1.111 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.160 2.937 0.659 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.660 2.967 -0.299 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.469 1.668 -0.550 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.006 3.554 -0.355 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.145 2.353 -1.662 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.929 4.075 -2.055 1.00 10.00 H new ATOM 398 N HIS A 26 -6.797 3.381 -4.274 1.00 10.00 N ATOM 399 CA HIS A 26 -7.528 3.828 -5.457 1.00 10.00 C ATOM 400 C HIS A 26 -7.575 2.722 -6.516 1.00 10.00 C ATOM 401 O HIS A 26 -7.218 2.939 -7.672 1.00 10.00 O ATOM 402 CB HIS A 26 -6.965 5.144 -6.025 1.00 10.00 C ATOM 403 CG HIS A 26 -6.709 6.215 -4.995 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.605 7.153 -4.534 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.524 6.421 -4.346 1.00 10.00 C ATOM 406 CE1 HIS A 26 -6.964 7.903 -3.617 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.694 7.493 -3.466 1.00 10.00 N ATOM 0 H HIS A 26 -7.381 3.328 -3.439 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.552 4.041 -5.150 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.032 4.929 -6.546 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.663 5.532 -6.767 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.616 5.855 -4.488 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.411 8.724 -3.076 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -4.994 7.885 -2.836 1.00 10.00 H new ATOM 415 N TYR A 27 -8.014 1.525 -6.110 1.00 10.00 N ATOM 416 CA TYR A 27 -8.141 0.356 -6.977 1.00 10.00 C ATOM 417 C TYR A 27 -6.798 -0.072 -7.576 1.00 10.00 C ATOM 418 O TYR A 27 -6.762 -0.736 -8.613 1.00 10.00 O ATOM 419 CB TYR A 27 -9.187 0.616 -8.073 1.00 10.00 C ATOM 420 CG TYR A 27 -10.530 1.132 -7.589 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.195 0.487 -6.529 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.186 2.155 -8.298 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.541 0.777 -6.261 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.513 2.494 -7.979 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.193 1.800 -6.964 1.00 10.00 C ATOM 426 OH TYR A 27 -14.487 2.102 -6.668 1.00 10.00 O ATOM 0 H TYR A 27 -8.296 1.342 -5.147 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.483 -0.476 -6.361 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.775 1.336 -8.780 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.351 -0.312 -8.621 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.668 -0.233 -5.921 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.670 2.680 -9.088 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.076 0.212 -5.512 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.010 3.289 -8.515 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.792 2.834 -7.244 1.00 10.00 H new ATOM 436 N LYS A 28 -5.692 0.301 -6.927 1.00 10.00 N ATOM 437 CA LYS A 28 -4.345 0.035 -7.393 1.00 10.00 C ATOM 438 C LYS A 28 -3.559 -0.583 -6.245 1.00 10.00 C ATOM 439 O LYS A 28 -3.600 -0.070 -5.126 1.00 10.00 O ATOM 440 CB LYS A 28 -3.696 1.330 -7.881 1.00 10.00 C ATOM 441 CG LYS A 28 -4.499 1.999 -9.002 1.00 10.00 C ATOM 442 CD LYS A 28 -3.630 2.112 -10.245 1.00 10.00 C ATOM 443 CE LYS A 28 -4.448 2.704 -11.392 1.00 10.00 C ATOM 444 NZ LYS A 28 -3.669 2.733 -12.638 1.00 10.00 N ATOM 0 H LYS A 28 -5.718 0.808 -6.042 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.358 -0.659 -8.233 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.599 2.022 -7.045 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.688 1.117 -8.237 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.394 1.416 -9.222 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -4.832 2.988 -8.686 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.765 2.742 -10.040 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.250 1.130 -10.526 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.353 2.115 -11.539 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.764 3.715 -11.134 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.037 3.480 -13.260 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.671 2.926 -12.419 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.747 1.813 -13.118 1.00 10.00 H new ATOM 458 N VAL A 29 -2.894 -1.706 -6.524 1.00 10.00 N ATOM 459 CA VAL A 29 -2.119 -2.449 -5.549 1.00 10.00 C ATOM 460 C VAL A 29 -0.651 -2.012 -5.598 1.00 10.00 C ATOM 461 O VAL A 29 -0.084 -1.807 -6.677 1.00 10.00 O ATOM 462 CB VAL A 29 -2.285 -3.962 -5.764 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.972 -4.721 -4.471 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.709 -4.323 -6.193 1.00 10.00 C ATOM 0 H VAL A 29 -2.884 -2.126 -7.454 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.493 -2.228 -4.549 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.591 -4.246 -6.555 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.094 -5.791 -4.639 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.945 -4.516 -4.168 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.654 -4.397 -3.685 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.784 -5.401 -6.334 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.412 -4.008 -5.422 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -3.946 -3.817 -7.129 1.00 10.00 H new ATOM 474 N TYR A 30 -0.048 -1.875 -4.415 1.00 10.00 N ATOM 475 CA TYR A 30 1.313 -1.404 -4.205 1.00 10.00 C ATOM 476 C TYR A 30 1.998 -2.351 -3.226 1.00 10.00 C ATOM 477 O TYR A 30 1.526 -2.472 -2.098 1.00 10.00 O ATOM 478 CB TYR A 30 1.244 0.007 -3.610 1.00 10.00 C ATOM 479 CG TYR A 30 0.658 1.024 -4.566 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.457 1.586 -5.575 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.722 1.294 -4.542 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.881 2.438 -6.533 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.279 2.185 -5.473 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.476 2.771 -6.458 1.00 10.00 C ATOM 485 OH TYR A 30 -1.005 3.663 -7.343 1.00 10.00 O ATOM 0 H TYR A 30 -0.521 -2.101 -3.540 1.00 10.00 H new ATOM 0 HA TYR A 30 1.873 -1.378 -5.140 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.643 -0.017 -2.701 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.246 0.323 -3.322 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.513 1.364 -5.615 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.353 0.816 -3.807 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.489 2.838 -7.331 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.332 2.419 -5.429 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.959 3.783 -7.155 1.00 10.00 H new ATOM 495 N ASP A 31 3.090 -3.008 -3.635 1.00 10.00 N ATOM 496 CA ASP A 31 3.901 -3.797 -2.712 1.00 10.00 C ATOM 497 C ASP A 31 4.972 -2.900 -2.122 1.00 10.00 C ATOM 498 O ASP A 31 5.947 -2.608 -2.807 1.00 10.00 O ATOM 499 CB ASP A 31 4.612 -4.964 -3.405 1.00 10.00 C ATOM 500 CG ASP A 31 5.539 -5.687 -2.427 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.385 -5.476 -1.200 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.361 -6.489 -2.912 1.00 10.00 O ATOM 0 H ASP A 31 3.428 -3.006 -4.597 1.00 10.00 H new ATOM 0 HA ASP A 31 3.230 -4.201 -1.954 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.875 -5.663 -3.800 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.187 -4.594 -4.254 1.00 10.00 H new ATOM 507 N LEU A 32 4.826 -2.488 -0.865 1.00 10.00 N ATOM 508 CA LEU A 32 5.834 -1.679 -0.205 1.00 10.00 C ATOM 509 C LEU A 32 6.514 -2.505 0.881 1.00 10.00 C ATOM 510 O LEU A 32 7.063 -1.948 1.830 1.00 10.00 O ATOM 511 CB LEU A 32 5.202 -0.407 0.358 1.00 10.00 C ATOM 512 CG LEU A 32 4.314 0.329 -0.669 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.934 0.601 -0.061 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.035 1.592 -1.155 1.00 10.00 C ATOM 0 H LEU A 32 4.015 -2.705 -0.286 1.00 10.00 H new ATOM 0 HA LEU A 32 6.594 -1.373 -0.924 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.603 -0.661 1.232 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.990 0.265 0.697 1.00 10.00 H new ATOM 0 HG LEU A 32 4.143 -0.291 -1.549 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.311 1.120 -0.789 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.463 -0.344 0.210 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.044 1.220 0.829 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.409 2.112 -1.880 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.230 2.248 -0.307 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.979 1.314 -1.624 1.00 10.00 H new ATOM 526 N THR A 33 6.482 -3.836 0.767 1.00 10.00 N ATOM 527 CA THR A 33 6.966 -4.682 1.841 1.00 10.00 C ATOM 528 C THR A 33 8.438 -4.465 2.135 1.00 10.00 C ATOM 529 O THR A 33 8.855 -4.565 3.285 1.00 10.00 O ATOM 530 CB THR A 33 6.688 -6.150 1.547 1.00 10.00 C ATOM 531 OG1 THR A 33 6.684 -6.796 2.805 1.00 10.00 O ATOM 532 CG2 THR A 33 7.675 -6.810 0.573 1.00 10.00 C ATOM 0 H THR A 33 6.130 -4.337 -0.049 1.00 10.00 H new ATOM 0 HA THR A 33 6.416 -4.394 2.737 1.00 10.00 H new ATOM 0 HB THR A 33 5.734 -6.240 1.027 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.265 -7.585 2.770 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.397 -7.854 0.425 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.647 -6.288 -0.383 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.683 -6.758 0.985 1.00 10.00 H new ATOM 540 N LYS A 34 9.216 -4.193 1.089 1.00 10.00 N ATOM 541 CA LYS A 34 10.624 -3.890 1.205 1.00 10.00 C ATOM 542 C LYS A 34 10.805 -2.368 1.201 1.00 10.00 C ATOM 543 O LYS A 34 11.797 -1.857 0.686 1.00 10.00 O ATOM 544 CB LYS A 34 11.358 -4.584 0.050 1.00 10.00 C ATOM 545 CG LYS A 34 12.833 -4.755 0.415 1.00 10.00 C ATOM 546 CD LYS A 34 13.702 -4.805 -0.844 1.00 10.00 C ATOM 547 CE LYS A 34 15.188 -4.755 -0.461 1.00 10.00 C ATOM 548 NZ LYS A 34 15.999 -4.095 -1.503 1.00 10.00 N ATOM 0 H LYS A 34 8.873 -4.179 0.129 1.00 10.00 H new ATOM 0 HA LYS A 34 11.047 -4.260 2.139 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.907 -5.556 -0.151 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.264 -3.994 -0.862 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.153 -3.929 1.051 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.966 -5.671 0.991 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.493 -5.717 -1.404 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.458 -3.967 -1.497 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.303 -4.221 0.482 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.557 -5.768 -0.300 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 16.996 -4.080 -1.209 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.909 -4.619 -2.397 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.663 -3.120 -1.638 1.00 10.00 H new ATOM 562 N PHE A 35 9.817 -1.644 1.736 1.00 10.00 N ATOM 563 CA PHE A 35 9.828 -0.200 1.864 1.00 10.00 C ATOM 564 C PHE A 35 9.224 0.219 3.204 1.00 10.00 C ATOM 565 O PHE A 35 8.904 1.389 3.393 1.00 10.00 O ATOM 566 CB PHE A 35 9.055 0.415 0.692 1.00 10.00 C ATOM 567 CG PHE A 35 9.600 1.724 0.143 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.971 1.867 -0.153 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.717 2.784 -0.141 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.454 3.069 -0.698 1.00 10.00 C ATOM 571 CE2 PHE A 35 9.197 3.971 -0.722 1.00 10.00 C ATOM 572 CZ PHE A 35 10.567 4.117 -0.993 1.00 10.00 C ATOM 0 H PHE A 35 8.965 -2.069 2.101 1.00 10.00 H new ATOM 0 HA PHE A 35 10.855 0.163 1.837 1.00 10.00 H new ATOM 0 HB2 PHE A 35 9.027 -0.312 -0.120 1.00 10.00 H new ATOM 0 HB3 PHE A 35 8.025 0.578 1.009 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.652 1.051 0.040 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.666 2.685 0.089 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.510 3.187 -0.890 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.512 4.771 -0.960 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.938 5.034 -1.427 1.00 10.00 H new ATOM 582 N LEU A 36 9.045 -0.721 4.136 1.00 10.00 N ATOM 583 CA LEU A 36 8.463 -0.422 5.430 1.00 10.00 C ATOM 584 C LEU A 36 9.397 0.501 6.203 1.00 10.00 C ATOM 585 O LEU A 36 9.011 1.618 6.541 1.00 10.00 O ATOM 586 CB LEU A 36 8.200 -1.723 6.190 1.00 10.00 C ATOM 587 CG LEU A 36 7.151 -2.608 5.509 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.141 -3.971 6.199 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.764 -1.967 5.592 1.00 10.00 C ATOM 0 H LEU A 36 9.300 -1.700 4.009 1.00 10.00 H new ATOM 0 HA LEU A 36 7.509 0.089 5.303 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.133 -2.279 6.282 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.868 -1.487 7.201 1.00 10.00 H new ATOM 0 HG LEU A 36 7.404 -2.724 4.455 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.399 -4.613 5.725 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.126 -4.430 6.112 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.891 -3.844 7.252 1.00 10.00 H new ATOM 0 HD21 LEU A 36 5.035 -2.612 5.102 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.486 -1.834 6.638 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.781 -0.997 5.095 1.00 10.00 H new ATOM 601 N GLU A 37 10.628 0.052 6.457 1.00 10.00 N ATOM 602 CA GLU A 37 11.611 0.842 7.183 1.00 10.00 C ATOM 603 C GLU A 37 11.935 2.135 6.424 1.00 10.00 C ATOM 604 O GLU A 37 12.262 3.155 7.029 1.00 10.00 O ATOM 605 CB GLU A 37 12.864 0.001 7.479 1.00 10.00 C ATOM 606 CG GLU A 37 13.511 -0.647 6.242 1.00 10.00 C ATOM 607 CD GLU A 37 13.015 -2.065 6.003 1.00 10.00 C ATOM 608 OE1 GLU A 37 11.870 -2.173 5.505 1.00 10.00 O ATOM 609 OE2 GLU A 37 13.786 -3.000 6.311 1.00 10.00 O ATOM 0 H GLU A 37 10.965 -0.865 6.165 1.00 10.00 H new ATOM 0 HA GLU A 37 11.191 1.138 8.144 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.603 0.635 7.969 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.599 -0.784 8.187 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.299 -0.038 5.363 1.00 10.00 H new ATOM 0 HG3 GLU A 37 14.594 -0.660 6.367 1.00 10.00 H new ATOM 616 N GLU A 38 11.837 2.085 5.093 1.00 10.00 N ATOM 617 CA GLU A 38 12.121 3.194 4.202 1.00 10.00 C ATOM 618 C GLU A 38 11.019 4.258 4.308 1.00 10.00 C ATOM 619 O GLU A 38 11.309 5.454 4.315 1.00 10.00 O ATOM 620 CB GLU A 38 12.251 2.642 2.777 1.00 10.00 C ATOM 621 CG GLU A 38 13.384 1.603 2.632 1.00 10.00 C ATOM 622 CD GLU A 38 14.548 2.103 1.783 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.306 2.356 0.583 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.662 2.204 2.338 1.00 10.00 O ATOM 0 H GLU A 38 11.548 1.241 4.598 1.00 10.00 H new ATOM 0 HA GLU A 38 13.056 3.681 4.479 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.306 2.184 2.483 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.433 3.468 2.089 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.753 1.336 3.622 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.981 0.694 2.186 1.00 10.00 H new ATOM 631 N HIS A 39 9.746 3.847 4.362 1.00 10.00 N ATOM 632 CA HIS A 39 8.632 4.786 4.362 1.00 10.00 C ATOM 633 C HIS A 39 8.565 5.563 5.692 1.00 10.00 C ATOM 634 O HIS A 39 8.409 4.963 6.757 1.00 10.00 O ATOM 635 CB HIS A 39 7.312 4.070 4.053 1.00 10.00 C ATOM 636 CG HIS A 39 6.104 4.982 4.126 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.546 5.424 5.295 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.385 5.539 3.096 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.509 6.214 4.983 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.357 6.326 3.653 1.00 10.00 N ATOM 0 H HIS A 39 9.468 2.867 4.406 1.00 10.00 H new ATOM 0 HA HIS A 39 8.800 5.515 3.569 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.369 3.633 3.056 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.180 3.247 4.755 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.575 5.398 2.042 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.875 6.700 5.710 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.650 6.865 3.153 1.00 10.00 H new ATOM 648 N PRO A 40 8.583 6.905 5.647 1.00 10.00 N ATOM 649 CA PRO A 40 8.760 7.761 6.816 1.00 10.00 C ATOM 650 C PRO A 40 7.674 7.579 7.881 1.00 10.00 C ATOM 651 O PRO A 40 7.967 7.638 9.071 1.00 10.00 O ATOM 652 CB PRO A 40 8.808 9.195 6.276 1.00 10.00 C ATOM 653 CG PRO A 40 8.112 9.104 4.919 1.00 10.00 C ATOM 654 CD PRO A 40 8.453 7.702 4.440 1.00 10.00 C ATOM 0 HA PRO A 40 9.677 7.497 7.342 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.295 9.889 6.942 1.00 10.00 H new ATOM 0 HB3 PRO A 40 9.834 9.549 6.175 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.035 9.247 5.010 1.00 10.00 H new ATOM 0 HG3 PRO A 40 8.477 9.864 4.229 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.672 7.307 3.791 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.378 7.697 3.864 1.00 10.00 H new ATOM 662 N GLY A 41 6.423 7.358 7.464 1.00 10.00 N ATOM 663 CA GLY A 41 5.287 7.186 8.369 1.00 10.00 C ATOM 664 C GLY A 41 5.487 6.128 9.462 1.00 10.00 C ATOM 665 O GLY A 41 4.824 6.204 10.494 1.00 10.00 O ATOM 0 H GLY A 41 6.170 7.293 6.478 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.072 8.143 8.845 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.409 6.918 7.781 1.00 10.00 H new ATOM 669 N GLY A 42 6.365 5.140 9.247 1.00 10.00 N ATOM 670 CA GLY A 42 6.747 4.195 10.288 1.00 10.00 C ATOM 671 C GLY A 42 6.046 2.843 10.150 1.00 10.00 C ATOM 672 O GLY A 42 4.854 2.763 9.835 1.00 10.00 O ATOM 0 H GLY A 42 6.824 4.979 8.351 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.826 4.044 10.257 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.513 4.622 11.263 1.00 10.00 H new ATOM 676 N GLU A 43 6.799 1.767 10.399 1.00 10.00 N ATOM 677 CA GLU A 43 6.325 0.399 10.280 1.00 10.00 C ATOM 678 C GLU A 43 5.301 0.078 11.366 1.00 10.00 C ATOM 679 O GLU A 43 5.603 -0.481 12.417 1.00 10.00 O ATOM 680 CB GLU A 43 7.478 -0.590 10.403 1.00 10.00 C ATOM 681 CG GLU A 43 8.728 -0.218 9.610 1.00 10.00 C ATOM 682 CD GLU A 43 9.668 -1.416 9.557 1.00 10.00 C ATOM 683 OE1 GLU A 43 9.197 -2.480 9.097 1.00 10.00 O ATOM 684 OE2 GLU A 43 10.810 -1.258 10.036 1.00 10.00 O ATOM 0 H GLU A 43 7.773 1.832 10.694 1.00 10.00 H new ATOM 0 HA GLU A 43 5.862 0.306 9.298 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.747 -0.684 11.455 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.134 -1.570 10.073 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.454 0.088 8.600 1.00 10.00 H new ATOM 0 HG3 GLU A 43 9.229 0.631 10.076 1.00 10.00 H new ATOM 691 N ALA A 44 4.064 0.428 11.076 1.00 10.00 N ATOM 692 CA ALA A 44 2.914 0.197 11.924 1.00 10.00 C ATOM 693 C ALA A 44 1.714 0.632 11.116 1.00 10.00 C ATOM 694 O ALA A 44 0.873 -0.190 10.772 1.00 10.00 O ATOM 695 CB ALA A 44 3.022 0.987 13.233 1.00 10.00 C ATOM 0 H ALA A 44 3.824 0.902 10.205 1.00 10.00 H new ATOM 0 HA ALA A 44 2.837 -0.851 12.214 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.144 0.793 13.849 1.00 10.00 H new ATOM 0 HB2 ALA A 44 3.918 0.678 13.771 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.081 2.053 13.011 1.00 10.00 H new ATOM 701 N VAL A 45 1.674 1.910 10.740 1.00 10.00 N ATOM 702 CA VAL A 45 0.575 2.412 9.942 1.00 10.00 C ATOM 703 C VAL A 45 0.540 1.671 8.601 1.00 10.00 C ATOM 704 O VAL A 45 -0.518 1.155 8.234 1.00 10.00 O ATOM 705 CB VAL A 45 0.604 3.948 9.869 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.631 4.494 8.875 1.00 10.00 C ATOM 707 CG2 VAL A 45 -0.791 4.497 9.547 1.00 10.00 C ATOM 0 H VAL A 45 2.384 2.603 10.976 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.384 2.198 10.414 1.00 10.00 H new ATOM 0 HB VAL A 45 0.916 4.292 10.855 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.595 5.583 8.877 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.629 4.163 9.164 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.402 4.125 7.875 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -0.752 5.585 9.499 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.124 4.103 8.587 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.490 4.193 10.326 1.00 10.00 H new ATOM 717 N LEU A 46 1.679 1.524 7.895 1.00 10.00 N ATOM 718 CA LEU A 46 1.607 0.807 6.623 1.00 10.00 C ATOM 719 C LEU A 46 1.275 -0.675 6.811 1.00 10.00 C ATOM 720 O LEU A 46 0.642 -1.276 5.949 1.00 10.00 O ATOM 721 CB LEU A 46 2.893 1.003 5.820 1.00 10.00 C ATOM 722 CG LEU A 46 3.237 2.501 5.785 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.542 2.757 6.541 1.00 10.00 C ATOM 724 CD2 LEU A 46 3.198 3.043 4.356 1.00 10.00 C ATOM 0 H LEU A 46 2.600 1.869 8.166 1.00 10.00 H new ATOM 0 HA LEU A 46 0.783 1.235 6.051 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.709 0.440 6.273 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.766 0.622 4.807 1.00 10.00 H new ATOM 0 HG LEU A 46 2.474 3.073 6.313 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.777 3.821 6.511 1.00 10.00 H new ATOM 0 HD12 LEU A 46 4.430 2.440 7.578 1.00 10.00 H new ATOM 0 HD13 LEU A 46 5.350 2.193 6.074 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.445 4.105 4.363 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.922 2.506 3.743 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.199 2.906 3.942 1.00 10.00 H new ATOM 736 N ARG A 47 1.703 -1.262 7.932 1.00 10.00 N ATOM 737 CA ARG A 47 1.574 -2.688 8.204 1.00 10.00 C ATOM 738 C ARG A 47 0.167 -3.041 8.710 1.00 10.00 C ATOM 739 O ARG A 47 -0.315 -4.142 8.460 1.00 10.00 O ATOM 740 CB ARG A 47 2.704 -3.106 9.154 1.00 10.00 C ATOM 741 CG ARG A 47 2.776 -4.625 9.402 1.00 10.00 C ATOM 742 CD ARG A 47 4.168 -5.225 9.127 1.00 10.00 C ATOM 743 NE ARG A 47 4.207 -5.931 7.832 1.00 10.00 N ATOM 744 CZ ARG A 47 5.256 -6.617 7.347 1.00 10.00 C ATOM 745 NH1 ARG A 47 6.416 -6.624 8.013 1.00 10.00 N ATOM 746 NH2 ARG A 47 5.124 -7.305 6.208 1.00 10.00 N ATOM 0 H ARG A 47 2.156 -0.747 8.687 1.00 10.00 H new ATOM 0 HA ARG A 47 1.684 -3.263 7.284 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.655 -2.769 8.743 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.571 -2.597 10.109 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.498 -4.830 10.436 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.042 -5.124 8.769 1.00 10.00 H new ATOM 0 HD2 ARG A 47 4.915 -4.431 9.132 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.432 -5.916 9.927 1.00 10.00 H new ATOM 0 HE ARG A 47 3.366 -5.895 7.256 1.00 10.00 H new ATOM 0 HH11 ARG A 47 6.504 -6.109 8.889 1.00 10.00 H new ATOM 0 HH12 ARG A 47 7.212 -7.145 7.645 1.00 10.00 H new ATOM 0 HH21 ARG A 47 4.232 -7.307 5.714 1.00 10.00 H new ATOM 0 HH22 ARG A 47 5.916 -7.828 5.834 1.00 10.00 H new ATOM 760 N ALA A 48 -0.497 -2.117 9.407 1.00 10.00 N ATOM 761 CA ALA A 48 -1.820 -2.321 9.984 1.00 10.00 C ATOM 762 C ALA A 48 -2.892 -2.337 8.896 1.00 10.00 C ATOM 763 O ALA A 48 -3.716 -3.244 8.844 1.00 10.00 O ATOM 764 CB ALA A 48 -2.103 -1.215 11.004 1.00 10.00 C ATOM 0 H ALA A 48 -0.119 -1.187 9.588 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.844 -3.288 10.486 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.092 -1.364 11.438 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.352 -1.247 11.793 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.067 -0.245 10.508 1.00 10.00 H new ATOM 770 N GLN A 49 -2.883 -1.318 8.034 1.00 10.00 N ATOM 771 CA GLN A 49 -3.822 -1.201 6.921 1.00 10.00 C ATOM 772 C GLN A 49 -3.470 -2.159 5.776 1.00 10.00 C ATOM 773 O GLN A 49 -4.244 -2.354 4.842 1.00 10.00 O ATOM 774 CB GLN A 49 -3.819 0.258 6.447 1.00 10.00 C ATOM 775 CG GLN A 49 -5.118 0.992 6.815 1.00 10.00 C ATOM 776 CD GLN A 49 -6.329 0.510 6.004 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.278 -0.519 5.346 1.00 10.00 O ATOM 778 NE2 GLN A 49 -7.427 1.254 5.995 1.00 10.00 N ATOM 0 H GLN A 49 -2.218 -0.546 8.091 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.820 -1.482 7.256 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.971 0.780 6.890 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.682 0.287 5.366 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -5.320 0.852 7.877 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.983 2.062 6.655 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -7.466 2.112 6.545 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -8.232 0.968 5.438 1.00 10.00 H new ATOM 787 N ALA A 50 -2.270 -2.733 5.821 1.00 10.00 N ATOM 788 CA ALA A 50 -1.829 -3.715 4.845 1.00 10.00 C ATOM 789 C ALA A 50 -2.874 -4.809 4.617 1.00 10.00 C ATOM 790 O ALA A 50 -3.521 -5.264 5.558 1.00 10.00 O ATOM 791 CB ALA A 50 -0.534 -4.354 5.317 1.00 10.00 C ATOM 0 H ALA A 50 -1.577 -2.526 6.540 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.677 -3.194 3.900 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.204 -5.091 4.585 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.231 -3.586 5.429 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.699 -4.845 6.276 1.00 10.00 H new ATOM 797 N GLY A 51 -3.007 -5.261 3.371 1.00 10.00 N ATOM 798 CA GLY A 51 -4.015 -6.221 2.969 1.00 10.00 C ATOM 799 C GLY A 51 -5.398 -5.676 3.302 1.00 10.00 C ATOM 800 O GLY A 51 -6.169 -6.317 4.011 1.00 10.00 O ATOM 0 H GLY A 51 -2.404 -4.961 2.605 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.938 -6.419 1.900 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.853 -7.170 3.481 1.00 10.00 H new ATOM 804 N GLY A 52 -5.706 -4.486 2.789 1.00 10.00 N ATOM 805 CA GLY A 52 -6.974 -3.831 3.028 1.00 10.00 C ATOM 806 C GLY A 52 -7.097 -2.590 2.151 1.00 10.00 C ATOM 807 O GLY A 52 -6.158 -2.218 1.433 1.00 10.00 O ATOM 0 H GLY A 52 -5.073 -3.953 2.193 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.793 -4.518 2.816 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.056 -3.553 4.079 1.00 10.00 H new ATOM 811 N ASP A 53 -8.275 -1.969 2.206 1.00 10.00 N ATOM 812 CA ASP A 53 -8.571 -0.690 1.600 1.00 10.00 C ATOM 813 C ASP A 53 -7.941 0.395 2.468 1.00 10.00 C ATOM 814 O ASP A 53 -8.502 0.834 3.470 1.00 10.00 O ATOM 815 CB ASP A 53 -10.091 -0.516 1.457 1.00 10.00 C ATOM 816 CG ASP A 53 -10.844 -0.659 2.777 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.611 -1.697 3.441 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.646 0.251 3.077 1.00 10.00 O ATOM 0 H ASP A 53 -9.076 -2.367 2.696 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.154 -0.622 0.595 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.299 0.467 1.033 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.469 -1.254 0.750 1.00 10.00 H new ATOM 823 N ALA A 54 -6.760 0.852 2.055 1.00 10.00 N ATOM 824 CA ALA A 54 -6.056 1.926 2.736 1.00 10.00 C ATOM 825 C ALA A 54 -6.157 3.208 1.930 1.00 10.00 C ATOM 826 O ALA A 54 -5.410 4.146 2.183 1.00 10.00 O ATOM 827 CB ALA A 54 -4.602 1.525 2.963 1.00 10.00 C ATOM 0 H ALA A 54 -6.269 0.486 1.240 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.516 2.105 3.708 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.077 2.332 3.474 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.564 0.624 3.575 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.124 1.332 2.003 1.00 10.00 H new ATOM 833 N THR A 55 -7.067 3.257 0.956 1.00 10.00 N ATOM 834 CA THR A 55 -7.222 4.409 0.092 1.00 10.00 C ATOM 835 C THR A 55 -7.589 5.628 0.946 1.00 10.00 C ATOM 836 O THR A 55 -6.897 6.643 0.912 1.00 10.00 O ATOM 837 CB THR A 55 -8.256 4.073 -0.992 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.889 2.907 -1.713 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.329 5.209 -2.007 1.00 10.00 C ATOM 0 H THR A 55 -7.713 2.495 0.751 1.00 10.00 H new ATOM 0 HA THR A 55 -6.295 4.661 -0.423 1.00 10.00 H new ATOM 0 HB THR A 55 -9.210 3.920 -0.488 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.265 2.374 -1.178 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.064 4.965 -2.774 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.623 6.129 -1.502 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.352 5.345 -2.471 1.00 10.00 H new ATOM 847 N ALA A 56 -8.641 5.492 1.759 1.00 10.00 N ATOM 848 CA ALA A 56 -9.109 6.543 2.653 1.00 10.00 C ATOM 849 C ALA A 56 -8.031 6.950 3.669 1.00 10.00 C ATOM 850 O ALA A 56 -7.870 8.126 3.970 1.00 10.00 O ATOM 851 CB ALA A 56 -10.407 6.090 3.330 1.00 10.00 C ATOM 0 H ALA A 56 -9.195 4.637 1.812 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.319 7.439 2.069 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.761 6.874 4.000 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.164 5.893 2.571 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.221 5.181 3.902 1.00 10.00 H new ATOM 857 N ASN A 57 -7.268 5.993 4.202 1.00 10.00 N ATOM 858 CA ASN A 57 -6.192 6.294 5.146 1.00 10.00 C ATOM 859 C ASN A 57 -5.068 7.074 4.455 1.00 10.00 C ATOM 860 O ASN A 57 -4.607 8.107 4.941 1.00 10.00 O ATOM 861 CB ASN A 57 -5.654 4.999 5.765 1.00 10.00 C ATOM 862 CG ASN A 57 -6.578 4.476 6.860 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.650 3.954 6.576 1.00 10.00 O ATOM 864 ND2 ASN A 57 -6.172 4.577 8.121 1.00 10.00 N ATOM 0 H ASN A 57 -7.377 5.000 3.994 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.594 6.918 5.944 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.544 4.242 4.989 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.662 5.178 6.179 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -6.756 4.216 8.875 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -5.276 5.015 8.335 1.00 10.00 H new ATOM 871 N PHE A 58 -4.613 6.552 3.317 1.00 10.00 N ATOM 872 CA PHE A 58 -3.597 7.163 2.473 1.00 10.00 C ATOM 873 C PHE A 58 -3.951 8.617 2.138 1.00 10.00 C ATOM 874 O PHE A 58 -3.126 9.521 2.317 1.00 10.00 O ATOM 875 CB PHE A 58 -3.466 6.318 1.202 1.00 10.00 C ATOM 876 CG PHE A 58 -2.573 6.903 0.130 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.195 6.641 0.148 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.130 7.649 -0.925 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.370 7.121 -0.881 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.304 8.147 -1.945 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.924 7.878 -1.928 1.00 10.00 C ATOM 0 H PHE A 58 -4.954 5.664 2.949 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.644 7.189 3.002 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.082 5.335 1.476 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.460 6.166 0.782 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.767 6.068 0.957 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.193 7.838 -0.950 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.689 6.909 -0.868 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.729 8.737 -2.743 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.290 8.253 -2.718 1.00 10.00 H new ATOM 891 N GLU A 59 -5.166 8.832 1.622 1.00 10.00 N ATOM 892 CA GLU A 59 -5.613 10.153 1.210 1.00 10.00 C ATOM 893 C GLU A 59 -5.865 11.061 2.418 1.00 10.00 C ATOM 894 O GLU A 59 -5.530 12.241 2.358 1.00 10.00 O ATOM 895 CB GLU A 59 -6.782 10.046 0.222 1.00 10.00 C ATOM 896 CG GLU A 59 -8.084 9.514 0.822 1.00 10.00 C ATOM 897 CD GLU A 59 -9.082 10.619 1.139 1.00 10.00 C ATOM 898 OE1 GLU A 59 -8.944 11.222 2.223 1.00 10.00 O ATOM 899 OE2 GLU A 59 -9.961 10.841 0.280 1.00 10.00 O ATOM 0 H GLU A 59 -5.858 8.096 1.482 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.815 10.650 0.658 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -6.971 11.032 -0.203 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.485 9.395 -0.601 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.538 8.809 0.126 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.859 8.961 1.734 1.00 10.00 H new ATOM 906 N ALA A 60 -6.370 10.503 3.527 1.00 10.00 N ATOM 907 CA ALA A 60 -6.574 11.241 4.771 1.00 10.00 C ATOM 908 C ALA A 60 -5.296 11.962 5.189 1.00 10.00 C ATOM 909 O ALA A 60 -5.321 13.153 5.489 1.00 10.00 O ATOM 910 CB ALA A 60 -7.052 10.309 5.892 1.00 10.00 C ATOM 0 H ALA A 60 -6.648 9.523 3.582 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.349 11.986 4.593 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.196 10.884 6.807 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.995 9.846 5.602 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.305 9.534 6.064 1.00 10.00 H new ATOM 916 N VAL A 61 -4.176 11.236 5.220 1.00 10.00 N ATOM 917 CA VAL A 61 -2.879 11.858 5.454 1.00 10.00 C ATOM 918 C VAL A 61 -2.547 12.803 4.299 1.00 10.00 C ATOM 919 O VAL A 61 -2.166 13.951 4.522 1.00 10.00 O ATOM 920 CB VAL A 61 -1.815 10.771 5.635 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.405 11.355 5.518 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.981 10.112 7.010 1.00 10.00 C ATOM 0 H VAL A 61 -4.145 10.225 5.087 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.904 12.452 6.368 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.948 10.029 4.848 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.330 10.561 5.651 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.278 11.806 4.534 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.261 12.115 6.286 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.223 9.339 7.137 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.866 10.864 7.790 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -2.972 9.664 7.081 1.00 10.00 H new ATOM 932 N GLY A 62 -2.678 12.310 3.066 1.00 10.00 N ATOM 933 CA GLY A 62 -2.387 13.088 1.878 1.00 10.00 C ATOM 934 C GLY A 62 -0.960 12.817 1.421 1.00 10.00 C ATOM 935 O GLY A 62 -0.054 12.630 2.229 1.00 10.00 O ATOM 0 H GLY A 62 -2.990 11.358 2.871 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.088 12.832 1.084 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.516 14.150 2.087 1.00 10.00 H new ATOM 939 N HIS A 63 -0.769 12.751 0.106 1.00 10.00 N ATOM 940 CA HIS A 63 0.483 12.369 -0.516 1.00 10.00 C ATOM 941 C HIS A 63 0.645 13.264 -1.747 1.00 10.00 C ATOM 942 O HIS A 63 -0.201 13.234 -2.639 1.00 10.00 O ATOM 943 CB HIS A 63 0.419 10.869 -0.846 1.00 10.00 C ATOM 944 CG HIS A 63 0.616 9.962 0.356 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.319 9.585 1.304 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.783 9.324 0.675 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.297 8.755 2.172 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.582 8.553 1.825 1.00 10.00 N ATOM 0 H HIS A 63 -1.503 12.968 -0.568 1.00 10.00 H new ATOM 0 HA HIS A 63 1.353 12.508 0.126 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.547 10.648 -1.300 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.181 10.639 -1.591 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.295 9.880 1.340 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.710 9.403 0.127 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.179 8.310 3.033 1.00 10.00 H new ATOM 956 N SER A 64 1.682 14.112 -1.752 1.00 10.00 N ATOM 957 CA SER A 64 1.906 15.113 -2.796 1.00 10.00 C ATOM 958 C SER A 64 2.143 14.453 -4.159 1.00 10.00 C ATOM 959 O SER A 64 2.283 13.238 -4.245 1.00 10.00 O ATOM 960 CB SER A 64 3.079 16.034 -2.411 1.00 10.00 C ATOM 961 OG SER A 64 2.715 17.382 -2.633 1.00 10.00 O ATOM 0 H SER A 64 2.395 14.120 -1.022 1.00 10.00 H new ATOM 0 HA SER A 64 1.006 15.722 -2.883 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.343 15.886 -1.364 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.961 15.783 -3.001 1.00 10.00 H new ATOM 0 HG SER A 64 3.461 17.967 -2.386 1.00 10.00 H new ATOM 967 N THR A 65 2.233 15.251 -5.225 1.00 10.00 N ATOM 968 CA THR A 65 2.428 14.772 -6.591 1.00 10.00 C ATOM 969 C THR A 65 3.590 13.783 -6.670 1.00 10.00 C ATOM 970 O THR A 65 3.422 12.655 -7.129 1.00 10.00 O ATOM 971 CB THR A 65 2.672 15.977 -7.509 1.00 10.00 C ATOM 972 OG1 THR A 65 3.722 16.759 -6.970 1.00 10.00 O ATOM 973 CG2 THR A 65 1.424 16.859 -7.617 1.00 10.00 C ATOM 0 H THR A 65 2.171 16.267 -5.160 1.00 10.00 H new ATOM 0 HA THR A 65 1.533 14.241 -6.916 1.00 10.00 H new ATOM 0 HB THR A 65 2.925 15.603 -8.501 1.00 10.00 H new ATOM 0 HG1 THR A 65 3.886 17.531 -7.551 1.00 10.00 H new ATOM 0 HG21 THR A 65 1.631 17.703 -8.274 1.00 10.00 H new ATOM 0 HG22 THR A 65 0.600 16.275 -8.026 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.152 17.228 -6.628 1.00 10.00 H new ATOM 981 N ASP A 66 4.753 14.211 -6.184 1.00 10.00 N ATOM 982 CA ASP A 66 5.961 13.401 -6.132 1.00 10.00 C ATOM 983 C ASP A 66 5.669 12.039 -5.512 1.00 10.00 C ATOM 984 O ASP A 66 5.935 10.998 -6.100 1.00 10.00 O ATOM 985 CB ASP A 66 7.013 14.146 -5.303 1.00 10.00 C ATOM 986 CG ASP A 66 8.418 13.618 -5.562 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.722 13.352 -6.744 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.165 13.507 -4.568 1.00 10.00 O ATOM 0 H ASP A 66 4.881 15.151 -5.808 1.00 10.00 H new ATOM 0 HA ASP A 66 6.333 13.235 -7.143 1.00 10.00 H new ATOM 0 HB2 ASP A 66 6.975 15.209 -5.540 1.00 10.00 H new ATOM 0 HB3 ASP A 66 6.777 14.047 -4.243 1.00 10.00 H new ATOM 993 N ALA A 67 5.050 12.051 -4.333 1.00 10.00 N ATOM 994 CA ALA A 67 4.657 10.839 -3.616 1.00 10.00 C ATOM 995 C ALA A 67 3.675 9.989 -4.439 1.00 10.00 C ATOM 996 O ALA A 67 3.793 8.764 -4.516 1.00 10.00 O ATOM 997 CB ALA A 67 4.066 11.218 -2.255 1.00 10.00 C ATOM 0 H ALA A 67 4.805 12.911 -3.843 1.00 10.00 H new ATOM 0 HA ALA A 67 5.543 10.225 -3.455 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.773 10.314 -1.721 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.812 11.758 -1.672 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.192 11.852 -2.402 1.00 10.00 H new ATOM 1003 N ARG A 68 2.706 10.650 -5.070 1.00 10.00 N ATOM 1004 CA ARG A 68 1.694 10.065 -5.931 1.00 10.00 C ATOM 1005 C ARG A 68 2.334 9.437 -7.178 1.00 10.00 C ATOM 1006 O ARG A 68 1.762 8.508 -7.752 1.00 10.00 O ATOM 1007 CB ARG A 68 0.639 11.155 -6.215 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.238 10.954 -7.453 1.00 10.00 C ATOM 1009 CD ARG A 68 0.467 11.458 -8.720 1.00 10.00 C ATOM 1010 NE ARG A 68 -0.306 11.179 -9.934 1.00 10.00 N ATOM 1011 CZ ARG A 68 -0.531 9.957 -10.441 1.00 10.00 C ATOM 1012 NH1 ARG A 68 0.001 8.866 -9.872 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -1.321 9.838 -11.515 1.00 10.00 N ATOM 0 H ARG A 68 2.605 11.662 -4.986 1.00 10.00 H new ATOM 0 HA ARG A 68 1.182 9.231 -5.451 1.00 10.00 H new ATOM 0 HB2 ARG A 68 -0.013 11.233 -5.345 1.00 10.00 H new ATOM 0 HB3 ARG A 68 1.154 12.110 -6.314 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.479 9.897 -7.564 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -1.182 11.484 -7.323 1.00 10.00 H new ATOM 0 HD2 ARG A 68 0.635 12.532 -8.637 1.00 10.00 H new ATOM 0 HD3 ARG A 68 1.447 10.988 -8.800 1.00 10.00 H new ATOM 0 HE ARG A 68 -0.704 11.975 -10.432 1.00 10.00 H new ATOM 0 HH11 ARG A 68 0.586 8.958 -9.042 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -0.179 7.944 -10.269 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -1.740 10.668 -11.934 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -1.504 8.917 -11.914 1.00 10.00 H new ATOM 1027 N GLU A 69 3.487 9.936 -7.626 1.00 10.00 N ATOM 1028 CA GLU A 69 4.248 9.374 -8.741 1.00 10.00 C ATOM 1029 C GLU A 69 5.195 8.275 -8.260 1.00 10.00 C ATOM 1030 O GLU A 69 5.403 7.258 -8.920 1.00 10.00 O ATOM 1031 CB GLU A 69 5.004 10.502 -9.442 1.00 10.00 C ATOM 1032 CG GLU A 69 4.149 11.125 -10.550 1.00 10.00 C ATOM 1033 CD GLU A 69 4.163 10.296 -11.832 1.00 10.00 C ATOM 1034 OE1 GLU A 69 3.375 9.323 -11.891 1.00 10.00 O ATOM 1035 OE2 GLU A 69 4.948 10.660 -12.732 1.00 10.00 O ATOM 0 H GLU A 69 3.926 10.759 -7.215 1.00 10.00 H new ATOM 0 HA GLU A 69 3.565 8.910 -9.452 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.280 11.267 -8.716 1.00 10.00 H new ATOM 0 HB3 GLU A 69 5.931 10.116 -9.866 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.122 11.228 -10.198 1.00 10.00 H new ATOM 0 HG3 GLU A 69 4.514 12.129 -10.766 1.00 10.00 H new ATOM 1042 N LEU A 70 5.760 8.454 -7.073 1.00 10.00 N ATOM 1043 CA LEU A 70 6.584 7.449 -6.444 1.00 10.00 C ATOM 1044 C LEU A 70 5.748 6.174 -6.308 1.00 10.00 C ATOM 1045 O LEU A 70 6.147 5.101 -6.750 1.00 10.00 O ATOM 1046 CB LEU A 70 7.125 8.026 -5.130 1.00 10.00 C ATOM 1047 CG LEU A 70 8.114 7.169 -4.331 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.645 5.972 -5.087 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.243 7.995 -3.713 1.00 10.00 C ATOM 0 H LEU A 70 5.655 9.307 -6.523 1.00 10.00 H new ATOM 0 HA LEU A 70 7.461 7.174 -7.030 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.610 8.976 -5.355 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.275 8.247 -4.485 1.00 10.00 H new ATOM 0 HG LEU A 70 7.523 6.760 -3.511 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.337 5.419 -4.452 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.816 5.324 -5.371 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.165 6.309 -5.984 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.913 7.338 -3.159 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.800 8.499 -4.503 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.822 8.738 -3.036 1.00 10.00 H new ATOM 1061 N SER A 71 4.542 6.294 -5.763 1.00 10.00 N ATOM 1062 CA SER A 71 3.616 5.173 -5.688 1.00 10.00 C ATOM 1063 C SER A 71 3.531 4.389 -6.992 1.00 10.00 C ATOM 1064 O SER A 71 3.783 3.190 -6.999 1.00 10.00 O ATOM 1065 CB SER A 71 2.242 5.604 -5.175 1.00 10.00 C ATOM 1066 OG SER A 71 1.522 6.357 -6.127 1.00 10.00 O ATOM 0 H SER A 71 4.183 7.162 -5.365 1.00 10.00 H new ATOM 0 HA SER A 71 4.026 4.481 -4.952 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.665 4.720 -4.904 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.365 6.195 -4.267 1.00 10.00 H new ATOM 0 HG SER A 71 2.126 6.990 -6.569 1.00 10.00 H new ATOM 1072 N LYS A 72 3.232 5.060 -8.101 1.00 10.00 N ATOM 1073 CA LYS A 72 3.272 4.476 -9.435 1.00 10.00 C ATOM 1074 C LYS A 72 4.550 3.645 -9.671 1.00 10.00 C ATOM 1075 O LYS A 72 4.471 2.546 -10.208 1.00 10.00 O ATOM 1076 CB LYS A 72 3.165 5.617 -10.458 1.00 10.00 C ATOM 1077 CG LYS A 72 1.742 5.891 -10.940 1.00 10.00 C ATOM 1078 CD LYS A 72 1.432 5.023 -12.165 1.00 10.00 C ATOM 1079 CE LYS A 72 0.218 5.572 -12.922 1.00 10.00 C ATOM 1080 NZ LYS A 72 0.045 4.900 -14.226 1.00 10.00 N ATOM 0 H LYS A 72 2.951 6.040 -8.096 1.00 10.00 H new ATOM 0 HA LYS A 72 2.436 3.785 -9.546 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.568 6.527 -10.014 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.789 5.378 -11.319 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.031 5.677 -10.142 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.631 6.945 -11.193 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.298 4.996 -12.827 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.238 3.997 -11.851 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.680 5.436 -12.319 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.339 6.644 -13.077 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -0.785 5.295 -14.713 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.893 5.051 -14.809 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.095 3.880 -14.075 1.00 10.00 H new ATOM 1094 N THR A 73 5.724 4.124 -9.253 1.00 10.00 N ATOM 1095 CA THR A 73 6.971 3.359 -9.341 1.00 10.00 C ATOM 1096 C THR A 73 6.916 2.049 -8.535 1.00 10.00 C ATOM 1097 O THR A 73 7.530 1.058 -8.922 1.00 10.00 O ATOM 1098 CB THR A 73 8.175 4.268 -9.008 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.515 5.006 -10.164 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.418 3.532 -8.500 1.00 10.00 C ATOM 0 H THR A 73 5.837 5.052 -8.844 1.00 10.00 H new ATOM 0 HA THR A 73 7.109 3.025 -10.370 1.00 10.00 H new ATOM 0 HB THR A 73 7.855 4.908 -8.186 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.277 5.589 -9.967 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.209 4.253 -8.293 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.172 2.991 -7.586 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.759 2.827 -9.258 1.00 10.00 H new ATOM 1108 N PHE A 74 6.155 2.027 -7.442 1.00 10.00 N ATOM 1109 CA PHE A 74 5.892 0.844 -6.619 1.00 10.00 C ATOM 1110 C PHE A 74 4.677 0.041 -7.081 1.00 10.00 C ATOM 1111 O PHE A 74 4.326 -0.954 -6.444 1.00 10.00 O ATOM 1112 CB PHE A 74 5.672 1.268 -5.163 1.00 10.00 C ATOM 1113 CG PHE A 74 6.958 1.360 -4.395 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.840 2.419 -4.634 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.357 0.282 -3.592 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.069 2.462 -3.964 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.615 0.285 -2.979 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.461 1.390 -3.142 1.00 10.00 C ATOM 0 H PHE A 74 5.687 2.862 -7.091 1.00 10.00 H new ATOM 0 HA PHE A 74 6.766 0.201 -6.718 1.00 10.00 H new ATOM 0 HB2 PHE A 74 5.168 2.234 -5.141 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.010 0.552 -4.675 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.575 3.200 -5.332 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.690 -0.555 -3.446 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.716 3.319 -4.079 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.932 -0.559 -2.384 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.415 1.419 -2.636 1.00 10.00 H new ATOM 1128 N ILE A 75 3.985 0.479 -8.130 1.00 10.00 N ATOM 1129 CA ILE A 75 2.773 -0.196 -8.558 1.00 10.00 C ATOM 1130 C ILE A 75 3.090 -1.645 -8.947 1.00 10.00 C ATOM 1131 O ILE A 75 4.065 -1.894 -9.654 1.00 10.00 O ATOM 1132 CB ILE A 75 2.126 0.617 -9.685 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.611 0.495 -9.585 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.668 0.235 -11.066 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.108 1.332 -10.628 1.00 10.00 C ATOM 0 H ILE A 75 4.243 1.291 -8.691 1.00 10.00 H new ATOM 0 HA ILE A 75 2.048 -0.255 -7.746 1.00 10.00 H new ATOM 0 HB ILE A 75 2.393 1.667 -9.562 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.325 -0.550 -9.702 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.289 0.804 -8.590 1.00 10.00 H new ATOM 0 HG21 ILE A 75 2.178 0.839 -11.829 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.743 0.413 -11.097 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.470 -0.820 -11.256 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.185 1.210 -10.513 1.00 10.00 H new ATOM 0 HD12 ILE A 75 0.154 2.382 -10.496 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.190 1.006 -11.625 1.00 10.00 H new ATOM 1147 N ILE A 76 2.276 -2.603 -8.497 1.00 10.00 N ATOM 1148 CA ILE A 76 2.445 -4.010 -8.861 1.00 10.00 C ATOM 1149 C ILE A 76 1.345 -4.491 -9.808 1.00 10.00 C ATOM 1150 O ILE A 76 1.420 -5.606 -10.326 1.00 10.00 O ATOM 1151 CB ILE A 76 2.543 -4.879 -7.601 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.431 -4.528 -6.605 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.931 -4.700 -6.968 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.239 -5.617 -5.558 1.00 10.00 C ATOM 0 H ILE A 76 1.487 -2.426 -7.875 1.00 10.00 H new ATOM 0 HA ILE A 76 3.382 -4.108 -9.409 1.00 10.00 H new ATOM 0 HB ILE A 76 2.411 -5.925 -7.876 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.671 -3.587 -6.110 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.496 -4.375 -7.144 1.00 10.00 H new ATOM 0 HG21 ILE A 76 4.004 -5.316 -6.072 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.698 -5.003 -7.681 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.077 -3.653 -6.701 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.442 -5.327 -4.873 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.972 -6.552 -6.050 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.165 -5.752 -5.000 1.00 10.00 H new ATOM 1166 N GLY A 77 0.329 -3.656 -10.035 1.00 10.00 N ATOM 1167 CA GLY A 77 -0.759 -3.916 -10.956 1.00 10.00 C ATOM 1168 C GLY A 77 -1.962 -3.110 -10.512 1.00 10.00 C ATOM 1169 O GLY A 77 -1.811 -1.978 -10.051 1.00 10.00 O ATOM 0 H GLY A 77 0.246 -2.755 -9.564 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.471 -3.641 -11.971 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -0.999 -4.979 -10.970 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.144 -3.707 -10.636 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.401 -3.064 -10.328 1.00 10.00 C ATOM 1175 C GLU A 78 -5.316 -4.032 -9.583 1.00 10.00 C ATOM 1176 O GLU A 78 -5.023 -5.216 -9.422 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.022 -2.496 -11.616 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.697 -1.003 -11.747 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.217 -0.372 -13.029 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -6.321 -0.758 -13.463 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -4.500 0.537 -13.515 1.00 10.00 O ATOM 0 H GLU A 78 -3.248 -4.669 -10.960 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.242 -2.219 -9.659 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.639 -3.036 -12.482 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.102 -2.641 -11.602 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.120 -0.472 -10.894 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.616 -0.871 -11.700 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.420 -3.497 -9.084 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.426 -4.269 -8.385 1.00 10.00 C ATOM 1190 C LEU A 79 -8.272 -5.026 -9.412 1.00 10.00 C ATOM 1191 O LEU A 79 -8.743 -4.441 -10.396 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.275 -3.291 -7.583 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.466 -3.951 -6.875 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.062 -4.631 -5.559 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.559 -2.904 -6.674 1.00 10.00 C ATOM 0 H LEU A 79 -6.641 -2.504 -9.156 1.00 10.00 H new ATOM 0 HA LEU A 79 -6.980 -5.000 -7.711 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.646 -2.802 -6.839 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.645 -2.512 -8.250 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.852 -4.753 -7.504 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -9.941 -5.082 -5.098 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.321 -5.404 -5.762 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.637 -3.890 -4.882 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.412 -3.360 -6.171 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.173 -2.087 -6.064 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.874 -2.516 -7.643 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.489 -6.318 -9.155 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.328 -7.184 -9.974 1.00 10.00 C ATOM 1209 C HIS A 80 -10.672 -6.517 -10.268 1.00 10.00 C ATOM 1210 O HIS A 80 -11.263 -5.890 -9.390 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.521 -8.531 -9.268 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.701 -9.699 -10.197 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.871 -10.374 -10.435 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.714 -10.318 -10.917 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.606 -11.352 -11.313 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.305 -11.355 -11.643 1.00 10.00 N ATOM 0 H HIS A 80 -8.076 -6.797 -8.355 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.834 -7.359 -10.930 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.658 -8.720 -8.630 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.391 -8.464 -8.615 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.667 -10.052 -10.923 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.339 -12.043 -11.702 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.840 -11.988 -12.294 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.181 -6.638 -11.498 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.467 -6.070 -11.842 1.00 10.00 C ATOM 1226 C PRO A 81 -13.622 -6.782 -11.126 1.00 10.00 C ATOM 1227 O PRO A 81 -14.721 -6.241 -11.100 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.549 -6.155 -13.365 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.631 -7.326 -13.723 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.566 -7.302 -12.636 1.00 10.00 C ATOM 0 HA PRO A 81 -12.560 -5.036 -11.510 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.571 -6.333 -13.700 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.216 -5.229 -13.835 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.174 -8.271 -13.730 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.194 -7.202 -14.714 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.249 -8.312 -12.376 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.678 -6.765 -12.970 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.383 -7.960 -10.529 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.408 -8.673 -9.766 1.00 10.00 C ATOM 1240 C ASP A 82 -14.769 -7.922 -8.476 1.00 10.00 C ATOM 1241 O ASP A 82 -15.918 -7.925 -8.046 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.919 -10.090 -9.454 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.023 -10.952 -8.863 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.866 -11.408 -9.664 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.960 -11.185 -7.638 1.00 10.00 O ATOM 0 H ASP A 82 -12.482 -8.437 -10.563 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.314 -8.732 -10.369 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.545 -10.554 -10.366 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.084 -10.040 -8.756 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.767 -7.279 -7.865 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.918 -6.501 -6.638 1.00 10.00 C ATOM 1252 C ASP A 83 -14.828 -5.281 -6.854 1.00 10.00 C ATOM 1253 O ASP A 83 -15.664 -4.972 -6.005 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.517 -6.095 -6.162 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.528 -5.166 -4.954 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.954 -4.002 -5.108 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.026 -5.621 -3.907 1.00 10.00 O ATOM 0 H ASP A 83 -12.811 -7.288 -8.220 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.404 -7.103 -5.870 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.952 -6.994 -5.914 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.992 -5.605 -6.982 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.618 -4.591 -7.981 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.210 -3.293 -8.294 1.00 10.00 C ATOM 1264 C ARG A 84 -16.743 -3.294 -8.263 1.00 10.00 C ATOM 1265 O ARG A 84 -17.296 -2.224 -7.920 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.737 -2.820 -9.682 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.109 -1.423 -9.666 1.00 10.00 C ATOM 1268 CD ARG A 84 -12.653 -1.465 -9.185 1.00 10.00 C ATOM 1269 NE ARG A 84 -11.778 -2.299 -10.039 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.203 -1.896 -11.183 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.555 -0.721 -11.719 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.284 -2.662 -11.784 1.00 10.00 N ATOM 0 H ARG A 84 -14.010 -4.936 -8.723 1.00 10.00 H new ATOM 0 HA ARG A 84 -14.873 -2.611 -7.513 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.011 -3.533 -10.073 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.585 -2.821 -10.367 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.150 -0.993 -10.667 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.689 -0.770 -9.015 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -12.258 -0.449 -9.155 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.626 -1.848 -8.165 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.598 -3.256 -9.734 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.255 -0.140 -11.258 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.123 -0.407 -12.588 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.018 -3.557 -11.373 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.850 -2.351 -12.653 1.00 10.00 H new