USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 723 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 30 MET CE :methyl -116:sc= -0.67 (180deg=-2.01!) USER MOD Set 1.2: A 81 LYS NZ :NH3+ -129:sc= -0.0736 (180deg=-0.137) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.373 USER MOD Single : A 3 SER OG : rot 32:sc= 0.49 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.4) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0677 USER MOD Single : A 15 LYS NZ :NH3+ -124:sc= -0.0079 (180deg=-0.444) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.0411 (180deg=-0.317) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.0062) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.451) USER MOD Single : A 35 GLN : amide:sc= -0.0246 K(o=-0.025,f=-0.81) USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= -1.34 (180deg=-1.83!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.326 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-7.2!) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= -1.72! (180deg=-2.62!) USER MOD Single : A 49 GLN : amide:sc= -2.87! C(o=-2.9!,f=-5.9!) USER MOD Single : A 50 SER OG : rot 34:sc= 1.16 USER MOD Single : A 57 THR OG1 : rot -160:sc= -1.02 USER MOD Single : A 58 MET CE :methyl 162:sc= 0 (180deg=-0.434) USER MOD Single : A 61 CYS SG : rot 180:sc= -0.598 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.35) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.6) USER MOD Single : A 80 THR OG1 : rot 97:sc= 0.853 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0828) USER MOD Single : A 84 TYR OH : rot 48:sc= 1.21 USER MOD Single : A 87 GLN : amide:sc= -2.02 X(o=-2,f=-1.8!) USER MOD Single : A 89 SER OG : rot 42:sc= 0.923 USER MOD Single : A 92 SER OG : rot -56:sc= 0.0203 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.583 9.730 -4.136 1.00 0.00 N ATOM 2 CA GLY A 1 -9.548 10.202 -2.764 1.00 0.00 C ATOM 3 C GLY A 1 -8.143 10.531 -2.300 1.00 0.00 C ATOM 4 O GLY A 1 -7.249 9.687 -2.360 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.565 9.519 -4.405 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.202 10.465 -4.766 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.008 8.868 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.175 11.089 -2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.974 9.441 -2.110 1.00 0.00 H new ATOM 8 N SER A 2 -7.947 11.761 -1.837 1.00 0.00 N ATOM 9 CA SER A 2 -6.640 12.201 -1.366 1.00 0.00 C ATOM 10 C SER A 2 -6.779 13.346 -0.367 1.00 0.00 C ATOM 11 O SER A 2 -7.125 14.468 -0.736 1.00 0.00 O ATOM 12 CB SER A 2 -5.771 12.642 -2.545 1.00 0.00 C ATOM 13 OG SER A 2 -6.444 13.598 -3.346 1.00 0.00 O ATOM 0 H SER A 2 -8.677 12.471 -1.778 1.00 0.00 H new ATOM 0 HA SER A 2 -6.161 11.360 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.838 13.066 -2.174 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.508 11.775 -3.151 1.00 0.00 H new ATOM 0 HG SER A 2 -6.929 14.224 -2.769 1.00 0.00 H new ATOM 19 N SER A 3 -6.507 13.053 0.901 1.00 0.00 N ATOM 20 CA SER A 3 -6.605 14.056 1.955 1.00 0.00 C ATOM 21 C SER A 3 -5.264 14.237 2.659 1.00 0.00 C ATOM 22 O SER A 3 -4.721 13.296 3.237 1.00 0.00 O ATOM 23 CB SER A 3 -7.677 13.655 2.971 1.00 0.00 C ATOM 24 OG SER A 3 -7.280 12.512 3.707 1.00 0.00 O ATOM 0 H SER A 3 -6.217 12.130 1.223 1.00 0.00 H new ATOM 0 HA SER A 3 -6.885 15.004 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.864 14.484 3.654 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.614 13.451 2.454 1.00 0.00 H new ATOM 0 HG SER A 3 -6.306 12.513 3.812 1.00 0.00 H new ATOM 30 N GLY A 4 -4.734 15.456 2.606 1.00 0.00 N ATOM 31 CA GLY A 4 -3.461 15.740 3.242 1.00 0.00 C ATOM 32 C GLY A 4 -2.484 16.421 2.305 1.00 0.00 C ATOM 33 O GLY A 4 -2.597 17.618 2.042 1.00 0.00 O ATOM 0 H GLY A 4 -5.164 16.251 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.627 16.374 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.024 14.810 3.604 1.00 0.00 H new ATOM 37 N SER A 5 -1.521 15.657 1.799 1.00 0.00 N ATOM 38 CA SER A 5 -0.516 16.195 0.890 1.00 0.00 C ATOM 39 C SER A 5 -1.168 17.032 -0.206 1.00 0.00 C ATOM 40 O SER A 5 -2.380 16.966 -0.415 1.00 0.00 O ATOM 41 CB SER A 5 0.297 15.060 0.265 1.00 0.00 C ATOM 42 OG SER A 5 1.212 14.514 1.200 1.00 0.00 O ATOM 0 H SER A 5 -1.416 14.663 2.003 1.00 0.00 H new ATOM 0 HA SER A 5 0.152 16.837 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.376 14.279 -0.089 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.839 15.432 -0.604 1.00 0.00 H new ATOM 0 HG SER A 5 1.718 13.789 0.777 1.00 0.00 H new ATOM 48 N SER A 6 -0.355 17.819 -0.904 1.00 0.00 N ATOM 49 CA SER A 6 -0.853 18.672 -1.977 1.00 0.00 C ATOM 50 C SER A 6 -1.158 17.852 -3.227 1.00 0.00 C ATOM 51 O SER A 6 -2.234 17.966 -3.811 1.00 0.00 O ATOM 52 CB SER A 6 0.169 19.762 -2.306 1.00 0.00 C ATOM 53 OG SER A 6 -0.335 20.656 -3.282 1.00 0.00 O ATOM 0 H SER A 6 0.651 17.884 -0.746 1.00 0.00 H new ATOM 0 HA SER A 6 -1.777 19.140 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.422 20.313 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.089 19.304 -2.668 1.00 0.00 H new ATOM 0 HG SER A 6 0.336 21.344 -3.473 1.00 0.00 H new ATOM 59 N GLY A 7 -0.199 17.023 -3.632 1.00 0.00 N ATOM 60 CA GLY A 7 -0.383 16.195 -4.809 1.00 0.00 C ATOM 61 C GLY A 7 -0.141 14.726 -4.528 1.00 0.00 C ATOM 62 O GLY A 7 0.766 14.120 -5.097 1.00 0.00 O ATOM 0 H GLY A 7 0.701 16.911 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.397 16.327 -5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.296 16.528 -5.594 1.00 0.00 H new ATOM 66 N MET A 8 -0.954 14.152 -3.648 1.00 0.00 N ATOM 67 CA MET A 8 -0.823 12.743 -3.292 1.00 0.00 C ATOM 68 C MET A 8 -0.582 11.890 -4.533 1.00 0.00 C ATOM 69 O MET A 8 -1.506 11.615 -5.298 1.00 0.00 O ATOM 70 CB MET A 8 -2.078 12.260 -2.563 1.00 0.00 C ATOM 71 CG MET A 8 -1.832 11.069 -1.652 1.00 0.00 C ATOM 72 SD MET A 8 -1.053 11.535 -0.094 1.00 0.00 S ATOM 73 CE MET A 8 -0.662 9.924 0.584 1.00 0.00 C ATOM 0 H MET A 8 -1.710 14.640 -3.168 1.00 0.00 H new ATOM 0 HA MET A 8 0.036 12.640 -2.629 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.483 13.081 -1.972 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.836 11.993 -3.300 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.780 10.573 -1.445 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.200 10.346 -2.168 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.174 10.045 1.551 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.580 9.350 0.710 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.006 9.395 -0.096 1.00 0.00 H new ATOM 83 N ALA A 9 0.665 11.474 -4.726 1.00 0.00 N ATOM 84 CA ALA A 9 1.027 10.650 -5.873 1.00 0.00 C ATOM 85 C ALA A 9 0.133 9.418 -5.968 1.00 0.00 C ATOM 86 O ALA A 9 -0.418 8.960 -4.966 1.00 0.00 O ATOM 87 CB ALA A 9 2.489 10.238 -5.787 1.00 0.00 C ATOM 0 H ALA A 9 1.442 11.694 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 9 0.881 11.243 -6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.745 9.623 -6.650 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.118 11.128 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.653 9.667 -4.873 1.00 0.00 H new ATOM 93 N LEU A 10 -0.008 8.887 -7.177 1.00 0.00 N ATOM 94 CA LEU A 10 -0.836 7.708 -7.403 1.00 0.00 C ATOM 95 C LEU A 10 -0.412 6.561 -6.491 1.00 0.00 C ATOM 96 O LEU A 10 -1.233 5.990 -5.774 1.00 0.00 O ATOM 97 CB LEU A 10 -0.747 7.270 -8.867 1.00 0.00 C ATOM 98 CG LEU A 10 -1.771 7.892 -9.817 1.00 0.00 C ATOM 99 CD1 LEU A 10 -3.113 7.188 -9.690 1.00 0.00 C ATOM 100 CD2 LEU A 10 -1.920 9.381 -9.540 1.00 0.00 C ATOM 0 H LEU A 10 0.440 9.254 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.868 7.970 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.251 7.506 -9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.854 6.186 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.413 7.767 -10.839 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.829 7.644 -10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.995 6.133 -9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.478 7.281 -8.667 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.653 9.807 -10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.255 9.528 -8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.959 9.876 -9.683 1.00 0.00 H new ATOM 112 N GLU A 11 0.876 6.232 -6.523 1.00 0.00 N ATOM 113 CA GLU A 11 1.408 5.154 -5.698 1.00 0.00 C ATOM 114 C GLU A 11 2.934 5.193 -5.669 1.00 0.00 C ATOM 115 O GLU A 11 3.567 5.740 -6.572 1.00 0.00 O ATOM 116 CB GLU A 11 0.932 3.798 -6.221 1.00 0.00 C ATOM 117 CG GLU A 11 1.792 3.243 -7.345 1.00 0.00 C ATOM 118 CD GLU A 11 1.558 3.954 -8.663 1.00 0.00 C ATOM 119 OE1 GLU A 11 1.563 5.202 -8.674 1.00 0.00 O ATOM 120 OE2 GLU A 11 1.370 3.260 -9.685 1.00 0.00 O ATOM 0 H GLU A 11 1.569 6.696 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 11 1.038 5.293 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.920 3.084 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.095 3.894 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.843 3.331 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.582 2.180 -7.467 1.00 0.00 H new ATOM 127 N GLN A 12 3.516 4.611 -4.626 1.00 0.00 N ATOM 128 CA GLN A 12 4.966 4.581 -4.479 1.00 0.00 C ATOM 129 C GLN A 12 5.400 3.416 -3.595 1.00 0.00 C ATOM 130 O GLN A 12 4.569 2.645 -3.114 1.00 0.00 O ATOM 131 CB GLN A 12 5.468 5.900 -3.888 1.00 0.00 C ATOM 132 CG GLN A 12 4.796 6.272 -2.576 1.00 0.00 C ATOM 133 CD GLN A 12 3.397 6.821 -2.771 1.00 0.00 C ATOM 134 OE1 GLN A 12 3.173 7.703 -3.601 1.00 0.00 O ATOM 135 NE2 GLN A 12 2.445 6.300 -2.006 1.00 0.00 N ATOM 0 H GLN A 12 3.006 4.154 -3.870 1.00 0.00 H new ATOM 0 HA GLN A 12 5.403 4.445 -5.468 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.544 5.831 -3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.303 6.699 -4.611 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.751 5.393 -1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.404 7.014 -2.058 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.675 5.571 -1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.483 6.629 -2.093 1.00 0.00 H new ATOM 144 N THR A 13 6.707 3.293 -3.385 1.00 0.00 N ATOM 145 CA THR A 13 7.251 2.222 -2.561 1.00 0.00 C ATOM 146 C THR A 13 7.875 2.774 -1.284 1.00 0.00 C ATOM 147 O THR A 13 7.689 2.219 -0.200 1.00 0.00 O ATOM 148 CB THR A 13 8.311 1.407 -3.326 1.00 0.00 C ATOM 149 OG1 THR A 13 9.463 2.219 -3.581 1.00 0.00 O ATOM 150 CG2 THR A 13 7.749 0.888 -4.641 1.00 0.00 C ATOM 0 H THR A 13 7.408 3.923 -3.775 1.00 0.00 H new ATOM 0 HA THR A 13 6.418 1.568 -2.302 1.00 0.00 H new ATOM 0 HB THR A 13 8.597 0.555 -2.710 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.133 1.693 -4.066 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.515 0.316 -5.164 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.890 0.247 -4.442 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.438 1.729 -5.261 1.00 0.00 H new ATOM 158 N LEU A 14 8.615 3.869 -1.418 1.00 0.00 N ATOM 159 CA LEU A 14 9.266 4.497 -0.274 1.00 0.00 C ATOM 160 C LEU A 14 8.321 5.471 0.423 1.00 0.00 C ATOM 161 O LEU A 14 7.237 5.768 -0.078 1.00 0.00 O ATOM 162 CB LEU A 14 10.533 5.228 -0.721 1.00 0.00 C ATOM 163 CG LEU A 14 11.693 4.343 -1.177 1.00 0.00 C ATOM 164 CD1 LEU A 14 12.531 5.059 -2.225 1.00 0.00 C ATOM 165 CD2 LEU A 14 12.554 3.939 0.011 1.00 0.00 C ATOM 0 H LEU A 14 8.779 4.340 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 14 9.537 3.714 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.271 5.900 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.880 5.850 0.104 1.00 0.00 H new ATOM 0 HG LEU A 14 11.281 3.440 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.352 4.414 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.909 5.298 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.934 5.979 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.375 3.309 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.957 4.832 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.948 3.386 0.728 1.00 0.00 H new ATOM 177 N LYS A 15 8.742 5.968 1.582 1.00 0.00 N ATOM 178 CA LYS A 15 7.936 6.912 2.347 1.00 0.00 C ATOM 179 C LYS A 15 6.638 6.264 2.816 1.00 0.00 C ATOM 180 O LYS A 15 5.590 6.909 2.862 1.00 0.00 O ATOM 181 CB LYS A 15 7.625 8.150 1.504 1.00 0.00 C ATOM 182 CG LYS A 15 7.291 9.380 2.329 1.00 0.00 C ATOM 183 CD LYS A 15 6.467 10.378 1.533 1.00 0.00 C ATOM 184 CE LYS A 15 7.318 11.115 0.511 1.00 0.00 C ATOM 185 NZ LYS A 15 7.363 10.397 -0.793 1.00 0.00 N ATOM 0 H LYS A 15 9.637 5.732 2.012 1.00 0.00 H new ATOM 0 HA LYS A 15 8.509 7.212 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.483 8.371 0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.787 7.928 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.741 9.082 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.213 9.854 2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.655 9.858 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.009 11.097 2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.918 12.118 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.331 11.231 0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.353 10.210 -1.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.851 9.496 -0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.917 10.983 -1.527 1.00 0.00 H new ATOM 199 N LYS A 16 6.713 4.984 3.165 1.00 0.00 N ATOM 200 CA LYS A 16 5.544 4.248 3.634 1.00 0.00 C ATOM 201 C LYS A 16 5.942 3.191 4.659 1.00 0.00 C ATOM 202 O LYS A 16 6.729 2.291 4.364 1.00 0.00 O ATOM 203 CB LYS A 16 4.826 3.586 2.456 1.00 0.00 C ATOM 204 CG LYS A 16 3.680 2.681 2.872 1.00 0.00 C ATOM 205 CD LYS A 16 2.580 2.656 1.824 1.00 0.00 C ATOM 206 CE LYS A 16 1.269 2.147 2.404 1.00 0.00 C ATOM 207 NZ LYS A 16 0.680 3.112 3.374 1.00 0.00 N ATOM 0 H LYS A 16 7.572 4.434 3.132 1.00 0.00 H new ATOM 0 HA LYS A 16 4.868 4.956 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.443 4.362 1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.547 3.004 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.054 1.670 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.271 3.024 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.436 3.659 1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.883 2.020 0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.560 1.966 1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.438 1.191 2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.338 2.924 3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.146 3.004 4.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.820 4.082 3.027 1.00 0.00 H new ATOM 221 N ASP A 17 5.393 3.305 5.863 1.00 0.00 N ATOM 222 CA ASP A 17 5.689 2.358 6.932 1.00 0.00 C ATOM 223 C ASP A 17 5.292 0.941 6.527 1.00 0.00 C ATOM 224 O ASP A 17 4.107 0.623 6.429 1.00 0.00 O ATOM 225 CB ASP A 17 4.959 2.758 8.215 1.00 0.00 C ATOM 226 CG ASP A 17 5.479 4.060 8.794 1.00 0.00 C ATOM 227 OD1 ASP A 17 6.708 4.176 8.982 1.00 0.00 O ATOM 228 OD2 ASP A 17 4.657 4.961 9.060 1.00 0.00 O ATOM 0 H ASP A 17 4.740 4.044 6.124 1.00 0.00 H new ATOM 0 HA ASP A 17 6.763 2.378 7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.893 2.855 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.069 1.965 8.955 1.00 0.00 H new ATOM 233 N TRP A 18 6.290 0.097 6.293 1.00 0.00 N ATOM 234 CA TRP A 18 6.044 -1.286 5.898 1.00 0.00 C ATOM 235 C TRP A 18 6.154 -2.222 7.096 1.00 0.00 C ATOM 236 O TRP A 18 5.401 -3.190 7.211 1.00 0.00 O ATOM 237 CB TRP A 18 7.032 -1.710 4.811 1.00 0.00 C ATOM 238 CG TRP A 18 6.965 -0.857 3.580 1.00 0.00 C ATOM 239 CD1 TRP A 18 7.960 -0.072 3.072 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.842 -0.701 2.706 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.523 0.562 1.934 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.227 0.192 1.687 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.549 -1.231 2.683 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.365 0.566 0.660 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.695 -0.859 1.663 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.106 0.032 0.662 1.00 0.00 C ATOM 0 H TRP A 18 7.276 0.345 6.370 1.00 0.00 H new ATOM 0 HA TRP A 18 5.030 -1.350 5.503 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.044 -1.673 5.215 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.836 -2.747 4.537 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.945 0.035 3.501 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.074 1.204 1.365 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.223 -1.919 3.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.679 1.254 -0.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.693 -1.262 1.636 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.415 0.302 -0.123 1.00 0.00 H new ATOM 257 N TYR A 19 7.095 -1.928 7.986 1.00 0.00 N ATOM 258 CA TYR A 19 7.304 -2.746 9.175 1.00 0.00 C ATOM 259 C TYR A 19 6.062 -2.748 10.061 1.00 0.00 C ATOM 260 O TYR A 19 5.941 -3.560 10.978 1.00 0.00 O ATOM 261 CB TYR A 19 8.509 -2.234 9.967 1.00 0.00 C ATOM 262 CG TYR A 19 9.839 -2.600 9.349 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.160 -3.923 9.075 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.775 -1.621 9.038 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.375 -4.262 8.511 1.00 0.00 C ATOM 266 CE2 TYR A 19 11.992 -1.950 8.473 1.00 0.00 C ATOM 267 CZ TYR A 19 12.288 -3.272 8.212 1.00 0.00 C ATOM 268 OH TYR A 19 13.498 -3.605 7.649 1.00 0.00 O ATOM 0 H TYR A 19 7.725 -1.130 7.907 1.00 0.00 H new ATOM 0 HA TYR A 19 7.498 -3.769 8.851 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.443 -1.149 10.052 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.465 -2.636 10.979 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.447 -4.701 9.307 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.547 -0.585 9.242 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.609 -5.296 8.305 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.708 -1.177 8.237 1.00 0.00 H new ATOM 0 HH TYR A 19 14.024 -2.792 7.500 1.00 0.00 H new ATOM 278 N SER A 20 5.142 -1.831 9.780 1.00 0.00 N ATOM 279 CA SER A 20 3.910 -1.722 10.552 1.00 0.00 C ATOM 280 C SER A 20 2.756 -2.417 9.835 1.00 0.00 C ATOM 281 O SER A 20 1.951 -3.109 10.458 1.00 0.00 O ATOM 282 CB SER A 20 3.563 -0.252 10.795 1.00 0.00 C ATOM 283 OG SER A 20 4.643 0.432 11.406 1.00 0.00 O ATOM 0 H SER A 20 5.227 -1.153 9.023 1.00 0.00 H new ATOM 0 HA SER A 20 4.068 -2.214 11.512 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.314 0.227 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.679 -0.184 11.430 1.00 0.00 H new ATOM 0 HG SER A 20 4.397 1.370 11.549 1.00 0.00 H new ATOM 289 N ILE A 21 2.684 -2.228 8.522 1.00 0.00 N ATOM 290 CA ILE A 21 1.631 -2.837 7.719 1.00 0.00 C ATOM 291 C ILE A 21 1.668 -4.357 7.827 1.00 0.00 C ATOM 292 O ILE A 21 0.629 -5.018 7.793 1.00 0.00 O ATOM 293 CB ILE A 21 1.749 -2.435 6.237 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.657 -0.915 6.090 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.667 -3.118 5.415 1.00 0.00 C ATOM 296 CD1 ILE A 21 2.172 -0.404 4.762 1.00 0.00 C ATOM 0 H ILE A 21 3.343 -1.658 7.991 1.00 0.00 H new ATOM 0 HA ILE A 21 0.682 -2.470 8.111 1.00 0.00 H new ATOM 0 HB ILE A 21 2.720 -2.760 5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.618 -0.609 6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.222 -0.445 6.895 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.764 -2.824 4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.774 -4.199 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.314 -2.821 5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.076 0.681 4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.220 -0.679 4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.591 -0.845 3.952 1.00 0.00 H new ATOM 308 N LEU A 22 2.870 -4.907 7.957 1.00 0.00 N ATOM 309 CA LEU A 22 3.043 -6.351 8.072 1.00 0.00 C ATOM 310 C LEU A 22 3.097 -6.779 9.535 1.00 0.00 C ATOM 311 O LEU A 22 2.924 -7.954 9.855 1.00 0.00 O ATOM 312 CB LEU A 22 4.320 -6.790 7.353 1.00 0.00 C ATOM 313 CG LEU A 22 4.410 -6.436 5.868 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.812 -6.702 5.340 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.380 -7.220 5.069 1.00 0.00 C ATOM 0 H LEU A 22 3.740 -4.375 7.985 1.00 0.00 H new ATOM 0 HA LEU A 22 2.185 -6.833 7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.173 -6.344 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.417 -7.871 7.455 1.00 0.00 H new ATOM 0 HG LEU A 22 4.196 -5.373 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.857 -6.444 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.530 -6.095 5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.055 -7.757 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.459 -6.955 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.562 -8.288 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.380 -6.980 5.430 1.00 0.00 H new ATOM 327 N GLY A 23 3.335 -5.815 10.420 1.00 0.00 N ATOM 328 CA GLY A 23 3.404 -6.111 11.839 1.00 0.00 C ATOM 329 C GLY A 23 4.722 -6.749 12.234 1.00 0.00 C ATOM 330 O GLY A 23 4.746 -7.723 12.985 1.00 0.00 O ATOM 0 H GLY A 23 3.481 -4.835 10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.265 -5.191 12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.585 -6.778 12.108 1.00 0.00 H new ATOM 334 N ALA A 24 5.819 -6.199 11.725 1.00 0.00 N ATOM 335 CA ALA A 24 7.146 -6.720 12.030 1.00 0.00 C ATOM 336 C ALA A 24 8.053 -5.625 12.580 1.00 0.00 C ATOM 337 O ALA A 24 7.695 -4.447 12.573 1.00 0.00 O ATOM 338 CB ALA A 24 7.765 -7.347 10.789 1.00 0.00 C ATOM 0 H ALA A 24 5.815 -5.393 11.100 1.00 0.00 H new ATOM 0 HA ALA A 24 7.040 -7.487 12.797 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.756 -7.732 11.031 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.133 -8.164 10.441 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.850 -6.595 10.005 1.00 0.00 H new ATOM 344 N ASP A 25 9.229 -6.020 13.055 1.00 0.00 N ATOM 345 CA ASP A 25 10.188 -5.071 13.609 1.00 0.00 C ATOM 346 C ASP A 25 11.152 -4.582 12.533 1.00 0.00 C ATOM 347 O ASP A 25 11.453 -5.286 11.569 1.00 0.00 O ATOM 348 CB ASP A 25 10.969 -5.714 14.757 1.00 0.00 C ATOM 349 CG ASP A 25 10.060 -6.308 15.814 1.00 0.00 C ATOM 350 OD1 ASP A 25 8.895 -5.868 15.912 1.00 0.00 O ATOM 351 OD2 ASP A 25 10.513 -7.214 16.544 1.00 0.00 O ATOM 0 H ASP A 25 9.541 -6.991 13.068 1.00 0.00 H new ATOM 0 HA ASP A 25 9.634 -4.214 13.992 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.617 -6.495 14.359 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.615 -4.966 15.216 1.00 0.00 H new ATOM 356 N PRO A 26 11.647 -3.347 12.698 1.00 0.00 N ATOM 357 CA PRO A 26 12.583 -2.735 11.751 1.00 0.00 C ATOM 358 C PRO A 26 13.957 -3.396 11.785 1.00 0.00 C ATOM 359 O PRO A 26 14.858 -3.018 11.036 1.00 0.00 O ATOM 360 CB PRO A 26 12.676 -1.284 12.229 1.00 0.00 C ATOM 361 CG PRO A 26 12.334 -1.341 13.678 1.00 0.00 C ATOM 362 CD PRO A 26 11.331 -2.451 13.824 1.00 0.00 C ATOM 0 HA PRO A 26 12.244 -2.837 10.720 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.676 -0.879 12.074 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.984 -0.642 11.684 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.221 -1.535 14.281 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.919 -0.393 14.018 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.431 -2.960 14.783 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.308 -2.079 13.766 1.00 0.00 H new ATOM 370 N SER A 27 14.111 -4.386 12.659 1.00 0.00 N ATOM 371 CA SER A 27 15.376 -5.098 12.793 1.00 0.00 C ATOM 372 C SER A 27 15.172 -6.603 12.645 1.00 0.00 C ATOM 373 O SER A 27 15.841 -7.399 13.303 1.00 0.00 O ATOM 374 CB SER A 27 16.018 -4.790 14.147 1.00 0.00 C ATOM 375 OG SER A 27 17.431 -4.862 14.070 1.00 0.00 O ATOM 0 H SER A 27 13.375 -4.713 13.285 1.00 0.00 H new ATOM 0 HA SER A 27 16.040 -4.759 11.998 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.719 -3.795 14.477 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.655 -5.496 14.894 1.00 0.00 H new ATOM 0 HG SER A 27 17.817 -4.660 14.948 1.00 0.00 H new ATOM 381 N ALA A 28 14.241 -6.985 11.776 1.00 0.00 N ATOM 382 CA ALA A 28 13.949 -8.393 11.540 1.00 0.00 C ATOM 383 C ALA A 28 14.594 -8.878 10.246 1.00 0.00 C ATOM 384 O ALA A 28 15.132 -8.085 9.474 1.00 0.00 O ATOM 385 CB ALA A 28 12.445 -8.620 11.499 1.00 0.00 C ATOM 0 H ALA A 28 13.677 -6.339 11.224 1.00 0.00 H new ATOM 0 HA ALA A 28 14.371 -8.969 12.364 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.241 -9.676 11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.006 -8.320 12.450 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.009 -8.027 10.695 1.00 0.00 H new ATOM 391 N ASN A 29 14.537 -10.185 10.015 1.00 0.00 N ATOM 392 CA ASN A 29 15.117 -10.776 8.815 1.00 0.00 C ATOM 393 C ASN A 29 14.027 -11.305 7.887 1.00 0.00 C ATOM 394 O ASN A 29 12.841 -11.241 8.208 1.00 0.00 O ATOM 395 CB ASN A 29 16.076 -11.907 9.190 1.00 0.00 C ATOM 396 CG ASN A 29 17.452 -11.396 9.574 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.934 -11.648 10.678 1.00 0.00 O ATOM 398 ND2 ASN A 29 18.089 -10.672 8.661 1.00 0.00 N ATOM 0 H ASN A 29 14.095 -10.856 10.643 1.00 0.00 H new ATOM 0 HA ASN A 29 15.671 -9.998 8.289 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.657 -12.474 10.021 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.168 -12.595 8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 29 19.017 -10.300 8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.650 -10.488 7.759 1.00 0.00 H new ATOM 405 N MET A 30 14.439 -11.828 6.737 1.00 0.00 N ATOM 406 CA MET A 30 13.498 -12.370 5.764 1.00 0.00 C ATOM 407 C MET A 30 12.613 -13.437 6.400 1.00 0.00 C ATOM 408 O MET A 30 11.387 -13.323 6.398 1.00 0.00 O ATOM 409 CB MET A 30 14.250 -12.960 4.569 1.00 0.00 C ATOM 410 CG MET A 30 14.508 -11.956 3.458 1.00 0.00 C ATOM 411 SD MET A 30 15.234 -10.420 4.064 1.00 0.00 S ATOM 412 CE MET A 30 13.914 -9.261 3.713 1.00 0.00 C ATOM 0 H MET A 30 15.418 -11.888 6.456 1.00 0.00 H new ATOM 0 HA MET A 30 12.862 -11.555 5.417 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.203 -13.362 4.913 1.00 0.00 H new ATOM 0 HB3 MET A 30 13.678 -13.796 4.167 1.00 0.00 H new ATOM 0 HG2 MET A 30 15.174 -12.401 2.719 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.570 -11.734 2.949 1.00 0.00 H new ATOM 0 HE1 MET A 30 14.255 -8.532 2.978 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.053 -9.799 3.317 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.629 -8.745 4.630 1.00 0.00 H new ATOM 422 N SER A 31 13.242 -14.475 6.943 1.00 0.00 N ATOM 423 CA SER A 31 12.511 -15.565 7.579 1.00 0.00 C ATOM 424 C SER A 31 11.403 -15.024 8.478 1.00 0.00 C ATOM 425 O SER A 31 10.315 -15.596 8.554 1.00 0.00 O ATOM 426 CB SER A 31 13.464 -16.439 8.396 1.00 0.00 C ATOM 427 OG SER A 31 14.167 -17.343 7.562 1.00 0.00 O ATOM 0 H SER A 31 14.256 -14.584 6.955 1.00 0.00 H new ATOM 0 HA SER A 31 12.057 -16.170 6.795 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.173 -15.808 8.932 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.901 -16.994 9.146 1.00 0.00 H new ATOM 0 HG SER A 31 14.771 -17.889 8.107 1.00 0.00 H new ATOM 433 N ASP A 32 11.688 -13.918 9.157 1.00 0.00 N ATOM 434 CA ASP A 32 10.716 -13.298 10.051 1.00 0.00 C ATOM 435 C ASP A 32 9.686 -12.496 9.261 1.00 0.00 C ATOM 436 O ASP A 32 8.538 -12.916 9.111 1.00 0.00 O ATOM 437 CB ASP A 32 11.424 -12.391 11.058 1.00 0.00 C ATOM 438 CG ASP A 32 11.885 -13.144 12.291 1.00 0.00 C ATOM 439 OD1 ASP A 32 12.698 -14.081 12.145 1.00 0.00 O ATOM 440 OD2 ASP A 32 11.433 -12.795 13.402 1.00 0.00 O ATOM 0 H ASP A 32 12.584 -13.432 9.106 1.00 0.00 H new ATOM 0 HA ASP A 32 10.197 -14.091 10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.284 -11.923 10.579 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.750 -11.589 11.357 1.00 0.00 H new ATOM 445 N LEU A 33 10.104 -11.339 8.760 1.00 0.00 N ATOM 446 CA LEU A 33 9.218 -10.476 7.986 1.00 0.00 C ATOM 447 C LEU A 33 8.261 -11.303 7.133 1.00 0.00 C ATOM 448 O LEU A 33 7.060 -11.032 7.088 1.00 0.00 O ATOM 449 CB LEU A 33 10.035 -9.541 7.093 1.00 0.00 C ATOM 450 CG LEU A 33 10.933 -8.537 7.817 1.00 0.00 C ATOM 451 CD1 LEU A 33 12.020 -8.024 6.886 1.00 0.00 C ATOM 452 CD2 LEU A 33 10.108 -7.381 8.365 1.00 0.00 C ATOM 0 H LEU A 33 11.050 -10.977 8.876 1.00 0.00 H new ATOM 0 HA LEU A 33 8.631 -9.880 8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.659 -10.150 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.347 -8.988 6.454 1.00 0.00 H new ATOM 0 HG LEU A 33 11.411 -9.045 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.649 -7.311 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.630 -8.860 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.562 -7.533 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.764 -6.677 8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.601 -6.874 7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.367 -7.763 9.067 1.00 0.00 H new ATOM 464 N LYS A 34 8.799 -12.314 6.460 1.00 0.00 N ATOM 465 CA LYS A 34 7.994 -13.184 5.612 1.00 0.00 C ATOM 466 C LYS A 34 6.865 -13.829 6.409 1.00 0.00 C ATOM 467 O LYS A 34 5.691 -13.686 6.068 1.00 0.00 O ATOM 468 CB LYS A 34 8.870 -14.268 4.980 1.00 0.00 C ATOM 469 CG LYS A 34 8.374 -14.736 3.622 1.00 0.00 C ATOM 470 CD LYS A 34 9.405 -15.604 2.921 1.00 0.00 C ATOM 471 CE LYS A 34 9.224 -17.075 3.266 1.00 0.00 C ATOM 472 NZ LYS A 34 9.972 -17.452 4.498 1.00 0.00 N ATOM 0 H LYS A 34 9.791 -12.551 6.486 1.00 0.00 H new ATOM 0 HA LYS A 34 7.555 -12.574 4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.886 -13.887 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.918 -15.123 5.654 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.448 -15.297 3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.142 -13.871 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.322 -15.469 1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.407 -15.283 3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.164 -17.288 3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.565 -17.688 2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.155 -18.476 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.876 -16.939 4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.408 -17.205 5.336 1.00 0.00 H new ATOM 486 N GLN A 35 7.229 -14.539 7.473 1.00 0.00 N ATOM 487 CA GLN A 35 6.245 -15.205 8.319 1.00 0.00 C ATOM 488 C GLN A 35 5.028 -14.314 8.544 1.00 0.00 C ATOM 489 O GLN A 35 3.887 -14.763 8.435 1.00 0.00 O ATOM 490 CB GLN A 35 6.870 -15.583 9.663 1.00 0.00 C ATOM 491 CG GLN A 35 7.597 -16.918 9.641 1.00 0.00 C ATOM 492 CD GLN A 35 6.648 -18.100 9.654 1.00 0.00 C ATOM 493 OE1 GLN A 35 5.616 -18.074 10.325 1.00 0.00 O ATOM 494 NE2 GLN A 35 6.993 -19.145 8.910 1.00 0.00 N ATOM 0 H GLN A 35 8.197 -14.668 7.769 1.00 0.00 H new ATOM 0 HA GLN A 35 5.919 -16.112 7.809 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.570 -14.802 9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.088 -15.617 10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.225 -16.971 8.751 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.261 -16.980 10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.858 -19.123 8.370 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.393 -19.969 8.879 1.00 0.00 H new ATOM 503 N LYS A 36 5.278 -13.047 8.859 1.00 0.00 N ATOM 504 CA LYS A 36 4.204 -12.091 9.099 1.00 0.00 C ATOM 505 C LYS A 36 3.474 -11.756 7.802 1.00 0.00 C ATOM 506 O LYS A 36 2.251 -11.615 7.785 1.00 0.00 O ATOM 507 CB LYS A 36 4.762 -10.813 9.729 1.00 0.00 C ATOM 508 CG LYS A 36 5.191 -10.984 11.175 1.00 0.00 C ATOM 509 CD LYS A 36 6.649 -11.399 11.279 1.00 0.00 C ATOM 510 CE LYS A 36 7.175 -11.238 12.697 1.00 0.00 C ATOM 511 NZ LYS A 36 7.728 -9.875 12.932 1.00 0.00 N ATOM 0 H LYS A 36 6.216 -12.659 8.954 1.00 0.00 H new ATOM 0 HA LYS A 36 3.493 -12.547 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.616 -10.473 9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.005 -10.030 9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.039 -10.049 11.714 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.563 -11.734 11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.756 -12.438 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.249 -10.797 10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.371 -11.431 13.407 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.950 -11.982 12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.489 -9.926 13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.109 -9.496 12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.973 -9.249 13.280 1.00 0.00 H new ATOM 525 N TYR A 37 4.232 -11.631 6.718 1.00 0.00 N ATOM 526 CA TYR A 37 3.657 -11.312 5.417 1.00 0.00 C ATOM 527 C TYR A 37 2.673 -12.391 4.976 1.00 0.00 C ATOM 528 O TYR A 37 1.516 -12.103 4.670 1.00 0.00 O ATOM 529 CB TYR A 37 4.763 -11.156 4.372 1.00 0.00 C ATOM 530 CG TYR A 37 4.251 -11.120 2.950 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.801 -9.934 2.383 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.218 -12.272 2.173 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.332 -9.897 1.084 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.752 -12.243 0.873 1.00 0.00 C ATOM 535 CZ TYR A 37 3.310 -11.053 0.333 1.00 0.00 C ATOM 536 OH TYR A 37 2.843 -11.021 -0.961 1.00 0.00 O ATOM 0 H TYR A 37 5.246 -11.746 6.715 1.00 0.00 H new ATOM 0 HA TYR A 37 3.117 -10.370 5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.315 -10.238 4.574 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.468 -11.981 4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.818 -9.026 2.967 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.563 -13.206 2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.984 -8.967 0.659 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.734 -13.147 0.283 1.00 0.00 H new ATOM 0 HH TYR A 37 2.896 -11.919 -1.350 1.00 0.00 H new ATOM 546 N GLN A 38 3.142 -13.634 4.947 1.00 0.00 N ATOM 547 CA GLN A 38 2.304 -14.757 4.544 1.00 0.00 C ATOM 548 C GLN A 38 0.980 -14.748 5.301 1.00 0.00 C ATOM 549 O GLN A 38 -0.092 -14.686 4.698 1.00 0.00 O ATOM 550 CB GLN A 38 3.035 -16.079 4.787 1.00 0.00 C ATOM 551 CG GLN A 38 4.073 -16.404 3.725 1.00 0.00 C ATOM 552 CD GLN A 38 4.255 -17.896 3.525 1.00 0.00 C ATOM 553 OE1 GLN A 38 3.932 -18.436 2.466 1.00 0.00 O ATOM 554 NE2 GLN A 38 4.775 -18.571 4.543 1.00 0.00 N ATOM 0 H GLN A 38 4.097 -13.889 5.198 1.00 0.00 H new ATOM 0 HA GLN A 38 2.093 -14.657 3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.523 -16.041 5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.304 -16.887 4.828 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.776 -15.948 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.028 -15.960 4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.028 -18.083 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.921 -19.578 4.466 1.00 0.00 H new ATOM 563 N LYS A 39 1.061 -14.809 6.626 1.00 0.00 N ATOM 564 CA LYS A 39 -0.130 -14.807 7.467 1.00 0.00 C ATOM 565 C LYS A 39 -0.984 -13.572 7.197 1.00 0.00 C ATOM 566 O LYS A 39 -2.160 -13.527 7.560 1.00 0.00 O ATOM 567 CB LYS A 39 0.264 -14.855 8.945 1.00 0.00 C ATOM 568 CG LYS A 39 0.755 -13.524 9.487 1.00 0.00 C ATOM 569 CD LYS A 39 0.683 -13.478 11.004 1.00 0.00 C ATOM 570 CE LYS A 39 -0.660 -12.946 11.482 1.00 0.00 C ATOM 571 NZ LYS A 39 -1.040 -13.509 12.807 1.00 0.00 N ATOM 0 H LYS A 39 1.940 -14.860 7.141 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.717 -15.693 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.595 -15.182 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.045 -15.603 9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.783 -13.356 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.154 -12.716 9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.844 -14.478 11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.484 -12.846 11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.617 -11.859 11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.429 -13.191 10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.961 -13.122 13.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.106 -14.545 12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.319 -13.254 13.512 1.00 0.00 H new ATOM 585 N LEU A 40 -0.386 -12.573 6.559 1.00 0.00 N ATOM 586 CA LEU A 40 -1.092 -11.337 6.239 1.00 0.00 C ATOM 587 C LEU A 40 -1.396 -11.254 4.746 1.00 0.00 C ATOM 588 O LEU A 40 -1.628 -10.170 4.210 1.00 0.00 O ATOM 589 CB LEU A 40 -0.263 -10.126 6.670 1.00 0.00 C ATOM 590 CG LEU A 40 -0.096 -9.930 8.177 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.800 -8.735 8.464 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.452 -9.755 8.846 1.00 0.00 C ATOM 0 H LEU A 40 0.587 -12.594 6.253 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.036 -11.336 6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.727 -10.211 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.724 -9.229 6.256 1.00 0.00 H new ATOM 0 HG LEU A 40 0.378 -10.821 8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.907 -8.611 9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.781 -8.900 8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.355 -7.836 8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.314 -9.617 9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.953 -8.881 8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.062 -10.641 8.670 1.00 0.00 H new ATOM 604 N ILE A 41 -1.395 -12.405 4.083 1.00 0.00 N ATOM 605 CA ILE A 41 -1.673 -12.463 2.653 1.00 0.00 C ATOM 606 C ILE A 41 -3.003 -13.157 2.380 1.00 0.00 C ATOM 607 O ILE A 41 -3.605 -12.975 1.321 1.00 0.00 O ATOM 608 CB ILE A 41 -0.556 -13.199 1.891 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.633 -12.265 1.658 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.082 -13.735 0.568 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.366 -11.191 0.628 1.00 0.00 C ATOM 0 H ILE A 41 -1.205 -13.310 4.513 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.724 -11.433 2.299 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.219 -14.042 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.903 -11.792 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.492 -12.856 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.281 -14.253 0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.900 -14.430 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.442 -12.907 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.252 -10.567 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.125 -11.656 -0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.472 -10.575 0.953 1.00 0.00 H new ATOM 623 N LEU A 42 -3.457 -13.953 3.342 1.00 0.00 N ATOM 624 CA LEU A 42 -4.718 -14.674 3.206 1.00 0.00 C ATOM 625 C LEU A 42 -5.819 -14.004 4.021 1.00 0.00 C ATOM 626 O LEU A 42 -7.001 -14.316 3.863 1.00 0.00 O ATOM 627 CB LEU A 42 -4.548 -16.127 3.656 1.00 0.00 C ATOM 628 CG LEU A 42 -3.446 -16.387 4.684 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.843 -15.831 6.043 1.00 0.00 C ATOM 630 CD2 LEU A 42 -3.148 -17.876 4.781 1.00 0.00 C ATOM 0 H LEU A 42 -2.971 -14.115 4.224 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.007 -14.656 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.495 -16.470 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.348 -16.738 2.776 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.541 -15.877 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.047 -16.025 6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.006 -14.756 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.761 -16.313 6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.362 -18.042 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.049 -18.408 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.820 -18.245 3.809 1.00 0.00 H new ATOM 642 N LEU A 43 -5.426 -13.080 4.890 1.00 0.00 N ATOM 643 CA LEU A 43 -6.380 -12.362 5.729 1.00 0.00 C ATOM 644 C LEU A 43 -7.079 -11.261 4.938 1.00 0.00 C ATOM 645 O LEU A 43 -8.182 -10.839 5.285 1.00 0.00 O ATOM 646 CB LEU A 43 -5.670 -11.762 6.944 1.00 0.00 C ATOM 647 CG LEU A 43 -5.395 -12.721 8.102 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.468 -12.077 9.121 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.698 -13.150 8.761 1.00 0.00 C ATOM 0 H LEU A 43 -4.453 -12.810 5.033 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.133 -13.072 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.720 -11.341 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.272 -10.934 7.319 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.903 -13.608 7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.284 -12.775 9.938 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.523 -11.821 8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.932 -11.172 9.514 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.482 -13.832 9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.218 -12.272 9.145 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.328 -13.653 8.028 1.00 0.00 H new ATOM 661 N TYR A 44 -6.430 -10.801 3.874 1.00 0.00 N ATOM 662 CA TYR A 44 -6.989 -9.749 3.034 1.00 0.00 C ATOM 663 C TYR A 44 -7.055 -10.193 1.576 1.00 0.00 C ATOM 664 O TYR A 44 -7.144 -9.367 0.667 1.00 0.00 O ATOM 665 CB TYR A 44 -6.152 -8.474 3.153 1.00 0.00 C ATOM 666 CG TYR A 44 -5.917 -8.034 4.581 1.00 0.00 C ATOM 667 CD1 TYR A 44 -6.847 -7.245 5.247 1.00 0.00 C ATOM 668 CD2 TYR A 44 -4.766 -8.407 5.263 1.00 0.00 C ATOM 669 CE1 TYR A 44 -6.637 -6.841 6.551 1.00 0.00 C ATOM 670 CE2 TYR A 44 -4.548 -8.009 6.568 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.486 -7.225 7.207 1.00 0.00 C ATOM 672 OH TYR A 44 -5.272 -6.825 8.506 1.00 0.00 O ATOM 0 H TYR A 44 -5.516 -11.140 3.573 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.003 -9.544 3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.189 -8.635 2.668 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.651 -7.670 2.612 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.749 -6.943 4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.029 -9.019 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.370 -6.228 7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.649 -8.310 7.085 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.415 -7.182 8.821 1.00 0.00 H new ATOM 682 N HIS A 45 -7.012 -11.504 1.361 1.00 0.00 N ATOM 683 CA HIS A 45 -7.068 -12.060 0.014 1.00 0.00 C ATOM 684 C HIS A 45 -8.507 -12.122 -0.488 1.00 0.00 C ATOM 685 O HIS A 45 -9.436 -12.440 0.255 1.00 0.00 O ATOM 686 CB HIS A 45 -6.446 -13.456 -0.010 1.00 0.00 C ATOM 687 CG HIS A 45 -5.899 -13.845 -1.350 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.627 -14.552 -2.283 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.688 -13.620 -1.911 1.00 0.00 C ATOM 690 CE1 HIS A 45 -5.887 -14.747 -3.360 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.706 -14.191 -3.160 1.00 0.00 N ATOM 0 H HIS A 45 -6.939 -12.201 2.102 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.499 -11.406 -0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.644 -13.500 0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.198 -14.185 0.292 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.862 -13.090 -1.461 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.195 -15.272 -4.252 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.933 -14.186 -3.825 1.00 0.00 H new ATOM 700 N PRO A 46 -8.698 -11.812 -1.779 1.00 0.00 N ATOM 701 CA PRO A 46 -10.022 -11.826 -2.409 1.00 0.00 C ATOM 702 C PRO A 46 -10.575 -13.238 -2.565 1.00 0.00 C ATOM 703 O PRO A 46 -11.767 -13.474 -2.364 1.00 0.00 O ATOM 704 CB PRO A 46 -9.768 -11.196 -3.781 1.00 0.00 C ATOM 705 CG PRO A 46 -8.328 -11.460 -4.058 1.00 0.00 C ATOM 706 CD PRO A 46 -7.637 -11.425 -2.723 1.00 0.00 C ATOM 0 HA PRO A 46 -10.763 -11.295 -1.812 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.406 -11.640 -4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.980 -10.127 -3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.195 -12.428 -4.541 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.916 -10.708 -4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.796 -12.117 -2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.243 -10.433 -2.500 1.00 0.00 H new ATOM 714 N ASP A 47 -9.703 -14.174 -2.924 1.00 0.00 N ATOM 715 CA ASP A 47 -10.105 -15.564 -3.106 1.00 0.00 C ATOM 716 C ASP A 47 -10.302 -16.253 -1.759 1.00 0.00 C ATOM 717 O ASP A 47 -11.164 -17.119 -1.612 1.00 0.00 O ATOM 718 CB ASP A 47 -9.058 -16.316 -3.929 1.00 0.00 C ATOM 719 CG ASP A 47 -9.484 -17.735 -4.250 1.00 0.00 C ATOM 720 OD1 ASP A 47 -9.579 -18.553 -3.311 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.723 -18.028 -5.440 1.00 0.00 O ATOM 0 H ASP A 47 -8.713 -13.995 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.054 -15.575 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.874 -15.776 -4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.116 -16.338 -3.381 1.00 0.00 H new ATOM 726 N LYS A 48 -9.495 -15.864 -0.777 1.00 0.00 N ATOM 727 CA LYS A 48 -9.580 -16.442 0.558 1.00 0.00 C ATOM 728 C LYS A 48 -10.720 -15.813 1.353 1.00 0.00 C ATOM 729 O LYS A 48 -10.558 -15.477 2.526 1.00 0.00 O ATOM 730 CB LYS A 48 -8.257 -16.251 1.304 1.00 0.00 C ATOM 731 CG LYS A 48 -7.032 -16.554 0.458 1.00 0.00 C ATOM 732 CD LYS A 48 -6.597 -18.002 0.606 1.00 0.00 C ATOM 733 CE LYS A 48 -5.254 -18.252 -0.062 1.00 0.00 C ATOM 734 NZ LYS A 48 -4.119 -18.041 0.879 1.00 0.00 N ATOM 0 H LYS A 48 -8.774 -15.150 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.780 -17.508 0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.196 -15.223 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.249 -16.895 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.251 -16.344 -0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.214 -15.896 0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.531 -18.257 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.350 -18.656 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.223 -19.272 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.145 -17.586 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.305 -18.611 0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.855 -17.035 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.404 -18.329 1.837 1.00 0.00 H new ATOM 748 N GLN A 49 -11.870 -15.658 0.706 1.00 0.00 N ATOM 749 CA GLN A 49 -13.037 -15.070 1.354 1.00 0.00 C ATOM 750 C GLN A 49 -14.137 -16.109 1.541 1.00 0.00 C ATOM 751 O GLN A 49 -14.002 -17.255 1.114 1.00 0.00 O ATOM 752 CB GLN A 49 -13.564 -13.893 0.532 1.00 0.00 C ATOM 753 CG GLN A 49 -12.590 -12.730 0.440 1.00 0.00 C ATOM 754 CD GLN A 49 -12.350 -12.062 1.779 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.233 -11.395 2.320 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.151 -12.238 2.323 1.00 0.00 N ATOM 0 H GLN A 49 -12.019 -15.931 -0.265 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.733 -14.710 2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.799 -14.240 -0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.496 -13.541 0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.641 -13.087 0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.975 -11.994 -0.265 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.449 -12.799 1.840 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.932 -11.813 3.224 1.00 0.00 H new ATOM 765 N SER A 50 -15.227 -15.700 2.183 1.00 0.00 N ATOM 766 CA SER A 50 -16.350 -16.597 2.430 1.00 0.00 C ATOM 767 C SER A 50 -17.570 -15.819 2.916 1.00 0.00 C ATOM 768 O SER A 50 -17.441 -14.798 3.590 1.00 0.00 O ATOM 769 CB SER A 50 -15.965 -17.659 3.462 1.00 0.00 C ATOM 770 OG SER A 50 -15.255 -18.725 2.856 1.00 0.00 O ATOM 0 H SER A 50 -15.356 -14.754 2.541 1.00 0.00 H new ATOM 0 HA SER A 50 -16.604 -17.088 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 50 -15.353 -17.207 4.242 1.00 0.00 H new ATOM 0 HB3 SER A 50 -16.863 -18.044 3.945 1.00 0.00 H new ATOM 0 HG SER A 50 -14.705 -18.377 2.123 1.00 0.00 H new ATOM 776 N ALA A 51 -18.754 -16.311 2.567 1.00 0.00 N ATOM 777 CA ALA A 51 -19.998 -15.665 2.968 1.00 0.00 C ATOM 778 C ALA A 51 -19.864 -15.024 4.345 1.00 0.00 C ATOM 779 O ALA A 51 -20.399 -13.944 4.593 1.00 0.00 O ATOM 780 CB ALA A 51 -21.141 -16.668 2.959 1.00 0.00 C ATOM 0 H ALA A 51 -18.878 -17.155 2.007 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.217 -14.876 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.063 -16.171 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.260 -17.075 1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -20.920 -17.477 3.655 1.00 0.00 H new ATOM 786 N ASP A 52 -19.148 -15.698 5.239 1.00 0.00 N ATOM 787 CA ASP A 52 -18.945 -15.195 6.592 1.00 0.00 C ATOM 788 C ASP A 52 -18.759 -13.680 6.586 1.00 0.00 C ATOM 789 O ASP A 52 -19.562 -12.944 7.159 1.00 0.00 O ATOM 790 CB ASP A 52 -17.729 -15.868 7.232 1.00 0.00 C ATOM 791 CG ASP A 52 -17.942 -17.351 7.460 1.00 0.00 C ATOM 792 OD1 ASP A 52 -18.670 -17.707 8.411 1.00 0.00 O ATOM 793 OD2 ASP A 52 -17.382 -18.156 6.687 1.00 0.00 O ATOM 0 H ASP A 52 -18.699 -16.594 5.050 1.00 0.00 H new ATOM 0 HA ASP A 52 -19.833 -15.432 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.858 -15.723 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.509 -15.385 8.184 1.00 0.00 H new ATOM 798 N VAL A 53 -17.693 -13.223 5.936 1.00 0.00 N ATOM 799 CA VAL A 53 -17.402 -11.796 5.855 1.00 0.00 C ATOM 800 C VAL A 53 -18.432 -11.072 4.996 1.00 0.00 C ATOM 801 O VAL A 53 -18.783 -11.511 3.901 1.00 0.00 O ATOM 802 CB VAL A 53 -15.997 -11.543 5.276 1.00 0.00 C ATOM 803 CG1 VAL A 53 -14.935 -12.201 6.142 1.00 0.00 C ATOM 804 CG2 VAL A 53 -15.914 -12.045 3.842 1.00 0.00 C ATOM 0 H VAL A 53 -17.017 -13.819 5.458 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.444 -11.406 6.872 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.813 -10.469 5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.950 -12.011 5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.981 -11.789 7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.112 -13.276 6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.915 -11.858 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.119 -13.115 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.649 -11.521 3.230 1.00 0.00 H new ATOM 814 N PRO A 54 -18.931 -9.935 5.503 1.00 0.00 N ATOM 815 CA PRO A 54 -19.928 -9.124 4.798 1.00 0.00 C ATOM 816 C PRO A 54 -19.350 -8.437 3.566 1.00 0.00 C ATOM 817 O PRO A 54 -18.201 -8.673 3.193 1.00 0.00 O ATOM 818 CB PRO A 54 -20.344 -8.086 5.844 1.00 0.00 C ATOM 819 CG PRO A 54 -19.175 -7.981 6.760 1.00 0.00 C ATOM 820 CD PRO A 54 -18.558 -9.352 6.804 1.00 0.00 C ATOM 0 HA PRO A 54 -20.755 -9.728 4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.571 -7.126 5.380 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.240 -8.401 6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.460 -7.243 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.486 -7.661 7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.476 -9.302 6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -18.946 -9.941 7.635 1.00 0.00 H new ATOM 828 N ALA A 55 -20.154 -7.585 2.938 1.00 0.00 N ATOM 829 CA ALA A 55 -19.721 -6.862 1.749 1.00 0.00 C ATOM 830 C ALA A 55 -18.849 -5.667 2.120 1.00 0.00 C ATOM 831 O ALA A 55 -17.880 -5.355 1.429 1.00 0.00 O ATOM 832 CB ALA A 55 -20.927 -6.406 0.940 1.00 0.00 C ATOM 0 H ALA A 55 -21.108 -7.379 3.233 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.123 -7.540 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.589 -5.867 0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.510 -7.275 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.547 -5.749 1.550 1.00 0.00 H new ATOM 838 N GLY A 56 -19.200 -5.001 3.216 1.00 0.00 N ATOM 839 CA GLY A 56 -18.439 -3.848 3.659 1.00 0.00 C ATOM 840 C GLY A 56 -17.010 -4.201 4.022 1.00 0.00 C ATOM 841 O GLY A 56 -16.081 -3.452 3.718 1.00 0.00 O ATOM 0 H GLY A 56 -19.998 -5.240 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.435 -3.095 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.931 -3.402 4.524 1.00 0.00 H new ATOM 845 N THR A 57 -16.832 -5.344 4.675 1.00 0.00 N ATOM 846 CA THR A 57 -15.507 -5.794 5.083 1.00 0.00 C ATOM 847 C THR A 57 -14.589 -5.962 3.878 1.00 0.00 C ATOM 848 O THR A 57 -13.419 -5.582 3.919 1.00 0.00 O ATOM 849 CB THR A 57 -15.577 -7.127 5.850 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.344 -6.963 7.048 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.183 -7.625 6.199 1.00 0.00 C ATOM 0 H THR A 57 -17.590 -5.976 4.933 1.00 0.00 H new ATOM 0 HA THR A 57 -15.102 -5.026 5.742 1.00 0.00 H new ATOM 0 HB THR A 57 -16.059 -7.865 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.131 -7.686 7.675 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.258 -8.568 6.740 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.611 -7.777 5.284 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.679 -6.887 6.823 1.00 0.00 H new ATOM 859 N MET A 58 -15.127 -6.532 2.805 1.00 0.00 N ATOM 860 CA MET A 58 -14.355 -6.748 1.586 1.00 0.00 C ATOM 861 C MET A 58 -13.695 -5.453 1.124 1.00 0.00 C ATOM 862 O MET A 58 -12.530 -5.448 0.728 1.00 0.00 O ATOM 863 CB MET A 58 -15.255 -7.299 0.478 1.00 0.00 C ATOM 864 CG MET A 58 -14.505 -8.108 -0.568 1.00 0.00 C ATOM 865 SD MET A 58 -13.616 -9.507 0.142 1.00 0.00 S ATOM 866 CE MET A 58 -11.919 -8.987 -0.098 1.00 0.00 C ATOM 0 H MET A 58 -16.094 -6.853 2.754 1.00 0.00 H new ATOM 0 HA MET A 58 -13.573 -7.475 1.805 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.026 -7.926 0.926 1.00 0.00 H new ATOM 0 HB3 MET A 58 -15.763 -6.469 -0.012 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.211 -8.472 -1.315 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.799 -7.459 -1.086 1.00 0.00 H new ATOM 0 HE1 MET A 58 -11.265 -9.566 0.554 1.00 0.00 H new ATOM 0 HE2 MET A 58 -11.632 -9.150 -1.137 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.826 -7.928 0.142 1.00 0.00 H new ATOM 876 N GLU A 59 -14.447 -4.358 1.178 1.00 0.00 N ATOM 877 CA GLU A 59 -13.932 -3.058 0.764 1.00 0.00 C ATOM 878 C GLU A 59 -12.618 -2.742 1.472 1.00 0.00 C ATOM 879 O GLU A 59 -11.589 -2.538 0.829 1.00 0.00 O ATOM 880 CB GLU A 59 -14.959 -1.962 1.057 1.00 0.00 C ATOM 881 CG GLU A 59 -14.479 -0.566 0.695 1.00 0.00 C ATOM 882 CD GLU A 59 -14.186 -0.416 -0.785 1.00 0.00 C ATOM 883 OE1 GLU A 59 -14.792 -1.157 -1.588 1.00 0.00 O ATOM 884 OE2 GLU A 59 -13.351 0.441 -1.141 1.00 0.00 O ATOM 0 H GLU A 59 -15.413 -4.345 1.504 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.746 -3.094 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.874 -2.177 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.212 -1.987 2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.236 0.162 0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.579 -0.336 1.265 1.00 0.00 H new ATOM 891 N GLU A 60 -12.663 -2.702 2.800 1.00 0.00 N ATOM 892 CA GLU A 60 -11.476 -2.409 3.595 1.00 0.00 C ATOM 893 C GLU A 60 -10.392 -3.457 3.361 1.00 0.00 C ATOM 894 O GLU A 60 -9.208 -3.130 3.263 1.00 0.00 O ATOM 895 CB GLU A 60 -11.833 -2.353 5.082 1.00 0.00 C ATOM 896 CG GLU A 60 -12.618 -1.113 5.473 1.00 0.00 C ATOM 897 CD GLU A 60 -11.851 0.169 5.213 1.00 0.00 C ATOM 898 OE1 GLU A 60 -10.747 0.324 5.777 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.354 1.017 4.447 1.00 0.00 O ATOM 0 H GLU A 60 -13.507 -2.869 3.347 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.092 -1.438 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.415 -3.238 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.915 -2.392 5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.555 -1.090 4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.876 -1.169 6.530 1.00 0.00 H new ATOM 906 N CYS A 61 -10.804 -4.717 3.272 1.00 0.00 N ATOM 907 CA CYS A 61 -9.868 -5.813 3.050 1.00 0.00 C ATOM 908 C CYS A 61 -8.924 -5.497 1.895 1.00 0.00 C ATOM 909 O CYS A 61 -7.741 -5.836 1.937 1.00 0.00 O ATOM 910 CB CYS A 61 -10.628 -7.109 2.763 1.00 0.00 C ATOM 911 SG CYS A 61 -11.105 -8.029 4.245 1.00 0.00 S ATOM 0 H CYS A 61 -11.779 -5.005 3.350 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.275 -5.940 3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.525 -6.872 2.191 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.009 -7.749 2.135 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.744 -9.107 3.900 1.00 0.00 H new ATOM 917 N MET A 62 -9.455 -4.848 0.864 1.00 0.00 N ATOM 918 CA MET A 62 -8.659 -4.486 -0.303 1.00 0.00 C ATOM 919 C MET A 62 -7.501 -3.574 0.090 1.00 0.00 C ATOM 920 O MET A 62 -6.342 -3.986 0.073 1.00 0.00 O ATOM 921 CB MET A 62 -9.535 -3.796 -1.351 1.00 0.00 C ATOM 922 CG MET A 62 -9.088 -4.053 -2.781 1.00 0.00 C ATOM 923 SD MET A 62 -9.636 -5.655 -3.402 1.00 0.00 S ATOM 924 CE MET A 62 -8.164 -6.207 -4.261 1.00 0.00 C ATOM 0 H MET A 62 -10.433 -4.562 0.813 1.00 0.00 H new ATOM 0 HA MET A 62 -8.248 -5.401 -0.729 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.564 -4.136 -1.234 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.532 -2.722 -1.165 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.477 -3.265 -3.426 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.001 -4.000 -2.833 1.00 0.00 H new ATOM 0 HE1 MET A 62 -8.346 -7.188 -4.701 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.915 -5.496 -5.049 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.335 -6.273 -3.556 1.00 0.00 H new ATOM 934 N GLN A 63 -7.824 -2.334 0.442 1.00 0.00 N ATOM 935 CA GLN A 63 -6.810 -1.364 0.838 1.00 0.00 C ATOM 936 C GLN A 63 -5.680 -2.041 1.607 1.00 0.00 C ATOM 937 O GLN A 63 -4.507 -1.722 1.416 1.00 0.00 O ATOM 938 CB GLN A 63 -7.436 -0.260 1.693 1.00 0.00 C ATOM 939 CG GLN A 63 -8.379 0.648 0.920 1.00 0.00 C ATOM 940 CD GLN A 63 -7.777 1.141 -0.382 1.00 0.00 C ATOM 941 OE1 GLN A 63 -6.905 2.010 -0.385 1.00 0.00 O ATOM 942 NE2 GLN A 63 -8.242 0.589 -1.496 1.00 0.00 N ATOM 0 H GLN A 63 -8.779 -1.977 0.461 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.394 -0.921 -0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.981 -0.717 2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.641 0.344 2.131 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.303 0.110 0.708 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.644 1.504 1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.965 -0.128 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.876 0.882 -2.402 1.00 0.00 H new ATOM 951 N LYS A 64 -6.042 -2.976 2.478 1.00 0.00 N ATOM 952 CA LYS A 64 -5.060 -3.700 3.276 1.00 0.00 C ATOM 953 C LYS A 64 -4.187 -4.586 2.393 1.00 0.00 C ATOM 954 O LYS A 64 -2.964 -4.446 2.372 1.00 0.00 O ATOM 955 CB LYS A 64 -5.761 -4.552 4.337 1.00 0.00 C ATOM 956 CG LYS A 64 -6.540 -3.736 5.354 1.00 0.00 C ATOM 957 CD LYS A 64 -5.615 -3.057 6.350 1.00 0.00 C ATOM 958 CE LYS A 64 -6.393 -2.438 7.501 1.00 0.00 C ATOM 959 NZ LYS A 64 -7.189 -1.259 7.062 1.00 0.00 N ATOM 0 H LYS A 64 -7.009 -3.251 2.649 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.421 -2.968 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.441 -5.246 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.016 -5.153 4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.136 -2.983 4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.236 -4.385 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.902 -3.784 6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.037 -2.284 5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.059 -3.185 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.700 -2.136 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.705 -0.866 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.552 -0.535 6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.868 -1.551 6.330 1.00 0.00 H new ATOM 973 N PHE A 65 -4.823 -5.496 1.664 1.00 0.00 N ATOM 974 CA PHE A 65 -4.104 -6.405 0.778 1.00 0.00 C ATOM 975 C PHE A 65 -3.063 -5.652 -0.044 1.00 0.00 C ATOM 976 O PHE A 65 -1.870 -5.954 0.019 1.00 0.00 O ATOM 977 CB PHE A 65 -5.083 -7.124 -0.153 1.00 0.00 C ATOM 978 CG PHE A 65 -4.431 -8.162 -1.022 1.00 0.00 C ATOM 979 CD1 PHE A 65 -3.972 -9.350 -0.478 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.278 -7.948 -2.382 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.372 -10.308 -1.274 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.679 -8.902 -3.183 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.225 -10.083 -2.629 1.00 0.00 C ATOM 0 H PHE A 65 -5.835 -5.624 1.669 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.591 -7.143 1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.860 -7.599 0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.576 -6.388 -0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.084 -9.530 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.630 -7.026 -2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.019 -11.231 -0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.566 -8.724 -4.242 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.756 -10.829 -3.254 1.00 0.00 H new ATOM 993 N ILE A 66 -3.521 -4.672 -0.815 1.00 0.00 N ATOM 994 CA ILE A 66 -2.630 -3.875 -1.649 1.00 0.00 C ATOM 995 C ILE A 66 -1.390 -3.443 -0.872 1.00 0.00 C ATOM 996 O ILE A 66 -0.263 -3.688 -1.299 1.00 0.00 O ATOM 997 CB ILE A 66 -3.340 -2.624 -2.197 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.379 -3.020 -3.249 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.326 -1.654 -2.786 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.758 -3.258 -2.676 1.00 0.00 C ATOM 0 H ILE A 66 -4.505 -4.411 -0.880 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.331 -4.508 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.854 -2.127 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.438 -2.235 -4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.044 -3.925 -3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.844 -0.775 -3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.620 -1.351 -2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.787 -2.140 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.442 -3.535 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.713 -4.063 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.114 -2.348 -2.194 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.609 -2.801 0.271 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.509 -2.336 1.107 1.00 0.00 C ATOM 1014 C GLU A 67 0.437 -3.483 1.449 1.00 0.00 C ATOM 1015 O GLU A 67 1.649 -3.381 1.254 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.048 -1.704 2.393 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.707 -0.352 2.177 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.536 0.090 3.367 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -2.992 -0.788 4.130 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -2.729 1.312 3.536 1.00 0.00 O ATOM 0 H GLU A 67 -2.537 -2.591 0.639 1.00 0.00 H new ATOM 0 HA GLU A 67 0.047 -1.584 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.771 -2.383 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.229 -1.590 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.939 0.395 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.343 -0.399 1.293 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.125 -4.573 1.960 1.00 0.00 N ATOM 1028 CA ILE A 68 0.668 -5.739 2.329 1.00 0.00 C ATOM 1029 C ILE A 68 1.499 -6.234 1.150 1.00 0.00 C ATOM 1030 O ILE A 68 2.728 -6.266 1.213 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.223 -6.890 2.833 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.082 -6.421 4.009 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.630 -8.084 3.235 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.397 -7.159 4.130 1.00 0.00 C ATOM 0 H ILE A 68 -1.126 -4.673 2.128 1.00 0.00 H new ATOM 0 HA ILE A 68 1.333 -5.426 3.134 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.885 -7.198 2.024 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.518 -6.547 4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.282 -5.355 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.014 -8.889 3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.202 -8.429 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.314 -7.791 4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.953 -6.774 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.981 -7.013 3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.206 -8.223 4.271 1.00 0.00 H new ATOM 1046 N ASP A 69 0.820 -6.617 0.074 1.00 0.00 N ATOM 1047 CA ASP A 69 1.495 -7.107 -1.122 1.00 0.00 C ATOM 1048 C ASP A 69 2.662 -6.200 -1.498 1.00 0.00 C ATOM 1049 O ASP A 69 3.626 -6.640 -2.124 1.00 0.00 O ATOM 1050 CB ASP A 69 0.510 -7.201 -2.288 1.00 0.00 C ATOM 1051 CG ASP A 69 1.041 -8.048 -3.428 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.876 -7.540 -4.205 1.00 0.00 O ATOM 1053 OD2 ASP A 69 0.622 -9.219 -3.542 1.00 0.00 O ATOM 0 H ASP A 69 -0.198 -6.597 0.006 1.00 0.00 H new ATOM 0 HA ASP A 69 1.886 -8.101 -0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.430 -7.623 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.290 -6.199 -2.656 1.00 0.00 H new ATOM 1058 N GLN A 70 2.567 -4.931 -1.113 1.00 0.00 N ATOM 1059 CA GLN A 70 3.614 -3.962 -1.411 1.00 0.00 C ATOM 1060 C GLN A 70 4.742 -4.047 -0.389 1.00 0.00 C ATOM 1061 O GLN A 70 5.912 -4.173 -0.749 1.00 0.00 O ATOM 1062 CB GLN A 70 3.036 -2.546 -1.434 1.00 0.00 C ATOM 1063 CG GLN A 70 2.252 -2.229 -2.698 1.00 0.00 C ATOM 1064 CD GLN A 70 1.468 -0.936 -2.589 1.00 0.00 C ATOM 1065 OE1 GLN A 70 1.447 -0.296 -1.538 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.816 -0.546 -3.678 1.00 0.00 N ATOM 0 H GLN A 70 1.775 -4.551 -0.594 1.00 0.00 H new ATOM 0 HA GLN A 70 4.022 -4.197 -2.394 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.385 -2.414 -0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.850 -1.828 -1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.940 -2.162 -3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.566 -3.049 -2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.861 -1.108 -4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.270 0.315 -3.664 1.00 0.00 H new ATOM 1075 N ALA A 71 4.383 -3.976 0.889 1.00 0.00 N ATOM 1076 CA ALA A 71 5.365 -4.046 1.964 1.00 0.00 C ATOM 1077 C ALA A 71 6.423 -5.105 1.672 1.00 0.00 C ATOM 1078 O ALA A 71 7.594 -4.935 2.011 1.00 0.00 O ATOM 1079 CB ALA A 71 4.676 -4.337 3.289 1.00 0.00 C ATOM 0 H ALA A 71 3.419 -3.870 1.205 1.00 0.00 H new ATOM 0 HA ALA A 71 5.864 -3.079 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.421 -4.387 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.962 -3.543 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.151 -5.290 3.224 1.00 0.00 H new ATOM 1085 N TRP A 72 6.003 -6.196 1.043 1.00 0.00 N ATOM 1086 CA TRP A 72 6.916 -7.283 0.706 1.00 0.00 C ATOM 1087 C TRP A 72 7.857 -6.874 -0.422 1.00 0.00 C ATOM 1088 O TRP A 72 9.033 -7.238 -0.426 1.00 0.00 O ATOM 1089 CB TRP A 72 6.129 -8.531 0.304 1.00 0.00 C ATOM 1090 CG TRP A 72 6.979 -9.761 0.200 1.00 0.00 C ATOM 1091 CD1 TRP A 72 7.143 -10.554 -0.900 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.779 -10.340 1.237 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.997 -11.591 -0.609 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.402 -11.481 0.695 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.032 -10.004 2.570 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.259 -12.286 1.441 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 8.882 -10.804 3.309 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.488 -11.934 2.743 1.00 0.00 C ATOM 0 H TRP A 72 5.037 -6.352 0.756 1.00 0.00 H new ATOM 0 HA TRP A 72 7.515 -7.508 1.589 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.339 -8.705 1.035 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.643 -8.352 -0.655 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.671 -10.390 -1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.283 -12.324 -1.259 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.571 -9.134 3.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.726 -13.158 1.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.083 -10.554 4.340 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.149 -12.539 3.347 1.00 0.00 H new ATOM 1109 N LYS A 73 7.332 -6.116 -1.378 1.00 0.00 N ATOM 1110 CA LYS A 73 8.126 -5.655 -2.512 1.00 0.00 C ATOM 1111 C LYS A 73 9.421 -5.003 -2.040 1.00 0.00 C ATOM 1112 O LYS A 73 10.464 -5.137 -2.681 1.00 0.00 O ATOM 1113 CB LYS A 73 7.321 -4.664 -3.355 1.00 0.00 C ATOM 1114 CG LYS A 73 6.157 -5.300 -4.096 1.00 0.00 C ATOM 1115 CD LYS A 73 5.788 -4.508 -5.339 1.00 0.00 C ATOM 1116 CE LYS A 73 5.097 -3.201 -4.982 1.00 0.00 C ATOM 1117 NZ LYS A 73 4.635 -2.468 -6.194 1.00 0.00 N ATOM 0 H LYS A 73 6.360 -5.807 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 73 8.378 -6.521 -3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.940 -3.874 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.986 -4.191 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.418 -6.320 -4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.294 -5.363 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.687 -4.299 -5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.133 -5.106 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.244 -3.406 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.783 -2.571 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.169 -1.583 -5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.452 -2.250 -6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.961 -3.059 -6.721 1.00 0.00 H new ATOM 1131 N ILE A 74 9.348 -4.298 -0.916 1.00 0.00 N ATOM 1132 CA ILE A 74 10.516 -3.628 -0.358 1.00 0.00 C ATOM 1133 C ILE A 74 11.185 -4.486 0.710 1.00 0.00 C ATOM 1134 O ILE A 74 12.402 -4.677 0.697 1.00 0.00 O ATOM 1135 CB ILE A 74 10.144 -2.264 0.254 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.552 -1.345 -0.816 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.364 -1.622 0.897 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.117 -1.671 -1.166 1.00 0.00 C ATOM 0 H ILE A 74 8.493 -4.176 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 74 11.212 -3.470 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 74 9.391 -2.422 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.607 -0.313 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.161 -1.411 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.085 -0.659 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.745 -2.272 1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.137 -1.474 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.763 -0.980 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.058 -2.692 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.495 -1.577 -0.276 1.00 0.00 H new ATOM 1150 N LEU A 75 10.382 -5.004 1.633 1.00 0.00 N ATOM 1151 CA LEU A 75 10.895 -5.846 2.708 1.00 0.00 C ATOM 1152 C LEU A 75 10.940 -7.309 2.281 1.00 0.00 C ATOM 1153 O LEU A 75 10.830 -8.212 3.109 1.00 0.00 O ATOM 1154 CB LEU A 75 10.028 -5.694 3.959 1.00 0.00 C ATOM 1155 CG LEU A 75 9.876 -4.273 4.502 1.00 0.00 C ATOM 1156 CD1 LEU A 75 9.051 -4.275 5.780 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.241 -3.647 4.748 1.00 0.00 C ATOM 0 H LEU A 75 9.373 -4.856 1.659 1.00 0.00 H new ATOM 0 HA LEU A 75 11.911 -5.523 2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.035 -6.085 3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.449 -6.319 4.746 1.00 0.00 H new ATOM 0 HG LEU A 75 9.353 -3.674 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.954 -3.255 6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.061 -4.682 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.546 -4.889 6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.113 -2.636 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.791 -4.246 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.798 -3.610 3.812 1.00 0.00 H new ATOM 1169 N GLY A 76 11.105 -7.536 0.981 1.00 0.00 N ATOM 1170 CA GLY A 76 11.164 -8.892 0.466 1.00 0.00 C ATOM 1171 C GLY A 76 12.564 -9.291 0.043 1.00 0.00 C ATOM 1172 O GLY A 76 13.009 -10.404 0.319 1.00 0.00 O ATOM 0 H GLY A 76 11.199 -6.805 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.808 -9.583 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.490 -8.983 -0.386 1.00 0.00 H new ATOM 1176 N ASN A 77 13.258 -8.381 -0.631 1.00 0.00 N ATOM 1177 CA ASN A 77 14.615 -8.645 -1.096 1.00 0.00 C ATOM 1178 C ASN A 77 15.641 -7.968 -0.192 1.00 0.00 C ATOM 1179 O ASN A 77 15.336 -6.984 0.481 1.00 0.00 O ATOM 1180 CB ASN A 77 14.787 -8.157 -2.536 1.00 0.00 C ATOM 1181 CG ASN A 77 16.151 -8.502 -3.104 1.00 0.00 C ATOM 1182 OD1 ASN A 77 16.642 -9.618 -2.935 1.00 0.00 O ATOM 1183 ND2 ASN A 77 16.769 -7.541 -3.782 1.00 0.00 N ATOM 0 H ASN A 77 12.904 -7.454 -0.868 1.00 0.00 H new ATOM 0 HA ASN A 77 14.781 -9.722 -1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.013 -8.601 -3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.645 -7.077 -2.570 1.00 0.00 H new ATOM 0 HD21 ASN A 77 17.689 -7.714 -4.188 1.00 0.00 H new ATOM 0 HD22 ASN A 77 16.324 -6.631 -3.897 1.00 0.00 H new ATOM 1190 N GLU A 78 16.859 -8.502 -0.184 1.00 0.00 N ATOM 1191 CA GLU A 78 17.929 -7.949 0.638 1.00 0.00 C ATOM 1192 C GLU A 78 18.265 -6.525 0.207 1.00 0.00 C ATOM 1193 O GLU A 78 18.399 -5.629 1.040 1.00 0.00 O ATOM 1194 CB GLU A 78 19.178 -8.829 0.547 1.00 0.00 C ATOM 1195 CG GLU A 78 20.172 -8.592 1.671 1.00 0.00 C ATOM 1196 CD GLU A 78 21.283 -9.624 1.695 1.00 0.00 C ATOM 1197 OE1 GLU A 78 21.031 -10.755 2.162 1.00 0.00 O ATOM 1198 OE2 GLU A 78 22.403 -9.302 1.247 1.00 0.00 O ATOM 0 H GLU A 78 17.129 -9.316 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 78 17.584 -7.926 1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.876 -9.876 0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.672 -8.647 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.607 -7.598 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.646 -8.608 2.626 1.00 0.00 H new ATOM 1205 N GLU A 79 18.399 -6.324 -1.101 1.00 0.00 N ATOM 1206 CA GLU A 79 18.721 -5.009 -1.642 1.00 0.00 C ATOM 1207 C GLU A 79 17.682 -3.976 -1.215 1.00 0.00 C ATOM 1208 O GLU A 79 18.011 -2.971 -0.583 1.00 0.00 O ATOM 1209 CB GLU A 79 18.801 -5.067 -3.169 1.00 0.00 C ATOM 1210 CG GLU A 79 19.109 -3.726 -3.813 1.00 0.00 C ATOM 1211 CD GLU A 79 19.631 -3.866 -5.230 1.00 0.00 C ATOM 1212 OE1 GLU A 79 18.866 -4.331 -6.101 1.00 0.00 O ATOM 1213 OE2 GLU A 79 20.804 -3.510 -5.468 1.00 0.00 O ATOM 0 H GLU A 79 18.290 -7.055 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 79 19.691 -4.709 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.570 -5.784 -3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.854 -5.440 -3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.206 -3.115 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.846 -3.198 -3.209 1.00 0.00 H new ATOM 1220 N THR A 80 16.425 -4.230 -1.565 1.00 0.00 N ATOM 1221 CA THR A 80 15.337 -3.323 -1.220 1.00 0.00 C ATOM 1222 C THR A 80 15.243 -3.126 0.288 1.00 0.00 C ATOM 1223 O THR A 80 15.285 -1.998 0.781 1.00 0.00 O ATOM 1224 CB THR A 80 13.985 -3.843 -1.744 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.785 -5.198 -1.325 1.00 0.00 O ATOM 1226 CG2 THR A 80 13.925 -3.762 -3.262 1.00 0.00 C ATOM 0 H THR A 80 16.135 -5.057 -2.087 1.00 0.00 H new ATOM 0 HA THR A 80 15.559 -2.367 -1.695 1.00 0.00 H new ATOM 0 HB THR A 80 13.195 -3.215 -1.331 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.229 -5.212 -0.518 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.961 -4.135 -3.608 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.048 -2.725 -3.576 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.723 -4.368 -3.691 1.00 0.00 H new ATOM 1234 N LYS A 81 15.115 -4.229 1.018 1.00 0.00 N ATOM 1235 CA LYS A 81 15.017 -4.178 2.472 1.00 0.00 C ATOM 1236 C LYS A 81 16.181 -3.393 3.069 1.00 0.00 C ATOM 1237 O LYS A 81 15.993 -2.568 3.963 1.00 0.00 O ATOM 1238 CB LYS A 81 14.993 -5.594 3.052 1.00 0.00 C ATOM 1239 CG LYS A 81 14.617 -5.642 4.522 1.00 0.00 C ATOM 1240 CD LYS A 81 15.842 -5.540 5.415 1.00 0.00 C ATOM 1241 CE LYS A 81 15.633 -6.267 6.735 1.00 0.00 C ATOM 1242 NZ LYS A 81 15.544 -7.741 6.548 1.00 0.00 N ATOM 0 H LYS A 81 15.077 -5.170 0.626 1.00 0.00 H new ATOM 0 HA LYS A 81 14.088 -3.670 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.285 -6.198 2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.975 -6.048 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.931 -4.826 4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.088 -6.572 4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.705 -5.961 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.066 -4.491 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 81 16.456 -6.036 7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.720 -5.905 7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.692 -8.101 7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.492 -7.960 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.386 -8.194 6.957 1.00 0.00 H new ATOM 1256 N LYS A 82 17.383 -3.654 2.568 1.00 0.00 N ATOM 1257 CA LYS A 82 18.578 -2.970 3.049 1.00 0.00 C ATOM 1258 C LYS A 82 18.508 -1.476 2.750 1.00 0.00 C ATOM 1259 O LYS A 82 18.635 -0.645 3.649 1.00 0.00 O ATOM 1260 CB LYS A 82 19.829 -3.572 2.404 1.00 0.00 C ATOM 1261 CG LYS A 82 21.128 -3.016 2.963 1.00 0.00 C ATOM 1262 CD LYS A 82 22.257 -3.115 1.951 1.00 0.00 C ATOM 1263 CE LYS A 82 23.438 -2.241 2.347 1.00 0.00 C ATOM 1264 NZ LYS A 82 24.362 -2.947 3.278 1.00 0.00 N ATOM 0 H LYS A 82 17.556 -4.335 1.828 1.00 0.00 H new ATOM 0 HA LYS A 82 18.633 -3.104 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.816 -4.653 2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.798 -3.390 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.985 -1.974 3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.399 -3.561 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.582 -4.152 1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.894 -2.814 0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.983 -1.940 1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.073 -1.329 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 25.153 -2.319 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.848 -3.212 4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 24.730 -3.804 2.818 1.00 0.00 H new ATOM 1278 N LYS A 83 18.302 -1.140 1.481 1.00 0.00 N ATOM 1279 CA LYS A 83 18.212 0.253 1.062 1.00 0.00 C ATOM 1280 C LYS A 83 17.151 0.995 1.868 1.00 0.00 C ATOM 1281 O LYS A 83 17.423 2.044 2.454 1.00 0.00 O ATOM 1282 CB LYS A 83 17.886 0.339 -0.431 1.00 0.00 C ATOM 1283 CG LYS A 83 18.997 -0.181 -1.326 1.00 0.00 C ATOM 1284 CD LYS A 83 18.446 -0.770 -2.614 1.00 0.00 C ATOM 1285 CE LYS A 83 17.937 0.315 -3.551 1.00 0.00 C ATOM 1286 NZ LYS A 83 19.054 1.082 -4.169 1.00 0.00 N ATOM 0 H LYS A 83 18.194 -1.815 0.724 1.00 0.00 H new ATOM 0 HA LYS A 83 19.178 0.724 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.976 -0.227 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.678 1.377 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.686 0.630 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.569 -0.940 -0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 83 19.224 -1.347 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.636 -1.461 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.330 -0.138 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 83 17.289 0.997 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.683 1.681 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.504 1.681 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.756 0.420 -4.557 1.00 0.00 H new ATOM 1300 N TYR A 84 15.942 0.445 1.895 1.00 0.00 N ATOM 1301 CA TYR A 84 14.840 1.055 2.629 1.00 0.00 C ATOM 1302 C TYR A 84 15.292 1.506 4.015 1.00 0.00 C ATOM 1303 O TYR A 84 15.246 2.692 4.340 1.00 0.00 O ATOM 1304 CB TYR A 84 13.676 0.071 2.755 1.00 0.00 C ATOM 1305 CG TYR A 84 12.450 0.664 3.411 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.780 1.737 2.836 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.962 0.153 4.607 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.660 2.282 3.432 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.841 0.691 5.210 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.194 1.756 4.619 1.00 0.00 C ATOM 1311 OH TYR A 84 9.079 2.296 5.217 1.00 0.00 O ATOM 0 H TYR A 84 15.700 -0.423 1.417 1.00 0.00 H new ATOM 0 HA TYR A 84 14.507 1.931 2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.408 -0.290 1.762 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.003 -0.794 3.331 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.142 2.152 1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.468 -0.679 5.074 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.151 3.116 2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.474 0.280 6.139 1.00 0.00 H new ATOM 0 HH TYR A 84 8.369 2.403 4.550 1.00 0.00 H new ATOM 1321 N ASP A 85 15.728 0.549 4.828 1.00 0.00 N ATOM 1322 CA ASP A 85 16.190 0.846 6.179 1.00 0.00 C ATOM 1323 C ASP A 85 16.923 2.183 6.221 1.00 0.00 C ATOM 1324 O ASP A 85 16.672 3.013 7.096 1.00 0.00 O ATOM 1325 CB ASP A 85 17.109 -0.269 6.682 1.00 0.00 C ATOM 1326 CG ASP A 85 17.042 -0.438 8.187 1.00 0.00 C ATOM 1327 OD1 ASP A 85 17.791 0.266 8.898 1.00 0.00 O ATOM 1328 OD2 ASP A 85 16.241 -1.274 8.655 1.00 0.00 O ATOM 0 H ASP A 85 15.771 -0.438 4.575 1.00 0.00 H new ATOM 0 HA ASP A 85 15.318 0.910 6.830 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.834 -1.208 6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.136 -0.050 6.389 1.00 0.00 H new ATOM 1333 N LEU A 86 17.830 2.386 5.272 1.00 0.00 N ATOM 1334 CA LEU A 86 18.600 3.622 5.201 1.00 0.00 C ATOM 1335 C LEU A 86 17.719 4.788 4.765 1.00 0.00 C ATOM 1336 O LEU A 86 17.773 5.871 5.347 1.00 0.00 O ATOM 1337 CB LEU A 86 19.772 3.462 4.230 1.00 0.00 C ATOM 1338 CG LEU A 86 20.970 2.667 4.750 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.552 3.329 5.990 1.00 0.00 C ATOM 1340 CD2 LEU A 86 20.568 1.231 5.050 1.00 0.00 C ATOM 0 H LEU A 86 18.050 1.710 4.541 1.00 0.00 H new ATOM 0 HA LEU A 86 18.988 3.836 6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.405 2.977 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.117 4.455 3.942 1.00 0.00 H new ATOM 0 HG LEU A 86 21.737 2.654 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.404 2.749 6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.878 4.339 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.792 3.373 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.433 0.680 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.783 1.223 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.199 0.759 4.140 1.00 0.00 H new ATOM 1352 N GLN A 87 16.908 4.558 3.737 1.00 0.00 N ATOM 1353 CA GLN A 87 16.014 5.590 3.224 1.00 0.00 C ATOM 1354 C GLN A 87 15.129 6.145 4.336 1.00 0.00 C ATOM 1355 O GLN A 87 14.954 7.358 4.455 1.00 0.00 O ATOM 1356 CB GLN A 87 15.145 5.027 2.098 1.00 0.00 C ATOM 1357 CG GLN A 87 15.870 4.923 0.765 1.00 0.00 C ATOM 1358 CD GLN A 87 15.973 6.256 0.051 1.00 0.00 C ATOM 1359 OE1 GLN A 87 16.705 7.149 0.480 1.00 0.00 O ATOM 1360 NE2 GLN A 87 15.238 6.399 -1.046 1.00 0.00 N ATOM 0 H GLN A 87 16.852 3.667 3.243 1.00 0.00 H new ATOM 0 HA GLN A 87 16.625 6.403 2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.787 4.038 2.386 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.267 5.661 1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.871 4.526 0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.347 4.212 0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.645 5.633 -1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.266 7.275 -1.568 1.00 0.00 H new ATOM 1369 N ARG A 88 14.573 5.250 5.146 1.00 0.00 N ATOM 1370 CA ARG A 88 13.705 5.651 6.246 1.00 0.00 C ATOM 1371 C ARG A 88 14.247 6.898 6.940 1.00 0.00 C ATOM 1372 O ARG A 88 13.563 7.917 7.031 1.00 0.00 O ATOM 1373 CB ARG A 88 13.568 4.511 7.257 1.00 0.00 C ATOM 1374 CG ARG A 88 13.166 3.186 6.630 1.00 0.00 C ATOM 1375 CD ARG A 88 12.592 2.231 7.665 1.00 0.00 C ATOM 1376 NE ARG A 88 13.637 1.480 8.355 1.00 0.00 N ATOM 1377 CZ ARG A 88 14.295 1.939 9.414 1.00 0.00 C ATOM 1378 NH1 ARG A 88 14.017 3.140 9.902 1.00 0.00 N ATOM 1379 NH2 ARG A 88 15.232 1.195 9.988 1.00 0.00 N ATOM 0 H ARG A 88 14.708 4.243 5.061 1.00 0.00 H new ATOM 0 HA ARG A 88 12.723 5.883 5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.516 4.383 7.779 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.827 4.788 8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.428 3.362 5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.034 2.729 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.009 2.794 8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.908 1.536 7.177 1.00 0.00 H new ATOM 0 HE ARG A 88 13.875 0.552 8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 88 13.296 3.714 9.464 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.524 3.490 10.715 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.448 0.270 9.616 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.737 1.548 10.801 1.00 0.00 H new ATOM 1393 N SER A 89 15.480 6.808 7.428 1.00 0.00 N ATOM 1394 CA SER A 89 16.113 7.927 8.117 1.00 0.00 C ATOM 1395 C SER A 89 17.012 8.712 7.167 1.00 0.00 C ATOM 1396 O SER A 89 18.191 8.397 7.008 1.00 0.00 O ATOM 1397 CB SER A 89 16.927 7.424 9.310 1.00 0.00 C ATOM 1398 OG SER A 89 17.951 6.538 8.891 1.00 0.00 O ATOM 0 H SER A 89 16.061 5.972 7.359 1.00 0.00 H new ATOM 0 HA SER A 89 15.327 8.591 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 89 17.367 8.271 9.837 1.00 0.00 H new ATOM 0 HB3 SER A 89 16.269 6.917 10.015 1.00 0.00 H new ATOM 0 HG SER A 89 18.370 6.885 8.076 1.00 0.00 H new ATOM 1404 N GLY A 90 16.446 9.737 6.537 1.00 0.00 N ATOM 1405 CA GLY A 90 17.210 10.552 5.611 1.00 0.00 C ATOM 1406 C GLY A 90 17.533 9.818 4.324 1.00 0.00 C ATOM 1407 O GLY A 90 17.437 8.593 4.242 1.00 0.00 O ATOM 0 H GLY A 90 15.472 10.017 6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 90 16.648 11.457 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.138 10.867 6.089 1.00 0.00 H new ATOM 1411 N PRO A 91 17.923 10.576 3.288 1.00 0.00 N ATOM 1412 CA PRO A 91 18.268 10.011 1.980 1.00 0.00 C ATOM 1413 C PRO A 91 19.569 9.217 2.016 1.00 0.00 C ATOM 1414 O PRO A 91 20.024 8.708 0.992 1.00 0.00 O ATOM 1415 CB PRO A 91 18.420 11.247 1.090 1.00 0.00 C ATOM 1416 CG PRO A 91 18.774 12.349 2.028 1.00 0.00 C ATOM 1417 CD PRO A 91 18.060 12.042 3.315 1.00 0.00 C ATOM 0 HA PRO A 91 17.515 9.305 1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 91 19.197 11.101 0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 91 17.496 11.465 0.554 1.00 0.00 H new ATOM 0 HG2 PRO A 91 19.852 12.399 2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 91 18.463 13.315 1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 91 18.631 12.376 4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 91 17.089 12.535 3.364 1.00 0.00 H new ATOM 1425 N SER A 92 20.162 9.114 3.201 1.00 0.00 N ATOM 1426 CA SER A 92 21.413 8.383 3.369 1.00 0.00 C ATOM 1427 C SER A 92 22.579 9.157 2.762 1.00 0.00 C ATOM 1428 O SER A 92 23.438 8.584 2.092 1.00 0.00 O ATOM 1429 CB SER A 92 21.311 7.001 2.721 1.00 0.00 C ATOM 1430 OG SER A 92 22.295 6.122 3.239 1.00 0.00 O ATOM 0 H SER A 92 19.797 9.527 4.059 1.00 0.00 H new ATOM 0 HA SER A 92 21.595 8.263 4.437 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.319 6.586 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 92 21.432 7.092 1.642 1.00 0.00 H new ATOM 0 HG SER A 92 23.184 6.514 3.110 1.00 0.00 H new ATOM 1436 N SER A 93 22.603 10.464 3.003 1.00 0.00 N ATOM 1437 CA SER A 93 23.661 11.319 2.478 1.00 0.00 C ATOM 1438 C SER A 93 25.010 10.951 3.089 1.00 0.00 C ATOM 1439 O SER A 93 25.981 10.705 2.375 1.00 0.00 O ATOM 1440 CB SER A 93 23.345 12.789 2.761 1.00 0.00 C ATOM 1441 OG SER A 93 24.404 13.629 2.335 1.00 0.00 O ATOM 0 H SER A 93 21.902 10.954 3.559 1.00 0.00 H new ATOM 0 HA SER A 93 23.716 11.167 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 93 22.425 13.071 2.250 1.00 0.00 H new ATOM 0 HB3 SER A 93 23.173 12.928 3.828 1.00 0.00 H new ATOM 0 HG SER A 93 24.177 14.563 2.525 1.00 0.00 H new ATOM 1447 N GLY A 94 25.062 10.915 4.417 1.00 0.00 N ATOM 1448 CA GLY A 94 26.295 10.576 5.103 1.00 0.00 C ATOM 1449 C GLY A 94 26.051 9.839 6.404 1.00 0.00 C ATOM 1450 O GLY A 94 26.872 9.025 6.828 1.00 0.00 O ATOM 0 H GLY A 94 24.272 11.115 5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 94 26.913 9.959 4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 94 26.857 11.488 5.305 1.00 0.00 H new TER 1454 GLY A 94