USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 377 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 Single : A 1 GLY N :NH3+ -125:sc= 0.0596 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -159:sc= -0.537 (180deg=-1.35) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.088 USER MOD Single : A 13 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 18 GLN : amide:sc= -2.08 X(o=-2.1,f=-2.4!) USER MOD Single : A 25 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.56) USER MOD Single : A 28 GLN : amide:sc= -0.186 K(o=-0.19,f=-0.97) USER MOD Single : A 29 GLN : amide:sc= -0.021 X(o=-0.021,f=-0.018) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 56:sc= -0.205 USER MOD Single : A 37 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.083) USER MOD Single : A 40 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.067 USER MOD Single : A 44 GLN : amide:sc= -0.0263 X(o=-0.026,f=-0.34) USER MOD Single : A 45 GLN : amide:sc= -0.813 K(o=-0.81,f=-2.1!) USER MOD Single : A 46 CYS SG : rot 180:sc= -0.284 USER MOD Single : A 47 GLN : amide:sc= -9.31! C(o=-9.3!,f=-10!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.774 -12.401 -13.412 1.00 0.00 N ATOM 2 CA GLY A 1 -3.057 -10.977 -13.436 1.00 0.00 C ATOM 3 C GLY A 1 -4.227 -10.665 -14.371 1.00 0.00 C ATOM 4 O GLY A 1 -5.067 -11.526 -14.628 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.801 -12.744 -12.430 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.488 -12.906 -13.975 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.830 -12.574 -13.814 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.290 -10.632 -12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.171 -10.432 -13.762 1.00 0.00 H new ATOM 8 N SER A 2 -4.244 -9.431 -14.855 1.00 0.00 N ATOM 9 CA SER A 2 -5.297 -8.996 -15.756 1.00 0.00 C ATOM 10 C SER A 2 -5.072 -9.590 -17.149 1.00 0.00 C ATOM 11 O SER A 2 -5.932 -10.298 -17.672 1.00 0.00 O ATOM 12 CB SER A 2 -5.359 -7.469 -15.835 1.00 0.00 C ATOM 13 OG SER A 2 -6.690 -6.982 -15.690 1.00 0.00 O ATOM 0 H SER A 2 -3.545 -8.720 -14.640 1.00 0.00 H new ATOM 0 HA SER A 2 -6.250 -9.352 -15.365 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.729 -7.040 -15.056 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.954 -7.138 -16.791 1.00 0.00 H new ATOM 0 HG SER A 2 -6.688 -6.004 -15.744 1.00 0.00 H new ATOM 18 N SER A 3 -3.913 -9.280 -17.710 1.00 0.00 N ATOM 19 CA SER A 3 -3.565 -9.773 -19.031 1.00 0.00 C ATOM 20 C SER A 3 -2.136 -9.360 -19.385 1.00 0.00 C ATOM 21 O SER A 3 -1.289 -10.210 -19.657 1.00 0.00 O ATOM 22 CB SER A 3 -4.544 -9.256 -20.088 1.00 0.00 C ATOM 23 OG SER A 3 -4.084 -9.512 -21.412 1.00 0.00 O ATOM 0 H SER A 3 -3.202 -8.693 -17.273 1.00 0.00 H new ATOM 0 HA SER A 3 -3.629 -10.861 -19.017 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.516 -9.728 -19.944 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.688 -8.184 -19.955 1.00 0.00 H new ATOM 0 HG SER A 3 -4.737 -9.169 -22.057 1.00 0.00 H new ATOM 28 N GLY A 4 -1.909 -8.054 -19.368 1.00 0.00 N ATOM 29 CA GLY A 4 -0.597 -7.518 -19.684 1.00 0.00 C ATOM 30 C GLY A 4 0.312 -7.531 -18.452 1.00 0.00 C ATOM 31 O GLY A 4 -0.090 -7.091 -17.376 1.00 0.00 O ATOM 0 H GLY A 4 -2.613 -7.352 -19.140 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.143 -8.106 -20.482 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.697 -6.498 -20.056 1.00 0.00 H new ATOM 35 N SER A 5 1.518 -8.041 -18.651 1.00 0.00 N ATOM 36 CA SER A 5 2.486 -8.118 -17.570 1.00 0.00 C ATOM 37 C SER A 5 2.694 -6.732 -16.956 1.00 0.00 C ATOM 38 O SER A 5 2.650 -5.724 -17.660 1.00 0.00 O ATOM 39 CB SER A 5 3.818 -8.686 -18.064 1.00 0.00 C ATOM 40 OG SER A 5 4.349 -9.657 -17.166 1.00 0.00 O ATOM 0 H SER A 5 1.847 -8.405 -19.545 1.00 0.00 H new ATOM 0 HA SER A 5 2.096 -8.792 -16.807 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.678 -9.138 -19.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.535 -7.874 -18.186 1.00 0.00 H new ATOM 0 HG SER A 5 5.198 -9.997 -17.517 1.00 0.00 H new ATOM 45 N SER A 6 2.919 -6.727 -15.650 1.00 0.00 N ATOM 46 CA SER A 6 3.135 -5.481 -14.934 1.00 0.00 C ATOM 47 C SER A 6 4.633 -5.197 -14.817 1.00 0.00 C ATOM 48 O SER A 6 5.455 -6.097 -14.992 1.00 0.00 O ATOM 49 CB SER A 6 2.495 -5.527 -13.544 1.00 0.00 C ATOM 50 OG SER A 6 1.776 -4.333 -13.247 1.00 0.00 O ATOM 0 H SER A 6 2.956 -7.565 -15.070 1.00 0.00 H new ATOM 0 HA SER A 6 2.662 -4.677 -15.498 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.820 -6.381 -13.484 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.270 -5.680 -12.793 1.00 0.00 H new ATOM 0 HG SER A 6 1.381 -4.403 -12.353 1.00 0.00 H new ATOM 55 N GLY A 7 4.946 -3.943 -14.524 1.00 0.00 N ATOM 56 CA GLY A 7 6.331 -3.530 -14.384 1.00 0.00 C ATOM 57 C GLY A 7 6.424 -2.076 -13.913 1.00 0.00 C ATOM 58 O GLY A 7 6.667 -1.175 -14.714 1.00 0.00 O ATOM 0 H GLY A 7 4.263 -3.199 -14.380 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.838 -4.180 -13.671 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.846 -3.641 -15.338 1.00 0.00 H new ATOM 62 N LYS A 8 6.226 -1.895 -12.615 1.00 0.00 N ATOM 63 CA LYS A 8 6.285 -0.567 -12.029 1.00 0.00 C ATOM 64 C LYS A 8 7.094 -0.622 -10.731 1.00 0.00 C ATOM 65 O LYS A 8 8.221 -0.133 -10.676 1.00 0.00 O ATOM 66 CB LYS A 8 4.876 0.004 -11.851 1.00 0.00 C ATOM 67 CG LYS A 8 4.492 0.893 -13.035 1.00 0.00 C ATOM 68 CD LYS A 8 3.636 2.075 -12.577 1.00 0.00 C ATOM 69 CE LYS A 8 4.207 3.398 -13.094 1.00 0.00 C ATOM 70 NZ LYS A 8 3.955 4.486 -12.123 1.00 0.00 N ATOM 0 H LYS A 8 6.025 -2.645 -11.954 1.00 0.00 H new ATOM 0 HA LYS A 8 6.801 0.121 -12.698 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.159 -0.811 -11.756 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.827 0.581 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.393 1.260 -13.526 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.944 0.306 -13.772 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.615 1.950 -12.937 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.590 2.095 -11.488 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.279 3.296 -13.265 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.753 3.647 -14.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.349 5.376 -12.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.930 4.593 -11.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.409 4.254 -11.216 1.00 0.00 H new ATOM 79 N VAL A 9 6.486 -1.223 -9.718 1.00 0.00 N ATOM 80 CA VAL A 9 7.136 -1.349 -8.424 1.00 0.00 C ATOM 81 C VAL A 9 6.750 -2.689 -7.794 1.00 0.00 C ATOM 82 O VAL A 9 5.580 -2.923 -7.493 1.00 0.00 O ATOM 83 CB VAL A 9 6.783 -0.150 -7.543 1.00 0.00 C ATOM 84 CG1 VAL A 9 5.273 0.096 -7.529 1.00 0.00 C ATOM 85 CG2 VAL A 9 7.322 -0.336 -6.123 1.00 0.00 C ATOM 0 H VAL A 9 5.551 -1.628 -9.767 1.00 0.00 H new ATOM 0 HA VAL A 9 8.220 -1.343 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 9 7.261 0.732 -7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.050 0.954 -6.895 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.927 0.295 -8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.764 -0.785 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.057 0.530 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.886 -1.233 -5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.407 -0.438 -6.156 1.00 0.00 H new ATOM 95 N LYS A 10 7.755 -3.531 -7.610 1.00 0.00 N ATOM 96 CA LYS A 10 7.536 -4.841 -7.020 1.00 0.00 C ATOM 97 C LYS A 10 7.536 -4.715 -5.495 1.00 0.00 C ATOM 98 O LYS A 10 8.495 -4.212 -4.911 1.00 0.00 O ATOM 99 CB LYS A 10 8.557 -5.847 -7.555 1.00 0.00 C ATOM 100 CG LYS A 10 8.038 -7.280 -7.415 1.00 0.00 C ATOM 101 CD LYS A 10 7.835 -7.926 -8.787 1.00 0.00 C ATOM 102 CE LYS A 10 9.154 -8.473 -9.337 1.00 0.00 C ATOM 103 NZ LYS A 10 9.967 -7.381 -9.916 1.00 0.00 N ATOM 0 H LYS A 10 8.724 -3.332 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 10 6.559 -5.230 -7.308 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.769 -5.634 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.496 -5.742 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.744 -7.871 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.096 -7.277 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.107 -8.733 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.424 -7.193 -9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.711 -8.965 -8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.953 -9.227 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.660 -7.779 -10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.346 -6.716 -10.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.467 -6.879 -9.155 1.00 0.00 H new ATOM 112 N TRP A 11 6.451 -5.180 -4.894 1.00 0.00 N ATOM 113 CA TRP A 11 6.314 -5.127 -3.449 1.00 0.00 C ATOM 114 C TRP A 11 6.625 -6.517 -2.892 1.00 0.00 C ATOM 115 O TRP A 11 6.447 -7.520 -3.582 1.00 0.00 O ATOM 116 CB TRP A 11 4.928 -4.617 -3.047 1.00 0.00 C ATOM 117 CG TRP A 11 4.774 -3.098 -3.136 1.00 0.00 C ATOM 118 CD1 TRP A 11 4.896 -2.318 -4.219 1.00 0.00 C ATOM 119 CD2 TRP A 11 4.463 -2.201 -2.048 1.00 0.00 C ATOM 120 NE1 TRP A 11 4.687 -0.989 -3.911 1.00 0.00 N ATOM 121 CE2 TRP A 11 4.415 -0.916 -2.549 1.00 0.00 C ATOM 122 CE3 TRP A 11 4.229 -2.467 -0.688 1.00 0.00 C ATOM 123 CZ2 TRP A 11 4.135 0.205 -1.757 1.00 0.00 C ATOM 124 CZ3 TRP A 11 3.952 -1.337 0.090 1.00 0.00 C ATOM 125 CH2 TRP A 11 3.900 -0.036 -0.399 1.00 0.00 C ATOM 0 H TRP A 11 5.658 -5.596 -5.382 1.00 0.00 H new ATOM 0 HA TRP A 11 7.020 -4.416 -3.021 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.180 -5.086 -3.687 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.718 -4.934 -2.026 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.129 -2.683 -5.208 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.725 -0.205 -4.562 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.260 -3.465 -0.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.102 1.201 -2.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.766 -1.486 1.143 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.679 0.785 0.267 1.00 0.00 H new ATOM 135 N THR A 12 7.082 -6.534 -1.649 1.00 0.00 N ATOM 136 CA THR A 12 7.418 -7.786 -0.991 1.00 0.00 C ATOM 137 C THR A 12 6.305 -8.197 -0.026 1.00 0.00 C ATOM 138 O THR A 12 5.797 -7.370 0.730 1.00 0.00 O ATOM 139 CB THR A 12 8.779 -7.612 -0.313 1.00 0.00 C ATOM 140 OG1 THR A 12 8.598 -6.488 0.544 1.00 0.00 O ATOM 141 CG2 THR A 12 9.867 -7.166 -1.290 1.00 0.00 C ATOM 0 H THR A 12 7.228 -5.701 -1.079 1.00 0.00 H new ATOM 0 HA THR A 12 7.498 -8.602 -1.709 1.00 0.00 H new ATOM 0 HB THR A 12 9.075 -8.551 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.432 -6.305 1.025 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.812 -7.058 -0.758 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.977 -7.912 -2.077 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.588 -6.210 -1.733 1.00 0.00 H new ATOM 149 N HIS A 13 5.958 -9.474 -0.083 1.00 0.00 N ATOM 150 CA HIS A 13 4.915 -10.006 0.777 1.00 0.00 C ATOM 151 C HIS A 13 5.046 -9.401 2.177 1.00 0.00 C ATOM 152 O HIS A 13 4.049 -9.028 2.793 1.00 0.00 O ATOM 153 CB HIS A 13 4.944 -11.535 0.787 1.00 0.00 C ATOM 154 CG HIS A 13 4.905 -12.158 -0.588 1.00 0.00 C ATOM 155 ND1 HIS A 13 5.820 -13.109 -1.006 1.00 0.00 N ATOM 156 CD2 HIS A 13 4.052 -11.958 -1.633 1.00 0.00 C ATOM 157 CE1 HIS A 13 5.522 -13.457 -2.250 1.00 0.00 C ATOM 158 NE2 HIS A 13 4.426 -12.742 -2.637 1.00 0.00 N ATOM 0 H HIS A 13 6.381 -10.156 -0.712 1.00 0.00 H new ATOM 0 HA HIS A 13 3.938 -9.723 0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.846 -11.868 1.300 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.095 -11.901 1.365 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.214 -11.277 -1.642 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.053 -14.180 -2.852 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.970 -12.800 -3.547 1.00 0.00 H new ATOM 165 N GLU A 14 6.286 -9.324 2.639 1.00 0.00 N ATOM 166 CA GLU A 14 6.562 -8.771 3.954 1.00 0.00 C ATOM 167 C GLU A 14 5.910 -7.395 4.099 1.00 0.00 C ATOM 168 O GLU A 14 5.162 -7.154 5.046 1.00 0.00 O ATOM 169 CB GLU A 14 8.068 -8.695 4.213 1.00 0.00 C ATOM 170 CG GLU A 14 8.609 -10.040 4.702 1.00 0.00 C ATOM 171 CD GLU A 14 10.108 -10.162 4.423 1.00 0.00 C ATOM 172 OE1 GLU A 14 10.897 -9.331 4.899 1.00 0.00 O ATOM 173 OE2 GLU A 14 10.446 -11.163 3.683 1.00 0.00 O ATOM 0 H GLU A 14 7.111 -9.635 2.126 1.00 0.00 H new ATOM 0 HA GLU A 14 6.132 -9.436 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.584 -8.403 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.274 -7.924 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.425 -10.143 5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.076 -10.852 4.207 1.00 0.00 H new ATOM 179 N GLU A 15 6.217 -6.527 3.147 1.00 0.00 N ATOM 180 CA GLU A 15 5.671 -5.180 3.156 1.00 0.00 C ATOM 181 C GLU A 15 4.156 -5.220 2.948 1.00 0.00 C ATOM 182 O GLU A 15 3.402 -4.662 3.743 1.00 0.00 O ATOM 183 CB GLU A 15 6.347 -4.307 2.097 1.00 0.00 C ATOM 184 CG GLU A 15 7.793 -3.993 2.486 1.00 0.00 C ATOM 185 CD GLU A 15 7.869 -3.437 3.909 1.00 0.00 C ATOM 186 OE1 GLU A 15 7.794 -2.215 4.103 1.00 0.00 O ATOM 187 OE2 GLU A 15 8.010 -4.325 4.835 1.00 0.00 O ATOM 0 H GLU A 15 6.837 -6.730 2.363 1.00 0.00 H new ATOM 0 HA GLU A 15 5.873 -4.734 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.328 -4.817 1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.789 -3.378 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.398 -4.897 2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.213 -3.270 1.786 1.00 0.00 H new ATOM 193 N ASP A 16 3.755 -5.888 1.875 1.00 0.00 N ATOM 194 CA ASP A 16 2.343 -6.008 1.553 1.00 0.00 C ATOM 195 C ASP A 16 1.552 -6.262 2.838 1.00 0.00 C ATOM 196 O ASP A 16 0.586 -5.556 3.126 1.00 0.00 O ATOM 197 CB ASP A 16 2.094 -7.182 0.605 1.00 0.00 C ATOM 198 CG ASP A 16 3.130 -7.345 -0.509 1.00 0.00 C ATOM 199 OD1 ASP A 16 4.039 -6.515 -0.662 1.00 0.00 O ATOM 200 OD2 ASP A 16 2.975 -8.390 -1.250 1.00 0.00 O ATOM 0 H ASP A 16 4.383 -6.351 1.218 1.00 0.00 H new ATOM 0 HA ASP A 16 2.026 -5.082 1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.064 -8.101 1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.111 -7.060 0.151 1.00 0.00 H new ATOM 205 N GLU A 17 1.990 -7.271 3.576 1.00 0.00 N ATOM 206 CA GLU A 17 1.334 -7.626 4.823 1.00 0.00 C ATOM 207 C GLU A 17 1.292 -6.420 5.762 1.00 0.00 C ATOM 208 O GLU A 17 0.242 -6.099 6.320 1.00 0.00 O ATOM 209 CB GLU A 17 2.029 -8.816 5.488 1.00 0.00 C ATOM 210 CG GLU A 17 1.576 -10.136 4.861 1.00 0.00 C ATOM 211 CD GLU A 17 0.113 -10.432 5.201 1.00 0.00 C ATOM 212 OE1 GLU A 17 -0.294 -10.287 6.363 1.00 0.00 O ATOM 213 OE2 GLU A 17 -0.609 -10.824 4.207 1.00 0.00 O ATOM 0 H GLU A 17 2.791 -7.854 3.334 1.00 0.00 H new ATOM 0 HA GLU A 17 0.309 -7.924 4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.109 -8.713 5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.807 -8.821 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.699 -10.090 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.208 -10.949 5.219 1.00 0.00 H new ATOM 219 N GLN A 18 2.444 -5.785 5.910 1.00 0.00 N ATOM 220 CA GLN A 18 2.552 -4.620 6.772 1.00 0.00 C ATOM 221 C GLN A 18 1.484 -3.588 6.407 1.00 0.00 C ATOM 222 O GLN A 18 0.697 -3.176 7.259 1.00 0.00 O ATOM 223 CB GLN A 18 3.954 -4.009 6.697 1.00 0.00 C ATOM 224 CG GLN A 18 4.801 -4.432 7.898 1.00 0.00 C ATOM 225 CD GLN A 18 6.179 -4.924 7.450 1.00 0.00 C ATOM 226 OE1 GLN A 18 6.334 -5.574 6.430 1.00 0.00 O ATOM 227 NE2 GLN A 18 7.169 -4.577 8.269 1.00 0.00 N ATOM 0 H GLN A 18 3.312 -6.055 5.447 1.00 0.00 H new ATOM 0 HA GLN A 18 2.385 -4.938 7.801 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.442 -4.323 5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.880 -2.922 6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.916 -3.591 8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.290 -5.222 8.448 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.970 -4.031 9.107 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.127 -4.857 8.058 1.00 0.00 H new ATOM 234 N LEU A 19 1.489 -3.200 5.141 1.00 0.00 N ATOM 235 CA LEU A 19 0.531 -2.224 4.653 1.00 0.00 C ATOM 236 C LEU A 19 -0.888 -2.743 4.896 1.00 0.00 C ATOM 237 O LEU A 19 -1.743 -2.015 5.399 1.00 0.00 O ATOM 238 CB LEU A 19 0.816 -1.876 3.190 1.00 0.00 C ATOM 239 CG LEU A 19 -0.144 -0.879 2.538 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.087 0.478 3.243 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.129 -0.758 1.037 1.00 0.00 C ATOM 0 H LEU A 19 2.142 -3.544 4.437 1.00 0.00 H new ATOM 0 HA LEU A 19 0.628 -1.288 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.827 -1.473 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.801 -2.798 2.608 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.160 -1.258 2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.779 1.168 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.367 0.356 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.925 0.877 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.567 -0.043 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.151 -0.413 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.003 -1.731 0.564 1.00 0.00 H new ATOM 252 N ARG A 20 -1.095 -3.998 4.527 1.00 0.00 N ATOM 253 CA ARG A 20 -2.396 -4.624 4.698 1.00 0.00 C ATOM 254 C ARG A 20 -2.871 -4.474 6.145 1.00 0.00 C ATOM 255 O ARG A 20 -3.999 -4.052 6.390 1.00 0.00 O ATOM 256 CB ARG A 20 -2.344 -6.110 4.337 1.00 0.00 C ATOM 257 CG ARG A 20 -2.584 -6.320 2.841 1.00 0.00 C ATOM 258 CD ARG A 20 -3.375 -7.605 2.587 1.00 0.00 C ATOM 259 NE ARG A 20 -4.715 -7.279 2.051 1.00 0.00 N ATOM 260 CZ ARG A 20 -5.488 -8.148 1.365 1.00 0.00 C ATOM 261 NH1 ARG A 20 -5.059 -9.406 1.126 1.00 0.00 N ATOM 262 NH2 ARG A 20 -6.669 -7.749 0.931 1.00 0.00 N ATOM 0 H ARG A 20 -0.384 -4.599 4.110 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.095 -4.123 4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.373 -6.521 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.096 -6.653 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.128 -5.468 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.628 -6.368 2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.837 -8.239 1.882 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.473 -8.170 3.514 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.078 -6.339 2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.145 -9.706 1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.649 -10.056 0.607 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.985 -6.797 1.115 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.265 -8.393 0.411 1.00 0.00 H new ATOM 272 N ALA A 21 -1.985 -4.827 7.065 1.00 0.00 N ATOM 273 CA ALA A 21 -2.300 -4.737 8.480 1.00 0.00 C ATOM 274 C ALA A 21 -2.383 -3.264 8.886 1.00 0.00 C ATOM 275 O ALA A 21 -3.311 -2.861 9.585 1.00 0.00 O ATOM 276 CB ALA A 21 -1.250 -5.506 9.286 1.00 0.00 C ATOM 0 H ALA A 21 -1.049 -5.176 6.858 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.269 -5.192 8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.486 -5.439 10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.250 -6.552 8.980 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.265 -5.075 9.105 1.00 0.00 H new ATOM 282 N LEU A 22 -1.398 -2.502 8.432 1.00 0.00 N ATOM 283 CA LEU A 22 -1.349 -1.083 8.740 1.00 0.00 C ATOM 284 C LEU A 22 -2.686 -0.437 8.369 1.00 0.00 C ATOM 285 O LEU A 22 -3.140 0.488 9.040 1.00 0.00 O ATOM 286 CB LEU A 22 -0.143 -0.429 8.063 1.00 0.00 C ATOM 287 CG LEU A 22 1.217 -0.697 8.710 1.00 0.00 C ATOM 288 CD1 LEU A 22 2.358 -0.218 7.810 1.00 0.00 C ATOM 289 CD2 LEU A 22 1.291 -0.079 10.107 1.00 0.00 C ATOM 0 H LEU A 22 -0.629 -2.840 7.854 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.207 -0.931 9.810 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.104 -0.769 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.305 0.649 8.039 1.00 0.00 H new ATOM 0 HG LEU A 22 1.332 -1.775 8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.313 -0.421 8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.315 -0.745 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.259 0.854 7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.268 -0.284 10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.144 0.999 10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.513 -0.510 10.737 1.00 0.00 H new ATOM 300 N VAL A 23 -3.279 -0.951 7.302 1.00 0.00 N ATOM 301 CA VAL A 23 -4.556 -0.437 6.835 1.00 0.00 C ATOM 302 C VAL A 23 -5.617 -0.662 7.913 1.00 0.00 C ATOM 303 O VAL A 23 -6.163 0.296 8.461 1.00 0.00 O ATOM 304 CB VAL A 23 -4.920 -1.082 5.495 1.00 0.00 C ATOM 305 CG1 VAL A 23 -6.303 -0.626 5.026 1.00 0.00 C ATOM 306 CG2 VAL A 23 -3.856 -0.784 4.437 1.00 0.00 C ATOM 0 H VAL A 23 -2.899 -1.718 6.747 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.494 0.637 6.659 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.955 -2.162 5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.538 -1.098 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.051 -0.912 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.307 0.457 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.138 -1.253 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.775 0.294 4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.895 -1.180 4.766 1.00 0.00 H new ATOM 316 N ARG A 24 -5.878 -1.931 8.188 1.00 0.00 N ATOM 317 CA ARG A 24 -6.864 -2.293 9.191 1.00 0.00 C ATOM 318 C ARG A 24 -6.473 -1.715 10.553 1.00 0.00 C ATOM 319 O ARG A 24 -7.337 -1.372 11.358 1.00 0.00 O ATOM 320 CB ARG A 24 -6.998 -3.812 9.309 1.00 0.00 C ATOM 321 CG ARG A 24 -7.259 -4.448 7.943 1.00 0.00 C ATOM 322 CD ARG A 24 -7.606 -5.931 8.085 1.00 0.00 C ATOM 323 NE ARG A 24 -8.866 -6.085 8.846 1.00 0.00 N ATOM 324 CZ ARG A 24 -10.096 -5.987 8.302 1.00 0.00 C ATOM 325 NH1 ARG A 24 -10.244 -5.731 6.984 1.00 0.00 N ATOM 326 NH2 ARG A 24 -11.154 -6.143 9.077 1.00 0.00 N ATOM 0 H ARG A 24 -5.423 -2.722 7.733 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.822 -1.879 8.878 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.087 -4.228 9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.813 -4.057 9.990 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.076 -3.926 7.445 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.378 -4.336 7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.709 -6.385 7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.797 -6.455 8.594 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.800 -6.277 9.845 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.422 -5.610 6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.178 -5.658 6.580 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.034 -6.335 10.072 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.091 -6.072 8.681 1.00 0.00 H new ATOM 336 N GLN A 25 -5.168 -1.624 10.768 1.00 0.00 N ATOM 337 CA GLN A 25 -4.651 -1.094 12.018 1.00 0.00 C ATOM 338 C GLN A 25 -5.438 0.152 12.433 1.00 0.00 C ATOM 339 O GLN A 25 -6.132 0.143 13.448 1.00 0.00 O ATOM 340 CB GLN A 25 -3.157 -0.786 11.907 1.00 0.00 C ATOM 341 CG GLN A 25 -2.420 -1.177 13.190 1.00 0.00 C ATOM 342 CD GLN A 25 -2.400 -2.696 13.370 1.00 0.00 C ATOM 343 OE1 GLN A 25 -2.136 -3.453 12.450 1.00 0.00 O ATOM 344 NE2 GLN A 25 -2.693 -3.099 14.602 1.00 0.00 N ATOM 0 H GLN A 25 -4.454 -1.908 10.097 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.776 -1.853 12.790 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.733 -1.326 11.061 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.015 0.277 11.711 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.399 -0.798 13.157 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.905 -0.712 14.048 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.905 -2.413 15.326 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.706 -4.095 14.823 1.00 0.00 H new ATOM 351 N PHE A 26 -5.304 1.193 11.624 1.00 0.00 N ATOM 352 CA PHE A 26 -5.994 2.443 11.894 1.00 0.00 C ATOM 353 C PHE A 26 -7.024 2.747 10.804 1.00 0.00 C ATOM 354 O PHE A 26 -8.174 3.066 11.103 1.00 0.00 O ATOM 355 CB PHE A 26 -4.934 3.547 11.899 1.00 0.00 C ATOM 356 CG PHE A 26 -3.706 3.227 12.754 1.00 0.00 C ATOM 357 CD1 PHE A 26 -2.665 2.534 12.217 1.00 0.00 C ATOM 358 CD2 PHE A 26 -3.655 3.632 14.051 1.00 0.00 C ATOM 359 CE1 PHE A 26 -1.525 2.237 13.010 1.00 0.00 C ATOM 360 CE2 PHE A 26 -2.515 3.334 14.844 1.00 0.00 C ATOM 361 CZ PHE A 26 -1.475 2.643 14.307 1.00 0.00 C ATOM 0 H PHE A 26 -4.728 1.196 10.782 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.520 2.379 12.846 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.612 3.732 10.874 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.387 4.470 12.263 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.706 2.210 11.188 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.482 4.180 14.478 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.698 1.689 12.583 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.474 3.657 15.874 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.609 2.416 14.911 1.00 0.00 H new ATOM 370 N GLY A 27 -6.574 2.638 9.563 1.00 0.00 N ATOM 371 CA GLY A 27 -7.443 2.897 8.427 1.00 0.00 C ATOM 372 C GLY A 27 -6.643 3.430 7.236 1.00 0.00 C ATOM 373 O GLY A 27 -5.875 4.381 7.374 1.00 0.00 O ATOM 0 H GLY A 27 -5.620 2.374 9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.959 1.980 8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.209 3.620 8.708 1.00 0.00 H new ATOM 377 N GLN A 28 -6.850 2.794 6.093 1.00 0.00 N ATOM 378 CA GLN A 28 -6.158 3.191 4.878 1.00 0.00 C ATOM 379 C GLN A 28 -6.431 4.665 4.571 1.00 0.00 C ATOM 380 O GLN A 28 -5.626 5.325 3.914 1.00 0.00 O ATOM 381 CB GLN A 28 -6.563 2.302 3.700 1.00 0.00 C ATOM 382 CG GLN A 28 -8.064 2.007 3.725 1.00 0.00 C ATOM 383 CD GLN A 28 -8.694 2.258 2.354 1.00 0.00 C ATOM 384 OE1 GLN A 28 -8.313 3.155 1.621 1.00 0.00 O ATOM 385 NE2 GLN A 28 -9.679 1.416 2.050 1.00 0.00 N ATOM 0 H GLN A 28 -7.488 2.006 5.982 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.087 3.064 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.301 2.793 2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.004 1.367 3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.230 0.971 4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.549 2.634 4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.948 0.687 2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.164 1.500 1.157 1.00 0.00 H new ATOM 392 N GLN A 29 -7.567 5.139 5.061 1.00 0.00 N ATOM 393 CA GLN A 29 -7.956 6.523 4.846 1.00 0.00 C ATOM 394 C GLN A 29 -6.772 7.454 5.116 1.00 0.00 C ATOM 395 O GLN A 29 -6.578 8.439 4.405 1.00 0.00 O ATOM 396 CB GLN A 29 -9.157 6.896 5.716 1.00 0.00 C ATOM 397 CG GLN A 29 -10.471 6.539 5.020 1.00 0.00 C ATOM 398 CD GLN A 29 -10.818 5.064 5.227 1.00 0.00 C ATOM 399 OE1 GLN A 29 -11.135 4.621 6.319 1.00 0.00 O ATOM 400 NE2 GLN A 29 -10.742 4.329 4.120 1.00 0.00 N ATOM 0 H GLN A 29 -8.231 4.589 5.606 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.255 6.639 3.804 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.094 6.375 6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.135 7.964 5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.275 7.164 5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.391 6.751 3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.470 4.763 3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.956 3.332 4.154 1.00 0.00 H new ATOM 407 N ASP A 30 -6.011 7.109 6.144 1.00 0.00 N ATOM 408 CA ASP A 30 -4.852 7.901 6.517 1.00 0.00 C ATOM 409 C ASP A 30 -3.596 7.282 5.900 1.00 0.00 C ATOM 410 O ASP A 30 -2.842 6.590 6.582 1.00 0.00 O ATOM 411 CB ASP A 30 -4.669 7.929 8.036 1.00 0.00 C ATOM 412 CG ASP A 30 -5.928 8.274 8.834 1.00 0.00 C ATOM 413 OD1 ASP A 30 -6.258 9.454 9.027 1.00 0.00 O ATOM 414 OD2 ASP A 30 -6.592 7.258 9.270 1.00 0.00 O ATOM 0 H ASP A 30 -6.175 6.291 6.731 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.007 8.917 6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.307 6.954 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.893 8.654 8.280 1.00 0.00 H new ATOM 419 N TRP A 31 -3.412 7.552 4.616 1.00 0.00 N ATOM 420 CA TRP A 31 -2.260 7.030 3.901 1.00 0.00 C ATOM 421 C TRP A 31 -1.040 7.863 4.294 1.00 0.00 C ATOM 422 O TRP A 31 -0.014 7.317 4.697 1.00 0.00 O ATOM 423 CB TRP A 31 -2.514 7.017 2.391 1.00 0.00 C ATOM 424 CG TRP A 31 -3.555 5.990 1.944 1.00 0.00 C ATOM 425 CD1 TRP A 31 -4.846 6.197 1.651 1.00 0.00 C ATOM 426 CD2 TRP A 31 -3.340 4.575 1.749 1.00 0.00 C ATOM 427 NE1 TRP A 31 -5.475 5.026 1.282 1.00 0.00 N ATOM 428 CE2 TRP A 31 -4.531 4.009 1.344 1.00 0.00 C ATOM 429 CE3 TRP A 31 -2.178 3.802 1.910 1.00 0.00 C ATOM 430 CZ2 TRP A 31 -4.675 2.644 1.067 1.00 0.00 C ATOM 431 CZ3 TRP A 31 -2.337 2.439 1.628 1.00 0.00 C ATOM 432 CH2 TRP A 31 -3.530 1.853 1.220 1.00 0.00 C ATOM 0 H TRP A 31 -4.041 8.125 4.053 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.074 5.992 4.176 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -2.840 8.009 2.079 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.575 6.814 1.877 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.333 7.160 1.698 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.454 4.925 1.013 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.236 4.225 2.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.619 2.224 0.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.473 1.799 1.735 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.573 0.792 1.022 1.00 0.00 H new ATOM 442 N LYS A 32 -1.191 9.174 4.165 1.00 0.00 N ATOM 443 CA LYS A 32 -0.114 10.089 4.503 1.00 0.00 C ATOM 444 C LYS A 32 0.593 9.593 5.766 1.00 0.00 C ATOM 445 O LYS A 32 1.809 9.728 5.894 1.00 0.00 O ATOM 446 CB LYS A 32 -0.642 11.520 4.616 1.00 0.00 C ATOM 447 CG LYS A 32 -0.491 12.266 3.289 1.00 0.00 C ATOM 448 CD LYS A 32 0.638 13.294 3.363 1.00 0.00 C ATOM 449 CE LYS A 32 0.624 14.215 2.141 1.00 0.00 C ATOM 450 NZ LYS A 32 0.329 15.608 2.544 1.00 0.00 N ATOM 0 H LYS A 32 -2.043 9.624 3.831 1.00 0.00 H new ATOM 0 HA LYS A 32 0.631 10.111 3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.691 11.502 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.101 12.051 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.288 11.554 2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.427 12.766 3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.535 13.888 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.598 12.781 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.589 14.173 1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.125 13.871 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.323 16.219 1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.602 15.646 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.058 15.939 3.208 1.00 0.00 H new ATOM 459 N PHE A 33 -0.199 9.029 6.666 1.00 0.00 N ATOM 460 CA PHE A 33 0.337 8.512 7.915 1.00 0.00 C ATOM 461 C PHE A 33 0.930 7.115 7.721 1.00 0.00 C ATOM 462 O PHE A 33 2.075 6.866 8.093 1.00 0.00 O ATOM 463 CB PHE A 33 -0.831 8.424 8.899 1.00 0.00 C ATOM 464 CG PHE A 33 -0.601 7.444 10.051 1.00 0.00 C ATOM 465 CD1 PHE A 33 0.565 7.480 10.752 1.00 0.00 C ATOM 466 CD2 PHE A 33 -1.563 6.539 10.376 1.00 0.00 C ATOM 467 CE1 PHE A 33 0.778 6.570 11.820 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.349 5.630 11.446 1.00 0.00 C ATOM 469 CZ PHE A 33 -0.183 5.664 12.146 1.00 0.00 C ATOM 0 H PHE A 33 -1.207 8.918 6.556 1.00 0.00 H new ATOM 0 HA PHE A 33 1.129 9.166 8.279 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.021 9.415 9.311 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.728 8.127 8.356 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.328 8.201 10.496 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.489 6.512 9.821 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.704 6.597 12.375 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.113 4.911 11.704 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.020 4.973 12.960 1.00 0.00 H new ATOM 478 N LEU A 34 0.124 6.240 7.136 1.00 0.00 N ATOM 479 CA LEU A 34 0.555 4.875 6.888 1.00 0.00 C ATOM 480 C LEU A 34 1.919 4.893 6.196 1.00 0.00 C ATOM 481 O LEU A 34 2.814 4.131 6.559 1.00 0.00 O ATOM 482 CB LEU A 34 -0.518 4.108 6.113 1.00 0.00 C ATOM 483 CG LEU A 34 -1.786 3.754 6.893 1.00 0.00 C ATOM 484 CD1 LEU A 34 -2.887 3.258 5.954 1.00 0.00 C ATOM 485 CD2 LEU A 34 -1.484 2.748 8.005 1.00 0.00 C ATOM 0 H LEU A 34 -0.825 6.450 6.827 1.00 0.00 H new ATOM 0 HA LEU A 34 0.682 4.338 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.804 4.701 5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.077 3.185 5.738 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.156 4.661 7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.777 3.013 6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.128 4.038 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.542 2.369 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.402 2.514 8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.076 1.836 7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.758 3.176 8.696 1.00 0.00 H new ATOM 496 N ALA A 35 2.036 5.773 5.212 1.00 0.00 N ATOM 497 CA ALA A 35 3.276 5.901 4.466 1.00 0.00 C ATOM 498 C ALA A 35 4.431 6.139 5.441 1.00 0.00 C ATOM 499 O ALA A 35 5.577 5.805 5.145 1.00 0.00 O ATOM 500 CB ALA A 35 3.140 7.026 3.437 1.00 0.00 C ATOM 0 H ALA A 35 1.292 6.404 4.914 1.00 0.00 H new ATOM 0 HA ALA A 35 3.491 4.983 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.071 7.122 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.326 6.794 2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.927 7.964 3.950 1.00 0.00 H new ATOM 506 N SER A 36 4.089 6.716 6.584 1.00 0.00 N ATOM 507 CA SER A 36 5.083 7.003 7.604 1.00 0.00 C ATOM 508 C SER A 36 5.819 5.720 7.992 1.00 0.00 C ATOM 509 O SER A 36 7.035 5.730 8.178 1.00 0.00 O ATOM 510 CB SER A 36 4.438 7.639 8.837 1.00 0.00 C ATOM 511 OG SER A 36 3.590 8.733 8.493 1.00 0.00 O ATOM 0 H SER A 36 3.137 6.992 6.826 1.00 0.00 H new ATOM 0 HA SER A 36 5.799 7.715 7.194 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.859 6.886 9.372 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.217 7.984 9.516 1.00 0.00 H new ATOM 0 HG SER A 36 2.910 8.432 7.854 1.00 0.00 H new ATOM 516 N HIS A 37 5.052 4.646 8.106 1.00 0.00 N ATOM 517 CA HIS A 37 5.616 3.357 8.469 1.00 0.00 C ATOM 518 C HIS A 37 6.686 2.960 7.451 1.00 0.00 C ATOM 519 O HIS A 37 7.702 2.368 7.811 1.00 0.00 O ATOM 520 CB HIS A 37 4.516 2.304 8.614 1.00 0.00 C ATOM 521 CG HIS A 37 4.344 1.785 10.023 1.00 0.00 C ATOM 522 ND1 HIS A 37 4.982 0.648 10.486 1.00 0.00 N ATOM 523 CD2 HIS A 37 3.601 2.262 11.063 1.00 0.00 C ATOM 524 CE1 HIS A 37 4.632 0.457 11.749 1.00 0.00 C ATOM 525 NE2 HIS A 37 3.775 1.458 12.105 1.00 0.00 N ATOM 0 H HIS A 37 4.044 4.642 7.953 1.00 0.00 H new ATOM 0 HA HIS A 37 6.100 3.429 9.443 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.571 2.731 8.277 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.740 1.466 7.954 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.977 3.144 11.042 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.966 -0.349 12.385 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.340 1.570 13.021 1.00 0.00 H new ATOM 532 N PHE A 38 6.421 3.301 6.197 1.00 0.00 N ATOM 533 CA PHE A 38 7.349 2.987 5.124 1.00 0.00 C ATOM 534 C PHE A 38 8.120 4.234 4.684 1.00 0.00 C ATOM 535 O PHE A 38 7.568 5.104 4.011 1.00 0.00 O ATOM 536 CB PHE A 38 6.514 2.476 3.948 1.00 0.00 C ATOM 537 CG PHE A 38 5.614 1.289 4.293 1.00 0.00 C ATOM 538 CD1 PHE A 38 6.153 0.050 4.447 1.00 0.00 C ATOM 539 CD2 PHE A 38 4.276 1.472 4.445 1.00 0.00 C ATOM 540 CE1 PHE A 38 5.316 -1.053 4.767 1.00 0.00 C ATOM 541 CE2 PHE A 38 3.439 0.370 4.766 1.00 0.00 C ATOM 542 CZ PHE A 38 3.978 -0.870 4.920 1.00 0.00 C ATOM 0 H PHE A 38 5.577 3.791 5.901 1.00 0.00 H new ATOM 0 HA PHE A 38 8.073 2.246 5.462 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.895 3.291 3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.184 2.187 3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.216 -0.096 4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.849 2.456 4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.743 -2.037 4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.376 0.516 4.888 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.343 -1.709 5.164 1.00 0.00 H new ATOM 551 N PRO A 39 9.416 4.282 5.093 1.00 0.00 N ATOM 552 CA PRO A 39 10.268 5.407 4.747 1.00 0.00 C ATOM 553 C PRO A 39 10.696 5.341 3.280 1.00 0.00 C ATOM 554 O PRO A 39 11.078 6.354 2.695 1.00 0.00 O ATOM 555 CB PRO A 39 11.440 5.324 5.712 1.00 0.00 C ATOM 556 CG PRO A 39 11.438 3.902 6.248 1.00 0.00 C ATOM 557 CD PRO A 39 10.102 3.269 5.890 1.00 0.00 C ATOM 0 HA PRO A 39 9.758 6.365 4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.379 5.550 5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.332 6.047 6.521 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.259 3.330 5.816 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.583 3.901 7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.239 2.347 5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.532 3.014 6.783 1.00 0.00 H new ATOM 562 N ASN A 40 10.618 4.140 2.727 1.00 0.00 N ATOM 563 CA ASN A 40 10.992 3.928 1.340 1.00 0.00 C ATOM 564 C ASN A 40 9.775 4.170 0.445 1.00 0.00 C ATOM 565 O ASN A 40 9.913 4.643 -0.682 1.00 0.00 O ATOM 566 CB ASN A 40 11.470 2.493 1.111 1.00 0.00 C ATOM 567 CG ASN A 40 12.961 2.459 0.768 1.00 0.00 C ATOM 568 OD1 ASN A 40 13.693 3.412 0.975 1.00 0.00 O ATOM 569 ND2 ASN A 40 13.367 1.311 0.235 1.00 0.00 N ATOM 0 H ASN A 40 10.301 3.303 3.215 1.00 0.00 H new ATOM 0 HA ASN A 40 11.800 4.619 1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.285 1.898 2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.897 2.040 0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.345 1.188 -0.028 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.701 0.553 0.089 1.00 0.00 H new ATOM 575 N ARG A 41 8.611 3.835 0.980 1.00 0.00 N ATOM 576 CA ARG A 41 7.370 4.011 0.244 1.00 0.00 C ATOM 577 C ARG A 41 6.688 5.316 0.657 1.00 0.00 C ATOM 578 O ARG A 41 7.089 5.950 1.632 1.00 0.00 O ATOM 579 CB ARG A 41 6.413 2.842 0.493 1.00 0.00 C ATOM 580 CG ARG A 41 7.043 1.516 0.062 1.00 0.00 C ATOM 581 CD ARG A 41 7.178 1.442 -1.461 1.00 0.00 C ATOM 582 NE ARG A 41 8.181 0.419 -1.830 1.00 0.00 N ATOM 583 CZ ARG A 41 9.498 0.672 -1.985 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.983 1.918 -1.802 1.00 0.00 N ATOM 585 NH2 ARG A 41 10.305 -0.318 -2.318 1.00 0.00 N ATOM 0 H ARG A 41 8.500 3.442 1.915 1.00 0.00 H new ATOM 0 HA ARG A 41 7.616 4.046 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.154 2.799 1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.485 3.003 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.025 1.409 0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.432 0.686 0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.215 1.197 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.475 2.414 -1.856 1.00 0.00 H new ATOM 0 HE ARG A 41 7.857 -0.537 -1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.353 2.678 -1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.980 2.100 -1.921 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.931 -1.257 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.303 -0.144 -2.439 1.00 0.00 H new ATOM 595 N THR A 42 5.668 5.681 -0.106 1.00 0.00 N ATOM 596 CA THR A 42 4.926 6.900 0.168 1.00 0.00 C ATOM 597 C THR A 42 3.421 6.624 0.150 1.00 0.00 C ATOM 598 O THR A 42 2.994 5.519 -0.182 1.00 0.00 O ATOM 599 CB THR A 42 5.363 7.957 -0.848 1.00 0.00 C ATOM 600 OG1 THR A 42 4.899 9.185 -0.293 1.00 0.00 O ATOM 601 CG2 THR A 42 4.609 7.841 -2.175 1.00 0.00 C ATOM 0 H THR A 42 5.338 5.154 -0.914 1.00 0.00 H new ATOM 0 HA THR A 42 5.142 7.279 1.167 1.00 0.00 H new ATOM 0 HB THR A 42 6.434 7.865 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.141 9.925 -0.888 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.957 8.614 -2.860 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.791 6.859 -2.613 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.541 7.967 -1.999 1.00 0.00 H new ATOM 609 N ASP A 43 2.660 7.646 0.511 1.00 0.00 N ATOM 610 CA ASP A 43 1.213 7.528 0.540 1.00 0.00 C ATOM 611 C ASP A 43 0.711 7.105 -0.842 1.00 0.00 C ATOM 612 O ASP A 43 -0.049 6.146 -0.963 1.00 0.00 O ATOM 613 CB ASP A 43 0.557 8.865 0.891 1.00 0.00 C ATOM 614 CG ASP A 43 1.232 10.095 0.282 1.00 0.00 C ATOM 615 OD1 ASP A 43 0.715 10.702 -0.669 1.00 0.00 O ATOM 616 OD2 ASP A 43 2.351 10.432 0.829 1.00 0.00 O ATOM 0 H ASP A 43 3.019 8.560 0.786 1.00 0.00 H new ATOM 0 HA ASP A 43 0.952 6.788 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.482 8.840 0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.547 8.974 1.975 1.00 0.00 H new ATOM 621 N GLN A 44 1.158 7.840 -1.849 1.00 0.00 N ATOM 622 CA GLN A 44 0.765 7.554 -3.218 1.00 0.00 C ATOM 623 C GLN A 44 1.069 6.094 -3.563 1.00 0.00 C ATOM 624 O GLN A 44 0.159 5.321 -3.859 1.00 0.00 O ATOM 625 CB GLN A 44 1.457 8.504 -4.198 1.00 0.00 C ATOM 626 CG GLN A 44 0.460 9.062 -5.217 1.00 0.00 C ATOM 627 CD GLN A 44 0.305 8.114 -6.407 1.00 0.00 C ATOM 628 OE1 GLN A 44 1.268 7.634 -6.981 1.00 0.00 O ATOM 629 NE2 GLN A 44 -0.958 7.873 -6.746 1.00 0.00 N ATOM 0 H GLN A 44 1.789 8.634 -1.744 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.310 7.713 -3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.920 9.325 -3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.257 7.977 -4.718 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.508 9.213 -4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.799 10.037 -5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.718 8.308 -6.223 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.167 7.253 -7.529 1.00 0.00 H new ATOM 636 N GLN A 45 2.350 5.762 -3.513 1.00 0.00 N ATOM 637 CA GLN A 45 2.784 4.409 -3.816 1.00 0.00 C ATOM 638 C GLN A 45 2.022 3.401 -2.955 1.00 0.00 C ATOM 639 O GLN A 45 1.643 2.333 -3.433 1.00 0.00 O ATOM 640 CB GLN A 45 4.295 4.263 -3.623 1.00 0.00 C ATOM 641 CG GLN A 45 5.062 4.952 -4.754 1.00 0.00 C ATOM 642 CD GLN A 45 4.639 4.404 -6.118 1.00 0.00 C ATOM 643 OE1 GLN A 45 4.159 3.289 -6.245 1.00 0.00 O ATOM 644 NE2 GLN A 45 4.842 5.246 -7.127 1.00 0.00 N ATOM 0 H GLN A 45 3.102 6.406 -3.267 1.00 0.00 H new ATOM 0 HA GLN A 45 2.562 4.203 -4.863 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.586 4.695 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.560 3.206 -3.590 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.882 6.026 -4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.133 4.804 -4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.248 6.165 -6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.592 4.973 -8.077 1.00 0.00 H new ATOM 651 N CYS A 46 1.819 3.776 -1.700 1.00 0.00 N ATOM 652 CA CYS A 46 1.108 2.917 -0.768 1.00 0.00 C ATOM 653 C CYS A 46 -0.327 2.748 -1.270 1.00 0.00 C ATOM 654 O CYS A 46 -0.771 1.630 -1.526 1.00 0.00 O ATOM 655 CB CYS A 46 1.152 3.471 0.657 1.00 0.00 C ATOM 656 SG CYS A 46 2.616 2.815 1.538 1.00 0.00 S ATOM 0 H CYS A 46 2.134 4.663 -1.307 1.00 0.00 H new ATOM 0 HA CYS A 46 1.594 1.942 -0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.190 4.560 0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.242 3.196 1.191 1.00 0.00 H new ATOM 0 HG CYS A 46 2.645 3.293 2.747 1.00 0.00 H new ATOM 661 N GLN A 47 -1.013 3.875 -1.396 1.00 0.00 N ATOM 662 CA GLN A 47 -2.389 3.866 -1.863 1.00 0.00 C ATOM 663 C GLN A 47 -2.483 3.174 -3.224 1.00 0.00 C ATOM 664 O GLN A 47 -3.406 2.399 -3.468 1.00 0.00 O ATOM 665 CB GLN A 47 -2.956 5.286 -1.929 1.00 0.00 C ATOM 666 CG GLN A 47 -4.462 5.264 -2.195 1.00 0.00 C ATOM 667 CD GLN A 47 -5.204 6.183 -1.223 1.00 0.00 C ATOM 668 OE1 GLN A 47 -4.664 7.147 -0.704 1.00 0.00 O ATOM 669 NE2 GLN A 47 -6.469 5.834 -1.007 1.00 0.00 N ATOM 0 H GLN A 47 -0.641 4.801 -1.183 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.990 3.303 -1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.756 5.805 -0.991 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.452 5.846 -2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.658 5.578 -3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.837 4.245 -2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.859 5.015 -1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.049 6.385 -0.375 1.00 0.00 H new ATOM 676 N TYR A 48 -1.514 3.479 -4.075 1.00 0.00 N ATOM 677 CA TYR A 48 -1.477 2.897 -5.406 1.00 0.00 C ATOM 678 C TYR A 48 -1.391 1.370 -5.334 1.00 0.00 C ATOM 679 O TYR A 48 -2.318 0.674 -5.744 1.00 0.00 O ATOM 680 CB TYR A 48 -0.205 3.436 -6.066 1.00 0.00 C ATOM 681 CG TYR A 48 0.041 2.893 -7.475 1.00 0.00 C ATOM 682 CD1 TYR A 48 0.617 1.650 -7.645 1.00 0.00 C ATOM 683 CD2 TYR A 48 -0.310 3.646 -8.576 1.00 0.00 C ATOM 684 CE1 TYR A 48 0.851 1.139 -8.971 1.00 0.00 C ATOM 685 CE2 TYR A 48 -0.078 3.136 -9.903 1.00 0.00 C ATOM 686 CZ TYR A 48 0.491 1.907 -10.034 1.00 0.00 C ATOM 687 OH TYR A 48 0.711 1.425 -11.287 1.00 0.00 O ATOM 0 H TYR A 48 -0.749 4.121 -3.869 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.379 3.153 -5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.264 4.523 -6.112 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.651 3.189 -5.438 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.892 1.060 -6.783 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.759 4.619 -8.443 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.302 0.169 -9.118 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.349 3.715 -10.773 1.00 0.00 H new ATOM 0 HH TYR A 48 0.404 2.080 -11.948 1.00 0.00 H new ATOM 696 N ARG A 49 -0.271 0.896 -4.809 1.00 0.00 N ATOM 697 CA ARG A 49 -0.053 -0.534 -4.678 1.00 0.00 C ATOM 698 C ARG A 49 -1.266 -1.198 -4.025 1.00 0.00 C ATOM 699 O ARG A 49 -1.526 -2.380 -4.247 1.00 0.00 O ATOM 700 CB ARG A 49 1.193 -0.826 -3.840 1.00 0.00 C ATOM 701 CG ARG A 49 1.335 -2.326 -3.574 1.00 0.00 C ATOM 702 CD ARG A 49 1.794 -3.066 -4.832 1.00 0.00 C ATOM 703 NE ARG A 49 1.842 -4.522 -4.575 1.00 0.00 N ATOM 704 CZ ARG A 49 2.493 -5.408 -5.358 1.00 0.00 C ATOM 705 NH1 ARG A 49 3.157 -4.993 -6.458 1.00 0.00 N ATOM 706 NH2 ARG A 49 2.470 -6.688 -5.033 1.00 0.00 N ATOM 0 H ARG A 49 0.495 1.477 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 49 0.093 -0.941 -5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.079 -0.459 -4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.133 -0.289 -2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.052 -2.490 -2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.381 -2.731 -3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.112 -2.856 -5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.779 -2.709 -5.134 1.00 0.00 H new ATOM 0 HE ARG A 49 1.352 -4.879 -3.754 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.169 -4.003 -6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.646 -5.670 -7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.965 -6.994 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.957 -7.371 -5.614 1.00 0.00 H new ATOM 716 N TRP A 50 -1.978 -0.410 -3.234 1.00 0.00 N ATOM 717 CA TRP A 50 -3.158 -0.907 -2.546 1.00 0.00 C ATOM 718 C TRP A 50 -4.322 -0.894 -3.538 1.00 0.00 C ATOM 719 O TRP A 50 -4.884 -1.941 -3.856 1.00 0.00 O ATOM 720 CB TRP A 50 -3.439 -0.094 -1.282 1.00 0.00 C ATOM 721 CG TRP A 50 -4.843 -0.300 -0.709 1.00 0.00 C ATOM 722 CD1 TRP A 50 -5.998 0.219 -1.150 1.00 0.00 C ATOM 723 CD2 TRP A 50 -5.196 -1.105 0.435 1.00 0.00 C ATOM 724 NE1 TRP A 50 -7.064 -0.193 -0.377 1.00 0.00 N ATOM 725 CE2 TRP A 50 -6.561 -1.023 0.617 1.00 0.00 C ATOM 726 CE3 TRP A 50 -4.387 -1.878 1.287 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.238 -1.691 1.645 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.079 -2.539 2.309 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.453 -2.466 2.507 1.00 0.00 C ATOM 0 H TRP A 50 -1.761 0.570 -3.054 1.00 0.00 H new ATOM 0 HA TRP A 50 -3.004 -1.930 -2.204 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.705 -0.359 -0.521 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.300 0.964 -1.504 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.083 0.876 -2.003 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.042 0.065 -0.511 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.317 -1.956 1.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.308 -1.612 1.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.505 -3.148 2.991 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.913 -3.005 3.322 1.00 0.00 H new ATOM 739 N LEU A 51 -4.652 0.304 -4.000 1.00 0.00 N ATOM 740 CA LEU A 51 -5.739 0.468 -4.949 1.00 0.00 C ATOM 741 C LEU A 51 -5.406 -0.290 -6.236 1.00 0.00 C ATOM 742 O LEU A 51 -6.250 -0.417 -7.121 1.00 0.00 O ATOM 743 CB LEU A 51 -6.039 1.952 -5.170 1.00 0.00 C ATOM 744 CG LEU A 51 -6.851 2.642 -4.072 1.00 0.00 C ATOM 745 CD1 LEU A 51 -7.072 4.119 -4.400 1.00 0.00 C ATOM 746 CD2 LEU A 51 -8.170 1.907 -3.819 1.00 0.00 C ATOM 0 H LEU A 51 -4.185 1.171 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.658 0.036 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.093 2.481 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.576 2.057 -6.113 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.277 2.600 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.652 4.586 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.108 4.620 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.614 4.205 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.727 2.419 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.761 1.895 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.962 0.883 -3.508 1.00 0.00 H new ATOM 757 N ARG A 52 -4.174 -0.775 -6.297 1.00 0.00 N ATOM 758 CA ARG A 52 -3.719 -1.517 -7.461 1.00 0.00 C ATOM 759 C ARG A 52 -3.694 -3.017 -7.157 1.00 0.00 C ATOM 760 O ARG A 52 -4.181 -3.822 -7.948 1.00 0.00 O ATOM 761 CB ARG A 52 -2.321 -1.067 -7.889 1.00 0.00 C ATOM 762 CG ARG A 52 -2.376 0.290 -8.596 1.00 0.00 C ATOM 763 CD ARG A 52 -3.438 0.291 -9.697 1.00 0.00 C ATOM 764 NE ARG A 52 -3.122 1.329 -10.705 1.00 0.00 N ATOM 765 CZ ARG A 52 -4.031 1.875 -11.539 1.00 0.00 C ATOM 766 NH1 ARG A 52 -5.323 1.486 -11.495 1.00 0.00 N ATOM 767 NH2 ARG A 52 -3.638 2.796 -12.400 1.00 0.00 N ATOM 0 H ARG A 52 -3.477 -0.669 -5.560 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.417 -1.319 -8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.673 -1.000 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.883 -1.811 -8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.598 1.073 -7.871 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.401 0.520 -9.026 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.481 -0.689 -10.173 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.421 0.479 -9.265 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.157 1.651 -10.773 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.619 0.774 -10.827 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.003 1.904 -12.129 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.660 3.084 -12.427 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.312 3.219 -13.038 1.00 0.00 H new ATOM 777 N VAL A 53 -3.120 -3.345 -6.008 1.00 0.00 N ATOM 778 CA VAL A 53 -3.025 -4.734 -5.591 1.00 0.00 C ATOM 779 C VAL A 53 -3.974 -4.975 -4.415 1.00 0.00 C ATOM 780 O VAL A 53 -4.899 -5.778 -4.514 1.00 0.00 O ATOM 781 CB VAL A 53 -1.571 -5.084 -5.267 1.00 0.00 C ATOM 782 CG1 VAL A 53 -1.440 -6.550 -4.850 1.00 0.00 C ATOM 783 CG2 VAL A 53 -0.655 -4.767 -6.451 1.00 0.00 C ATOM 0 H VAL A 53 -2.717 -2.674 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.333 -5.398 -6.399 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.257 -4.467 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.397 -6.773 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.049 -6.732 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.781 -7.191 -5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.373 -5.025 -6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.969 -5.346 -7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.715 -3.704 -6.683 1.00 0.00 H new ATOM 793 N LEU A 54 -3.711 -4.264 -3.329 1.00 0.00 N ATOM 794 CA LEU A 54 -4.529 -4.390 -2.135 1.00 0.00 C ATOM 795 C LEU A 54 -5.861 -3.671 -2.357 1.00 0.00 C ATOM 796 O LEU A 54 -6.134 -2.650 -1.727 1.00 0.00 O ATOM 797 CB LEU A 54 -3.764 -3.898 -0.905 1.00 0.00 C ATOM 798 CG LEU A 54 -2.256 -4.163 -0.903 1.00 0.00 C ATOM 799 CD1 LEU A 54 -1.616 -3.673 0.397 1.00 0.00 C ATOM 800 CD2 LEU A 54 -1.959 -5.641 -1.167 1.00 0.00 C ATOM 0 H LEU A 54 -2.942 -3.598 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.759 -5.438 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.924 -2.824 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.197 -4.367 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.807 -3.594 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.545 -3.873 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.783 -2.601 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.064 -4.195 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.881 -5.802 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.422 -6.250 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.362 -5.925 -2.139 1.00 0.00 H new ATOM 811 N SER A 55 -6.657 -4.232 -3.256 1.00 0.00 N ATOM 812 CA SER A 55 -7.954 -3.659 -3.569 1.00 0.00 C ATOM 813 C SER A 55 -8.952 -4.770 -3.904 1.00 0.00 C ATOM 814 O SER A 55 -8.672 -5.629 -4.738 1.00 0.00 O ATOM 815 CB SER A 55 -7.852 -2.668 -4.732 1.00 0.00 C ATOM 816 OG SER A 55 -8.958 -1.770 -4.766 1.00 0.00 O ATOM 0 H SER A 55 -6.428 -5.078 -3.778 1.00 0.00 H new ATOM 0 HA SER A 55 -8.307 -3.115 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.926 -2.100 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.801 -3.217 -5.673 1.00 0.00 H new ATOM 0 HG SER A 55 -8.855 -1.153 -5.520 1.00 0.00 H new ATOM 821 N GLY A 56 -10.095 -4.717 -3.237 1.00 0.00 N ATOM 822 CA GLY A 56 -11.135 -5.707 -3.454 1.00 0.00 C ATOM 823 C GLY A 56 -10.707 -7.077 -2.921 1.00 0.00 C ATOM 824 O GLY A 56 -9.517 -7.388 -2.884 1.00 0.00 O ATOM 0 H GLY A 56 -10.324 -4.003 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.053 -5.390 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.356 -5.780 -4.519 1.00 0.00 H new ATOM 828 N PRO A 57 -11.726 -7.879 -2.512 1.00 0.00 N ATOM 829 CA PRO A 57 -11.467 -9.207 -1.984 1.00 0.00 C ATOM 830 C PRO A 57 -11.104 -10.183 -3.106 1.00 0.00 C ATOM 831 O PRO A 57 -11.796 -10.253 -4.120 1.00 0.00 O ATOM 832 CB PRO A 57 -12.741 -9.594 -1.251 1.00 0.00 C ATOM 833 CG PRO A 57 -13.826 -8.673 -1.784 1.00 0.00 C ATOM 834 CD PRO A 57 -13.147 -7.544 -2.542 1.00 0.00 C ATOM 0 HA PRO A 57 -10.611 -9.231 -1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.993 -10.639 -1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.623 -9.476 -0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.503 -9.220 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.426 -8.276 -0.965 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.516 -7.476 -3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.337 -6.580 -2.070 1.00 0.00 H new ATOM 839 N SER A 58 -10.020 -10.911 -2.885 1.00 0.00 N ATOM 840 CA SER A 58 -9.556 -11.879 -3.865 1.00 0.00 C ATOM 841 C SER A 58 -8.519 -12.808 -3.232 1.00 0.00 C ATOM 842 O SER A 58 -8.762 -14.004 -3.078 1.00 0.00 O ATOM 843 CB SER A 58 -8.966 -11.182 -5.091 1.00 0.00 C ATOM 844 OG SER A 58 -7.913 -10.285 -4.742 1.00 0.00 O ATOM 0 H SER A 58 -9.449 -10.850 -2.042 1.00 0.00 H new ATOM 0 HA SER A 58 -10.411 -12.470 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.588 -11.931 -5.787 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.752 -10.633 -5.609 1.00 0.00 H new ATOM 0 HG SER A 58 -7.562 -9.861 -5.553 1.00 0.00 H new ATOM 849 N SER A 59 -7.382 -12.223 -2.881 1.00 0.00 N ATOM 850 CA SER A 59 -6.307 -12.983 -2.268 1.00 0.00 C ATOM 851 C SER A 59 -5.208 -12.037 -1.781 1.00 0.00 C ATOM 852 O SER A 59 -4.882 -12.016 -0.595 1.00 0.00 O ATOM 853 CB SER A 59 -5.729 -14.008 -3.247 1.00 0.00 C ATOM 854 OG SER A 59 -5.766 -15.331 -2.719 1.00 0.00 O ATOM 0 H SER A 59 -7.183 -11.231 -3.010 1.00 0.00 H new ATOM 0 HA SER A 59 -6.715 -13.525 -1.415 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.291 -13.974 -4.180 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.699 -13.741 -3.485 1.00 0.00 H new ATOM 0 HG SER A 59 -5.390 -15.955 -3.374 1.00 0.00 H new ATOM 859 N GLY A 60 -4.667 -11.276 -2.721 1.00 0.00 N ATOM 860 CA GLY A 60 -3.612 -10.329 -2.402 1.00 0.00 C ATOM 861 C GLY A 60 -2.798 -9.975 -3.648 1.00 0.00 C ATOM 862 O GLY A 60 -3.295 -10.078 -4.769 1.00 0.00 O ATOM 0 H GLY A 60 -4.939 -11.296 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.047 -9.424 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.955 -10.753 -1.642 1.00 0.00 H new TER 866 GLY A 60