USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 THR OG1 : rot 180:sc= 0.0379 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= 1.04 K(o=2.3,f=-2.4) USER MOD Set 2.2: A 90 THR OG1 : rot -69:sc= 1.21 USER MOD Set 3.1: A 32 LYS NZ :NH3+ 148:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 35 ASN : amide:sc= 2.98 K(o=4.2,f=-9!) USER MOD Set 4.1: A 27 ASN : amide:sc= -0.022 K(o=-0.022,f=-1) USER MOD Set 4.2: A 30 HIS : no HD1:sc= 0 X(o=-0.022,f=-0.076) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0325) USER MOD Single : A 2 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.68) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc=0.000392 X(o=0.00039,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -130:sc= 0.62 (180deg=0.00304) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= 0.871 K(o=0.87,f=-2.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 14 ASN : amide:sc= 0.297 K(o=0.3,f=-4.9!) USER MOD Single : A 15 THR OG1 : rot -132:sc= 1.23 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot -62:sc= 0.568 USER MOD Single : A 26 THR OG1 : rot -85:sc= 1.28 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -20:sc= 1.27 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 3:sc= 0.765 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= -0.0128 (180deg=-0.144) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 106:sc= 0.23 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -132:sc= 1.2 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.407 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 30:sc= -0.405! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -154:sc= 1.21 (180deg=0.647) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.18) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.0846 K(o=0.085,f=-4.6!) USER MOD Single : A 86 LYS NZ :NH3+ -152:sc= 1.2 (180deg=1) USER MOD Single : A 93 ASN : amide:sc=-0.00852 K(o=-0.0085,f=-0.75) USER MOD Single : A 94 GLN : amide:sc= -1.56! C(o=-1.6!,f=-2.6!) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -1.84! C(o=-3!,f=-1.8!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.418 15.554 1.345 1.00 2.73 N ATOM 2 CA MET A 1 -2.808 14.989 2.571 1.00 1.99 C ATOM 3 C MET A 1 -2.784 13.469 2.498 1.00 1.53 C ATOM 4 O MET A 1 -1.717 12.855 2.418 1.00 2.16 O ATOM 5 CB MET A 1 -3.580 15.438 3.820 1.00 2.50 C ATOM 6 CG MET A 1 -3.545 16.938 4.063 1.00 3.10 C ATOM 7 SD MET A 1 -1.868 17.573 4.250 1.00 4.10 S ATOM 8 CE MET A 1 -2.196 19.307 4.550 1.00 4.70 C ATOM 0 H1 MET A 1 -3.336 16.591 1.362 1.00 2.73 H new ATOM 0 H2 MET A 1 -2.925 15.182 0.509 1.00 2.73 H new ATOM 0 H3 MET A 1 -4.422 15.287 1.302 1.00 2.73 H new ATOM 0 HA MET A 1 -1.785 15.359 2.642 1.00 1.99 H new ATOM 0 HB2 MET A 1 -4.618 15.120 3.727 1.00 2.50 H new ATOM 0 HB3 MET A 1 -3.168 14.929 4.692 1.00 2.50 H new ATOM 0 HG2 MET A 1 -4.032 17.448 3.232 1.00 3.10 H new ATOM 0 HG3 MET A 1 -4.119 17.170 4.960 1.00 3.10 H new ATOM 0 HE1 MET A 1 -1.254 19.837 4.687 1.00 4.70 H new ATOM 0 HE2 MET A 1 -2.730 19.729 3.698 1.00 4.70 H new ATOM 0 HE3 MET A 1 -2.805 19.412 5.448 1.00 4.70 H new ATOM 20 N GLN A 2 -3.965 12.868 2.506 1.00 0.97 N ATOM 21 CA GLN A 2 -4.092 11.425 2.437 1.00 0.74 C ATOM 22 C GLN A 2 -5.485 11.067 1.942 1.00 0.65 C ATOM 23 O GLN A 2 -6.482 11.290 2.629 1.00 0.86 O ATOM 24 CB GLN A 2 -3.829 10.791 3.802 1.00 1.18 C ATOM 25 CG GLN A 2 -3.591 9.291 3.742 1.00 1.83 C ATOM 26 CD GLN A 2 -2.426 8.919 2.847 1.00 2.42 C ATOM 27 OE1 GLN A 2 -2.597 8.672 1.654 1.00 2.91 O ATOM 28 NE2 GLN A 2 -1.230 8.905 3.413 1.00 3.09 N ATOM 0 H GLN A 2 -4.854 13.365 2.560 1.00 0.97 H new ATOM 0 HA GLN A 2 -3.350 11.035 1.741 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -2.961 11.270 4.254 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -4.679 10.990 4.455 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -3.405 8.916 4.748 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -4.493 8.798 3.380 1.00 1.83 H new ATOM 0 HE21 GLN A 2 -1.133 9.116 4.406 1.00 3.09 H new ATOM 0 HE22 GLN A 2 -0.405 8.683 2.856 1.00 3.09 H new ATOM 37 N ASP A 3 -5.532 10.524 0.746 1.00 0.48 N ATOM 38 CA ASP A 3 -6.784 10.219 0.069 1.00 0.44 C ATOM 39 C ASP A 3 -6.542 9.129 -0.962 1.00 0.32 C ATOM 40 O ASP A 3 -5.447 8.585 -1.024 1.00 0.32 O ATOM 41 CB ASP A 3 -7.352 11.473 -0.608 1.00 0.55 C ATOM 42 CG ASP A 3 -6.347 12.148 -1.520 1.00 1.30 C ATOM 43 OD1 ASP A 3 -6.023 11.576 -2.583 1.00 1.97 O ATOM 44 OD2 ASP A 3 -5.874 13.252 -1.181 1.00 1.67 O ATOM 0 H ASP A 3 -4.701 10.278 0.208 1.00 0.48 H new ATOM 0 HA ASP A 3 -7.512 9.872 0.803 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.236 11.201 -1.185 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -7.675 12.179 0.157 1.00 0.55 H new ATOM 49 N TRP A 4 -7.548 8.829 -1.779 1.00 0.32 N ATOM 50 CA TRP A 4 -7.446 7.747 -2.760 1.00 0.27 C ATOM 51 C TRP A 4 -6.322 7.996 -3.773 1.00 0.24 C ATOM 52 O TRP A 4 -5.649 7.060 -4.208 1.00 0.25 O ATOM 53 CB TRP A 4 -8.788 7.545 -3.484 1.00 0.29 C ATOM 54 CG TRP A 4 -8.735 6.504 -4.568 1.00 0.28 C ATOM 55 CD1 TRP A 4 -9.087 6.665 -5.877 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.292 5.150 -4.437 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.875 5.499 -6.569 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.385 4.554 -5.708 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.817 4.389 -3.370 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -8.026 3.231 -5.936 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.462 3.075 -3.595 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.563 2.507 -4.870 1.00 0.22 C ATOM 0 H TRP A 4 -8.443 9.318 -1.783 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.199 6.836 -2.215 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.546 7.260 -2.754 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -9.104 8.494 -3.918 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.476 7.577 -6.306 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -9.054 5.359 -7.563 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.728 4.821 -2.384 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -8.109 2.790 -6.918 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.100 2.475 -2.773 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.270 1.478 -5.016 1.00 0.22 H new ATOM 73 N LEU A 5 -6.105 9.250 -4.139 1.00 0.28 N ATOM 74 CA LEU A 5 -5.083 9.582 -5.122 1.00 0.32 C ATOM 75 C LEU A 5 -3.692 9.452 -4.504 1.00 0.32 C ATOM 76 O LEU A 5 -2.742 9.028 -5.166 1.00 0.35 O ATOM 77 CB LEU A 5 -5.284 11.003 -5.666 1.00 0.42 C ATOM 78 CG LEU A 5 -6.599 11.266 -6.419 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.827 10.217 -7.495 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.785 11.333 -5.465 1.00 0.84 C ATOM 0 H LEU A 5 -6.619 10.051 -3.773 1.00 0.28 H new ATOM 0 HA LEU A 5 -5.172 8.881 -5.952 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.223 11.701 -4.831 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.455 11.233 -6.335 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.512 12.238 -6.904 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -7.763 10.425 -8.013 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -6.004 10.243 -8.209 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.878 9.230 -7.036 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.697 11.520 -6.031 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.877 10.387 -4.931 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.631 12.140 -4.749 1.00 0.84 H new ATOM 92 N THR A 6 -3.581 9.813 -3.233 1.00 0.34 N ATOM 93 CA THR A 6 -2.324 9.680 -2.509 1.00 0.40 C ATOM 94 C THR A 6 -2.066 8.212 -2.165 1.00 0.35 C ATOM 95 O THR A 6 -0.944 7.713 -2.285 1.00 0.37 O ATOM 96 CB THR A 6 -2.340 10.514 -1.214 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.751 11.856 -1.502 1.00 0.59 O ATOM 98 CG2 THR A 6 -0.965 10.538 -0.562 1.00 0.61 C ATOM 0 H THR A 6 -4.347 10.200 -2.682 1.00 0.34 H new ATOM 0 HA THR A 6 -1.526 10.050 -3.153 1.00 0.40 H new ATOM 0 HB THR A 6 -3.046 10.051 -0.524 1.00 0.52 H new ATOM 0 HG1 THR A 6 -2.761 12.380 -0.674 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.005 11.134 0.350 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.660 9.520 -0.318 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.243 10.977 -1.251 1.00 0.61 H new ATOM 106 N PHE A 7 -3.133 7.538 -1.752 1.00 0.29 N ATOM 107 CA PHE A 7 -3.104 6.121 -1.407 1.00 0.26 C ATOM 108 C PHE A 7 -2.538 5.305 -2.561 1.00 0.23 C ATOM 109 O PHE A 7 -1.709 4.417 -2.360 1.00 0.24 O ATOM 110 CB PHE A 7 -4.533 5.660 -1.087 1.00 0.24 C ATOM 111 CG PHE A 7 -4.641 4.292 -0.476 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.505 3.162 -1.265 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.861 4.134 0.884 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.593 1.899 -0.710 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.949 2.875 1.443 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.865 1.767 0.662 1.00 0.27 C ATOM 0 H PHE A 7 -4.053 7.965 -1.646 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.464 5.971 -0.538 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.987 6.381 -0.407 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.118 5.677 -2.007 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.328 3.269 -2.325 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.965 5.006 1.513 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.454 1.022 -1.325 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -5.086 2.770 2.509 1.00 0.29 H new ATOM 0 HZ PHE A 7 -5.007 0.788 1.094 1.00 0.27 H new ATOM 126 N GLN A 8 -2.989 5.625 -3.766 1.00 0.23 N ATOM 127 CA GLN A 8 -2.566 4.928 -4.965 1.00 0.24 C ATOM 128 C GLN A 8 -1.062 4.980 -5.164 1.00 0.24 C ATOM 129 O GLN A 8 -0.398 3.949 -5.140 1.00 0.25 O ATOM 130 CB GLN A 8 -3.239 5.524 -6.183 1.00 0.27 C ATOM 131 CG GLN A 8 -4.582 4.897 -6.510 1.00 0.27 C ATOM 132 CD GLN A 8 -5.238 5.533 -7.716 1.00 0.32 C ATOM 133 OE1 GLN A 8 -5.028 5.106 -8.850 1.00 0.61 O ATOM 134 NE2 GLN A 8 -6.036 6.560 -7.481 1.00 0.45 N ATOM 0 H GLN A 8 -3.658 6.376 -3.936 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.858 3.885 -4.840 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.377 6.593 -6.023 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.578 5.413 -7.042 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.447 3.831 -6.693 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.243 4.991 -5.649 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.183 6.883 -6.525 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.505 7.030 -8.256 1.00 0.45 H new ATOM 143 N LYS A 9 -0.528 6.183 -5.352 1.00 0.26 N ATOM 144 CA LYS A 9 0.888 6.356 -5.658 1.00 0.29 C ATOM 145 C LYS A 9 1.767 5.647 -4.632 1.00 0.29 C ATOM 146 O LYS A 9 2.826 5.112 -4.959 1.00 0.33 O ATOM 147 CB LYS A 9 1.233 7.843 -5.671 1.00 0.32 C ATOM 148 CG LYS A 9 0.393 8.670 -6.629 1.00 0.33 C ATOM 149 CD LYS A 9 0.620 10.152 -6.395 1.00 0.67 C ATOM 150 CE LYS A 9 -0.163 11.018 -7.373 1.00 1.20 C ATOM 151 NZ LYS A 9 -1.624 10.994 -7.101 1.00 1.88 N ATOM 0 H LYS A 9 -1.056 7.054 -5.298 1.00 0.26 H new ATOM 0 HA LYS A 9 1.077 5.918 -6.638 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.112 8.241 -4.664 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.284 7.958 -5.935 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.648 8.415 -7.658 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.662 8.432 -6.494 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.329 10.405 -5.376 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.683 10.374 -6.488 1.00 0.67 H new ATOM 0 HE2 LYS A 9 0.198 12.045 -7.316 1.00 1.20 H new ATOM 0 HE3 LYS A 9 0.021 10.671 -8.390 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -2.138 10.791 -7.982 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 -1.834 10.256 -6.400 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 -1.923 11.919 -6.731 1.00 1.88 H new ATOM 165 N LYS A 10 1.310 5.653 -3.393 1.00 0.28 N ATOM 166 CA LYS A 10 2.111 5.162 -2.279 1.00 0.30 C ATOM 167 C LYS A 10 1.887 3.684 -1.961 1.00 0.26 C ATOM 168 O LYS A 10 2.678 3.089 -1.227 1.00 0.29 O ATOM 169 CB LYS A 10 1.859 6.016 -1.034 1.00 0.38 C ATOM 170 CG LYS A 10 2.378 7.438 -1.176 1.00 0.63 C ATOM 171 CD LYS A 10 2.275 8.219 0.126 1.00 0.73 C ATOM 172 CE LYS A 10 2.810 9.632 -0.042 1.00 1.10 C ATOM 173 NZ LYS A 10 2.854 10.383 1.240 1.00 1.34 N ATOM 0 H LYS A 10 0.385 5.993 -3.129 1.00 0.28 H new ATOM 0 HA LYS A 10 3.152 5.249 -2.590 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.789 6.044 -0.830 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.335 5.545 -0.174 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.418 7.413 -1.502 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.813 7.953 -1.953 1.00 0.63 H new ATOM 0 HD2 LYS A 10 1.235 8.256 0.450 1.00 0.73 H new ATOM 0 HD3 LYS A 10 2.834 7.705 0.908 1.00 0.73 H new ATOM 0 HE2 LYS A 10 3.812 9.589 -0.468 1.00 1.10 H new ATOM 0 HE3 LYS A 10 2.184 10.171 -0.753 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 3.226 11.339 1.070 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 1.895 10.450 1.636 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 3.472 9.886 1.913 1.00 1.34 H new ATOM 187 N HIS A 11 0.823 3.082 -2.479 1.00 0.25 N ATOM 188 CA HIS A 11 0.513 1.699 -2.108 1.00 0.24 C ATOM 189 C HIS A 11 0.159 0.825 -3.303 1.00 0.23 C ATOM 190 O HIS A 11 0.107 -0.390 -3.177 1.00 0.26 O ATOM 191 CB HIS A 11 -0.625 1.643 -1.083 1.00 0.26 C ATOM 192 CG HIS A 11 -0.267 2.222 0.250 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.614 1.620 1.124 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.668 3.367 0.852 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.736 2.369 2.204 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.029 3.435 2.066 1.00 0.37 N ATOM 0 H HIS A 11 0.174 3.511 -3.139 1.00 0.25 H new ATOM 0 HA HIS A 11 1.426 1.300 -1.666 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.487 2.178 -1.481 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.929 0.605 -0.948 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.095 0.736 0.961 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.361 4.092 0.452 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.358 2.146 3.058 1.00 0.34 H new ATOM 205 N ILE A 12 -0.077 1.421 -4.454 1.00 0.23 N ATOM 206 CA ILE A 12 -0.455 0.650 -5.629 1.00 0.24 C ATOM 207 C ILE A 12 0.750 0.443 -6.538 1.00 0.23 C ATOM 208 O ILE A 12 1.298 1.400 -7.091 1.00 0.30 O ATOM 209 CB ILE A 12 -1.595 1.337 -6.420 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.842 1.488 -5.542 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.928 0.556 -7.681 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.386 0.177 -5.012 1.00 0.48 C ATOM 0 H ILE A 12 -0.016 2.428 -4.604 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.818 -0.318 -5.282 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.253 2.329 -6.714 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.604 2.138 -4.700 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.621 1.986 -6.119 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.732 1.059 -8.219 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.045 0.499 -8.318 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.246 -0.451 -7.412 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.268 0.370 -4.400 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.658 -0.468 -5.847 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.625 -0.315 -4.406 1.00 0.48 H new ATOM 224 N THR A 13 1.175 -0.807 -6.667 1.00 0.20 N ATOM 225 CA THR A 13 2.302 -1.136 -7.517 1.00 0.21 C ATOM 226 C THR A 13 1.964 -2.324 -8.416 1.00 0.22 C ATOM 227 O THR A 13 1.046 -3.099 -8.132 1.00 0.24 O ATOM 228 CB THR A 13 3.578 -1.432 -6.692 1.00 0.21 C ATOM 229 OG1 THR A 13 4.725 -1.454 -7.553 1.00 0.30 O ATOM 230 CG2 THR A 13 3.478 -2.762 -5.951 1.00 0.21 C ATOM 0 H THR A 13 0.754 -1.606 -6.193 1.00 0.20 H new ATOM 0 HA THR A 13 2.507 -0.265 -8.140 1.00 0.21 H new ATOM 0 HB THR A 13 3.681 -0.638 -5.953 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.528 -1.640 -7.023 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.393 -2.932 -5.384 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.628 -2.735 -5.269 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.341 -3.570 -6.670 1.00 0.21 H new ATOM 238 N ASN A 14 2.708 -2.452 -9.502 1.00 0.28 N ATOM 239 CA ASN A 14 2.472 -3.497 -10.486 1.00 0.33 C ATOM 240 C ASN A 14 3.614 -4.505 -10.487 1.00 0.32 C ATOM 241 O ASN A 14 3.748 -5.309 -11.411 1.00 0.36 O ATOM 242 CB ASN A 14 2.320 -2.884 -11.883 1.00 0.46 C ATOM 243 CG ASN A 14 3.572 -2.160 -12.356 1.00 1.36 C ATOM 244 OD1 ASN A 14 4.318 -1.579 -11.564 1.00 2.20 O ATOM 245 ND2 ASN A 14 3.817 -2.192 -13.654 1.00 2.08 N ATOM 0 H ASN A 14 3.490 -1.837 -9.727 1.00 0.28 H new ATOM 0 HA ASN A 14 1.551 -4.014 -10.219 1.00 0.33 H new ATOM 0 HB2 ASN A 14 2.073 -3.672 -12.594 1.00 0.46 H new ATOM 0 HB3 ASN A 14 1.483 -2.185 -11.878 1.00 0.46 H new ATOM 0 HD21 ASN A 14 4.644 -1.727 -14.029 1.00 2.08 H new ATOM 0 HD22 ASN A 14 3.179 -2.682 -14.281 1.00 2.08 H new ATOM 252 N THR A 15 4.435 -4.461 -9.452 1.00 0.33 N ATOM 253 CA THR A 15 5.563 -5.371 -9.336 1.00 0.36 C ATOM 254 C THR A 15 5.604 -6.021 -7.954 1.00 0.33 C ATOM 255 O THR A 15 5.260 -5.397 -6.950 1.00 0.36 O ATOM 256 CB THR A 15 6.899 -4.640 -9.618 1.00 0.42 C ATOM 257 OG1 THR A 15 8.009 -5.534 -9.455 1.00 0.48 O ATOM 258 CG2 THR A 15 7.077 -3.437 -8.703 1.00 0.43 C ATOM 0 H THR A 15 4.342 -3.803 -8.678 1.00 0.33 H new ATOM 0 HA THR A 15 5.431 -6.153 -10.084 1.00 0.36 H new ATOM 0 HB THR A 15 6.867 -4.290 -10.650 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.698 -5.104 -8.907 1.00 0.48 H new ATOM 0 HG21 THR A 15 8.024 -2.947 -8.927 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.258 -2.735 -8.862 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.076 -3.767 -7.664 1.00 0.43 H new ATOM 266 N ARG A 16 6.001 -7.288 -7.914 1.00 0.32 N ATOM 267 CA ARG A 16 6.190 -7.994 -6.653 1.00 0.31 C ATOM 268 C ARG A 16 7.542 -7.634 -6.067 1.00 0.33 C ATOM 269 O ARG A 16 7.759 -7.721 -4.856 1.00 0.45 O ATOM 270 CB ARG A 16 6.098 -9.508 -6.860 1.00 0.36 C ATOM 271 CG ARG A 16 4.684 -9.998 -7.100 1.00 0.45 C ATOM 272 CD ARG A 16 3.854 -9.908 -5.834 1.00 0.38 C ATOM 273 NE ARG A 16 4.235 -10.918 -4.849 1.00 0.32 N ATOM 274 CZ ARG A 16 4.294 -10.697 -3.537 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.124 -9.470 -3.058 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.554 -11.700 -2.708 1.00 0.51 N ATOM 0 H ARG A 16 6.199 -7.848 -8.743 1.00 0.32 H new ATOM 0 HA ARG A 16 5.402 -7.694 -5.963 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.721 -9.790 -7.709 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.506 -10.012 -5.984 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.219 -9.404 -7.887 1.00 0.45 H new ATOM 0 HG3 ARG A 16 4.708 -11.030 -7.451 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.968 -8.916 -5.397 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.800 -10.027 -6.084 1.00 0.38 H new ATOM 0 HE ARG A 16 4.471 -11.851 -5.188 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.948 -8.694 -3.696 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.170 -9.304 -2.053 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.708 -12.639 -3.076 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.600 -11.532 -1.703 1.00 0.51 H new ATOM 290 N ASP A 17 8.446 -7.226 -6.939 1.00 0.37 N ATOM 291 CA ASP A 17 9.766 -6.784 -6.527 1.00 0.42 C ATOM 292 C ASP A 17 9.872 -5.280 -6.733 1.00 0.36 C ATOM 293 O ASP A 17 10.105 -4.813 -7.849 1.00 0.46 O ATOM 294 CB ASP A 17 10.849 -7.513 -7.334 1.00 0.60 C ATOM 295 CG ASP A 17 12.250 -7.281 -6.795 1.00 1.16 C ATOM 296 OD1 ASP A 17 12.848 -6.228 -7.115 1.00 1.40 O ATOM 297 OD2 ASP A 17 12.758 -8.139 -6.045 1.00 1.94 O ATOM 0 H ASP A 17 8.288 -7.192 -7.946 1.00 0.37 H new ATOM 0 HA ASP A 17 9.915 -7.017 -5.473 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.638 -8.582 -7.332 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.806 -7.182 -8.372 1.00 0.60 H new ATOM 302 N VAL A 18 9.631 -4.520 -5.672 1.00 0.31 N ATOM 303 CA VAL A 18 9.701 -3.070 -5.755 1.00 0.29 C ATOM 304 C VAL A 18 11.153 -2.616 -5.826 1.00 0.29 C ATOM 305 O VAL A 18 12.011 -3.139 -5.112 1.00 0.35 O ATOM 306 CB VAL A 18 9.037 -2.366 -4.545 1.00 0.36 C ATOM 307 CG1 VAL A 18 9.065 -0.857 -4.707 1.00 0.53 C ATOM 308 CG2 VAL A 18 7.609 -2.813 -4.334 1.00 0.58 C ATOM 0 H VAL A 18 9.387 -4.882 -4.750 1.00 0.31 H new ATOM 0 HA VAL A 18 9.157 -2.791 -6.658 1.00 0.29 H new ATOM 0 HB VAL A 18 9.620 -2.652 -3.669 1.00 0.36 H new ATOM 0 HG11 VAL A 18 8.592 -0.390 -3.843 1.00 0.53 H new ATOM 0 HG12 VAL A 18 10.098 -0.518 -4.783 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.525 -0.578 -5.612 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.188 -2.291 -3.475 1.00 0.58 H new ATOM 0 HG22 VAL A 18 7.021 -2.583 -5.222 1.00 0.58 H new ATOM 0 HG23 VAL A 18 7.587 -3.888 -4.153 1.00 0.58 H new ATOM 318 N ASP A 19 11.423 -1.643 -6.680 1.00 0.34 N ATOM 319 CA ASP A 19 12.726 -0.996 -6.713 1.00 0.41 C ATOM 320 C ASP A 19 12.798 0.007 -5.558 1.00 0.39 C ATOM 321 O ASP A 19 12.995 1.207 -5.754 1.00 0.46 O ATOM 322 CB ASP A 19 12.925 -0.309 -8.069 1.00 0.58 C ATOM 323 CG ASP A 19 14.327 0.222 -8.275 1.00 1.11 C ATOM 324 OD1 ASP A 19 15.279 -0.424 -7.788 1.00 1.28 O ATOM 325 OD2 ASP A 19 14.484 1.290 -8.903 1.00 1.91 O ATOM 0 H ASP A 19 10.756 -1.282 -7.362 1.00 0.34 H new ATOM 0 HA ASP A 19 13.525 -1.728 -6.593 1.00 0.41 H new ATOM 0 HB2 ASP A 19 12.693 -1.017 -8.864 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.216 0.514 -8.158 1.00 0.58 H new ATOM 330 N CYS A 20 12.607 -0.521 -4.347 1.00 0.38 N ATOM 331 CA CYS A 20 12.376 0.278 -3.147 1.00 0.40 C ATOM 332 C CYS A 20 13.419 1.378 -2.960 1.00 0.38 C ATOM 333 O CYS A 20 13.075 2.545 -2.795 1.00 0.39 O ATOM 334 CB CYS A 20 12.376 -0.615 -1.909 1.00 0.51 C ATOM 335 SG CYS A 20 11.353 -2.110 -2.063 1.00 0.93 S ATOM 0 H CYS A 20 12.609 -1.526 -4.173 1.00 0.38 H new ATOM 0 HA CYS A 20 11.404 0.754 -3.276 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.402 -0.912 -1.690 1.00 0.51 H new ATOM 0 HB3 CYS A 20 12.023 -0.034 -1.057 1.00 0.51 H new ATOM 340 N ASP A 21 14.694 0.999 -3.007 1.00 0.47 N ATOM 341 CA ASP A 21 15.793 1.915 -2.680 1.00 0.59 C ATOM 342 C ASP A 21 15.994 2.993 -3.743 1.00 0.53 C ATOM 343 O ASP A 21 16.936 3.779 -3.665 1.00 0.64 O ATOM 344 CB ASP A 21 17.097 1.139 -2.460 1.00 0.85 C ATOM 345 CG ASP A 21 17.502 0.302 -3.655 1.00 1.36 C ATOM 346 OD1 ASP A 21 16.871 -0.754 -3.885 1.00 2.26 O ATOM 347 OD2 ASP A 21 18.475 0.670 -4.346 1.00 1.66 O ATOM 0 H ASP A 21 14.996 0.061 -3.269 1.00 0.47 H new ATOM 0 HA ASP A 21 15.515 2.421 -1.756 1.00 0.59 H new ATOM 0 HB2 ASP A 21 17.897 1.843 -2.230 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.984 0.490 -1.592 1.00 0.85 H new ATOM 352 N ASN A 22 15.117 3.028 -4.733 1.00 0.50 N ATOM 353 CA ASN A 22 15.124 4.097 -5.722 1.00 0.49 C ATOM 354 C ASN A 22 13.761 4.773 -5.761 1.00 0.42 C ATOM 355 O ASN A 22 13.659 5.998 -5.831 1.00 0.43 O ATOM 356 CB ASN A 22 15.475 3.551 -7.101 1.00 0.59 C ATOM 357 CG ASN A 22 15.742 4.653 -8.107 1.00 0.69 C ATOM 358 OD1 ASN A 22 16.858 5.160 -8.209 1.00 1.07 O ATOM 359 ND2 ASN A 22 14.731 5.018 -8.876 1.00 1.14 N ATOM 0 H ASN A 22 14.389 2.328 -4.874 1.00 0.50 H new ATOM 0 HA ASN A 22 15.880 4.829 -5.438 1.00 0.49 H new ATOM 0 HB2 ASN A 22 16.355 2.913 -7.023 1.00 0.59 H new ATOM 0 HB3 ASN A 22 14.658 2.925 -7.460 1.00 0.59 H new ATOM 0 HD21 ASN A 22 14.863 5.742 -9.582 1.00 1.14 H new ATOM 0 HD22 ASN A 22 13.819 4.576 -8.763 1.00 1.14 H new ATOM 366 N ILE A 23 12.718 3.958 -5.710 1.00 0.40 N ATOM 367 CA ILE A 23 11.343 4.453 -5.689 1.00 0.38 C ATOM 368 C ILE A 23 11.062 5.270 -4.426 1.00 0.33 C ATOM 369 O ILE A 23 10.450 6.334 -4.496 1.00 0.34 O ATOM 370 CB ILE A 23 10.323 3.292 -5.798 1.00 0.39 C ATOM 371 CG1 ILE A 23 10.429 2.632 -7.177 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.902 3.785 -5.550 1.00 0.40 C ATOM 373 CD1 ILE A 23 9.450 1.499 -7.398 1.00 0.48 C ATOM 0 H ILE A 23 12.796 2.941 -5.682 1.00 0.40 H new ATOM 0 HA ILE A 23 11.227 5.102 -6.557 1.00 0.38 H new ATOM 0 HB ILE A 23 10.558 2.554 -5.031 1.00 0.39 H new ATOM 0 HG12 ILE A 23 10.270 3.390 -7.944 1.00 0.45 H new ATOM 0 HG13 ILE A 23 11.442 2.253 -7.309 1.00 0.45 H new ATOM 0 HG21 ILE A 23 8.207 2.949 -5.633 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.835 4.215 -4.551 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.646 4.544 -6.289 1.00 0.40 H new ATOM 0 HD11 ILE A 23 9.590 1.086 -8.397 1.00 0.48 H new ATOM 0 HD12 ILE A 23 9.622 0.719 -6.656 1.00 0.48 H new ATOM 0 HD13 ILE A 23 8.431 1.874 -7.300 1.00 0.48 H new ATOM 385 N LEU A 24 11.537 4.796 -3.281 1.00 0.30 N ATOM 386 CA LEU A 24 11.263 5.466 -2.011 1.00 0.29 C ATOM 387 C LEU A 24 12.139 6.701 -1.851 1.00 0.32 C ATOM 388 O LEU A 24 11.927 7.518 -0.952 1.00 0.33 O ATOM 389 CB LEU A 24 11.484 4.525 -0.824 1.00 0.31 C ATOM 390 CG LEU A 24 10.775 3.168 -0.904 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.874 2.435 0.419 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.323 3.328 -1.295 1.00 1.01 C ATOM 0 H LEU A 24 12.110 3.956 -3.203 1.00 0.30 H new ATOM 0 HA LEU A 24 10.216 5.768 -2.025 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.555 4.348 -0.720 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.155 5.032 0.083 1.00 0.31 H new ATOM 0 HG LEU A 24 11.275 2.581 -1.675 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.365 1.474 0.342 1.00 1.03 H new ATOM 0 HD12 LEU A 24 11.923 2.271 0.666 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.406 3.032 1.202 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.849 2.348 -1.343 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.812 3.942 -0.554 1.00 1.01 H new ATOM 0 HD23 LEU A 24 9.260 3.810 -2.271 1.00 1.01 H new ATOM 404 N SER A 25 13.115 6.837 -2.735 1.00 0.36 N ATOM 405 CA SER A 25 14.040 7.961 -2.692 1.00 0.41 C ATOM 406 C SER A 25 13.425 9.192 -3.356 1.00 0.42 C ATOM 407 O SER A 25 14.005 10.282 -3.334 1.00 0.49 O ATOM 408 CB SER A 25 15.352 7.582 -3.381 1.00 0.50 C ATOM 409 OG SER A 25 15.858 6.360 -2.867 1.00 1.28 O ATOM 0 H SER A 25 13.288 6.180 -3.495 1.00 0.36 H new ATOM 0 HA SER A 25 14.245 8.205 -1.650 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.190 7.490 -4.455 1.00 0.50 H new ATOM 0 HB3 SER A 25 16.086 8.374 -3.236 1.00 0.50 H new ATOM 0 HG SER A 25 16.055 6.463 -1.913 1.00 1.28 H new ATOM 415 N THR A 26 12.245 9.014 -3.939 1.00 0.41 N ATOM 416 CA THR A 26 11.533 10.110 -4.575 1.00 0.46 C ATOM 417 C THR A 26 10.937 11.039 -3.523 1.00 0.45 C ATOM 418 O THR A 26 10.926 10.714 -2.337 1.00 0.45 O ATOM 419 CB THR A 26 10.404 9.591 -5.485 1.00 0.49 C ATOM 420 OG1 THR A 26 9.494 8.788 -4.722 1.00 0.44 O ATOM 421 CG2 THR A 26 10.965 8.777 -6.639 1.00 0.56 C ATOM 0 H THR A 26 11.762 8.117 -3.983 1.00 0.41 H new ATOM 0 HA THR A 26 12.253 10.657 -5.184 1.00 0.46 H new ATOM 0 HB THR A 26 9.875 10.450 -5.897 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.826 7.867 -4.681 1.00 0.44 H new ATOM 0 HG21 THR A 26 10.147 8.423 -7.266 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.633 9.400 -7.233 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.518 7.923 -6.247 1.00 0.56 H new ATOM 429 N ASN A 27 10.423 12.179 -3.959 1.00 0.49 N ATOM 430 CA ASN A 27 9.844 13.157 -3.046 1.00 0.52 C ATOM 431 C ASN A 27 8.497 12.665 -2.515 1.00 0.52 C ATOM 432 O ASN A 27 7.961 13.198 -1.544 1.00 0.67 O ATOM 433 CB ASN A 27 9.666 14.494 -3.767 1.00 0.61 C ATOM 434 CG ASN A 27 9.438 15.648 -2.812 1.00 0.87 C ATOM 435 OD1 ASN A 27 9.976 15.667 -1.705 1.00 1.46 O ATOM 436 ND2 ASN A 27 8.642 16.616 -3.232 1.00 1.53 N ATOM 0 H ASN A 27 10.394 12.452 -4.941 1.00 0.49 H new ATOM 0 HA ASN A 27 10.520 13.290 -2.201 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.550 14.697 -4.371 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.821 14.423 -4.452 1.00 0.61 H new ATOM 0 HD21 ASN A 27 8.454 17.418 -2.631 1.00 1.53 H new ATOM 0 HD22 ASN A 27 8.216 16.561 -4.157 1.00 1.53 H new ATOM 443 N LEU A 28 7.962 11.638 -3.165 1.00 0.48 N ATOM 444 CA LEU A 28 6.688 11.046 -2.777 1.00 0.47 C ATOM 445 C LEU A 28 6.812 10.321 -1.435 1.00 0.45 C ATOM 446 O LEU A 28 5.872 10.291 -0.640 1.00 0.52 O ATOM 447 CB LEU A 28 6.225 10.070 -3.865 1.00 0.47 C ATOM 448 CG LEU A 28 4.862 9.415 -3.636 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.749 10.451 -3.673 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.617 8.332 -4.673 1.00 0.51 C ATOM 0 H LEU A 28 8.398 11.194 -3.973 1.00 0.48 H new ATOM 0 HA LEU A 28 5.951 11.841 -2.665 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.196 10.602 -4.816 1.00 0.47 H new ATOM 0 HB3 LEU A 28 6.973 9.283 -3.963 1.00 0.47 H new ATOM 0 HG LEU A 28 4.864 8.957 -2.647 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.790 9.961 -3.508 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.917 11.193 -2.892 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.742 10.943 -4.646 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.643 7.874 -4.498 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.637 8.772 -5.670 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.394 7.572 -4.596 1.00 0.51 H new ATOM 462 N PHE A 29 7.979 9.741 -1.191 1.00 0.42 N ATOM 463 CA PHE A 29 8.223 9.014 0.050 1.00 0.40 C ATOM 464 C PHE A 29 9.272 9.731 0.887 1.00 0.42 C ATOM 465 O PHE A 29 9.159 9.805 2.111 1.00 0.48 O ATOM 466 CB PHE A 29 8.683 7.586 -0.246 1.00 0.36 C ATOM 467 CG PHE A 29 7.721 6.800 -1.093 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.584 6.242 -0.531 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.948 6.625 -2.448 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.694 5.524 -1.303 1.00 0.44 C ATOM 471 CE2 PHE A 29 7.060 5.908 -3.225 1.00 0.39 C ATOM 472 CZ PHE A 29 5.958 5.338 -2.665 1.00 0.42 C ATOM 0 H PHE A 29 8.771 9.759 -1.834 1.00 0.42 H new ATOM 0 HA PHE A 29 7.289 8.973 0.611 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.649 7.623 -0.750 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.835 7.061 0.697 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.392 6.371 0.524 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.829 7.054 -2.902 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.801 5.109 -0.860 1.00 0.44 H new ATOM 0 HE2 PHE A 29 7.241 5.799 -4.284 1.00 0.39 H new ATOM 0 HZ PHE A 29 5.289 4.744 -3.270 1.00 0.42 H new ATOM 482 N HIS A 30 10.290 10.247 0.204 1.00 0.43 N ATOM 483 CA HIS A 30 11.373 11.007 0.823 1.00 0.52 C ATOM 484 C HIS A 30 12.127 10.158 1.845 1.00 0.45 C ATOM 485 O HIS A 30 12.499 10.638 2.916 1.00 0.48 O ATOM 486 CB HIS A 30 10.837 12.286 1.470 1.00 0.70 C ATOM 487 CG HIS A 30 11.849 13.390 1.523 1.00 1.23 C ATOM 488 ND1 HIS A 30 12.631 13.655 2.625 1.00 1.78 N ATOM 489 CD2 HIS A 30 12.212 14.293 0.582 1.00 2.07 C ATOM 490 CE1 HIS A 30 13.430 14.671 2.360 1.00 2.74 C ATOM 491 NE2 HIS A 30 13.196 15.077 1.128 1.00 2.97 N ATOM 0 H HIS A 30 10.388 10.148 -0.807 1.00 0.43 H new ATOM 0 HA HIS A 30 12.075 11.289 0.039 1.00 0.52 H new ATOM 0 HB2 HIS A 30 9.964 12.628 0.914 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.502 12.060 2.482 1.00 0.70 H new ATOM 0 HD2 HIS A 30 11.803 14.380 -0.414 1.00 2.07 H new ATOM 0 HE1 HIS A 30 14.154 15.098 3.038 1.00 2.74 H new ATOM 0 HE2 HIS A 30 13.669 15.848 0.658 1.00 2.97 H new ATOM 500 N CYS A 31 12.358 8.901 1.486 1.00 0.44 N ATOM 501 CA CYS A 31 13.122 7.965 2.309 1.00 0.45 C ATOM 502 C CYS A 31 12.493 7.770 3.693 1.00 0.40 C ATOM 503 O CYS A 31 13.038 8.206 4.712 1.00 0.47 O ATOM 504 CB CYS A 31 14.578 8.427 2.447 1.00 0.62 C ATOM 505 SG CYS A 31 15.379 8.856 0.860 1.00 1.10 S ATOM 0 H CYS A 31 12.020 8.498 0.612 1.00 0.44 H new ATOM 0 HA CYS A 31 13.103 7.001 1.800 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.612 9.295 3.105 1.00 0.62 H new ATOM 0 HB3 CYS A 31 15.154 7.638 2.931 1.00 0.62 H new ATOM 510 N LYS A 32 11.326 7.133 3.716 1.00 0.39 N ATOM 511 CA LYS A 32 10.663 6.774 4.967 1.00 0.43 C ATOM 512 C LYS A 32 11.321 5.544 5.589 1.00 0.45 C ATOM 513 O LYS A 32 12.312 5.032 5.068 1.00 0.55 O ATOM 514 CB LYS A 32 9.170 6.542 4.718 1.00 0.50 C ATOM 515 CG LYS A 32 8.856 5.340 3.842 1.00 0.53 C ATOM 516 CD LYS A 32 7.457 5.446 3.253 1.00 0.90 C ATOM 517 CE LYS A 32 6.388 5.467 4.334 1.00 2.05 C ATOM 518 NZ LYS A 32 5.020 5.549 3.759 1.00 2.72 N ATOM 0 H LYS A 32 10.817 6.853 2.878 1.00 0.39 H new ATOM 0 HA LYS A 32 10.767 7.596 5.675 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.670 6.416 5.678 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.749 7.434 4.254 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.589 5.270 3.038 1.00 0.53 H new ATOM 0 HG3 LYS A 32 8.939 4.426 4.429 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.384 6.352 2.652 1.00 0.90 H new ATOM 0 HD3 LYS A 32 7.280 4.604 2.583 1.00 0.90 H new ATOM 0 HE2 LYS A 32 6.472 4.568 4.945 1.00 2.05 H new ATOM 0 HE3 LYS A 32 6.556 6.318 4.994 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 4.353 5.043 4.376 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 4.734 6.546 3.684 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 5.014 5.115 2.814 1.00 2.72 H new ATOM 532 N ASP A 33 10.798 5.096 6.717 1.00 0.49 N ATOM 533 CA ASP A 33 11.311 3.892 7.363 1.00 0.54 C ATOM 534 C ASP A 33 10.921 2.659 6.555 1.00 0.48 C ATOM 535 O ASP A 33 11.778 1.895 6.106 1.00 0.51 O ATOM 536 CB ASP A 33 10.772 3.787 8.793 1.00 0.66 C ATOM 537 CG ASP A 33 11.490 2.736 9.618 1.00 1.28 C ATOM 538 OD1 ASP A 33 12.654 2.965 10.013 1.00 1.57 O ATOM 539 OD2 ASP A 33 10.898 1.667 9.857 1.00 2.06 O ATOM 0 H ASP A 33 10.022 5.543 7.206 1.00 0.49 H new ATOM 0 HA ASP A 33 12.398 3.951 7.407 1.00 0.54 H new ATOM 0 HB2 ASP A 33 10.868 4.755 9.284 1.00 0.66 H new ATOM 0 HB3 ASP A 33 9.708 3.551 8.759 1.00 0.66 H new ATOM 544 N LYS A 34 9.617 2.479 6.364 1.00 0.44 N ATOM 545 CA LYS A 34 9.099 1.357 5.592 1.00 0.41 C ATOM 546 C LYS A 34 7.898 1.777 4.757 1.00 0.38 C ATOM 547 O LYS A 34 7.185 2.711 5.113 1.00 0.43 O ATOM 548 CB LYS A 34 8.662 0.233 6.524 1.00 0.48 C ATOM 549 CG LYS A 34 9.767 -0.320 7.398 1.00 0.95 C ATOM 550 CD LYS A 34 9.184 -0.982 8.627 1.00 1.27 C ATOM 551 CE LYS A 34 8.298 -2.164 8.265 1.00 1.96 C ATOM 552 NZ LYS A 34 7.639 -2.752 9.462 1.00 2.60 N ATOM 0 H LYS A 34 8.898 3.100 6.736 1.00 0.44 H new ATOM 0 HA LYS A 34 9.898 1.015 4.935 1.00 0.41 H new ATOM 0 HB2 LYS A 34 7.859 0.599 7.163 1.00 0.48 H new ATOM 0 HB3 LYS A 34 8.248 -0.579 5.925 1.00 0.48 H new ATOM 0 HG2 LYS A 34 10.359 -1.041 6.834 1.00 0.95 H new ATOM 0 HG3 LYS A 34 10.441 0.483 7.695 1.00 0.95 H new ATOM 0 HD2 LYS A 34 9.992 -1.319 9.276 1.00 1.27 H new ATOM 0 HD3 LYS A 34 8.604 -0.253 9.192 1.00 1.27 H new ATOM 0 HE2 LYS A 34 7.538 -1.843 7.553 1.00 1.96 H new ATOM 0 HE3 LYS A 34 8.897 -2.928 7.769 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 7.044 -3.554 9.172 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 8.364 -3.082 10.130 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 7.047 -2.031 9.922 1.00 2.60 H new ATOM 566 N ASN A 35 7.665 1.079 3.657 1.00 0.37 N ATOM 567 CA ASN A 35 6.493 1.331 2.834 1.00 0.36 C ATOM 568 C ASN A 35 5.983 0.033 2.222 1.00 0.34 C ATOM 569 O ASN A 35 6.634 -0.548 1.352 1.00 0.38 O ATOM 570 CB ASN A 35 6.795 2.335 1.720 1.00 0.36 C ATOM 571 CG ASN A 35 5.529 2.882 1.087 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.962 3.873 1.557 1.00 0.75 O ATOM 573 ND2 ASN A 35 5.078 2.247 0.021 1.00 0.35 N ATOM 0 H ASN A 35 8.271 0.334 3.314 1.00 0.37 H new ATOM 0 HA ASN A 35 5.726 1.755 3.482 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.383 3.159 2.125 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.404 1.854 0.955 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.231 2.572 -0.446 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.576 1.432 -0.336 1.00 0.35 H new ATOM 580 N THR A 36 4.832 -0.422 2.686 1.00 0.32 N ATOM 581 CA THR A 36 4.225 -1.632 2.160 1.00 0.30 C ATOM 582 C THR A 36 3.423 -1.331 0.891 1.00 0.26 C ATOM 583 O THR A 36 2.432 -0.591 0.924 1.00 0.28 O ATOM 584 CB THR A 36 3.303 -2.283 3.211 1.00 0.36 C ATOM 585 OG1 THR A 36 3.998 -2.412 4.463 1.00 0.45 O ATOM 586 CG2 THR A 36 2.836 -3.655 2.745 1.00 0.37 C ATOM 0 H THR A 36 4.298 0.030 3.428 1.00 0.32 H new ATOM 0 HA THR A 36 5.029 -2.326 1.915 1.00 0.30 H new ATOM 0 HB THR A 36 2.431 -1.642 3.343 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.964 -2.365 4.307 1.00 0.45 H new ATOM 0 HG21 THR A 36 2.187 -4.095 3.502 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.285 -3.554 1.810 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.701 -4.300 2.589 1.00 0.37 H new ATOM 594 N PHE A 37 3.877 -1.886 -0.226 1.00 0.21 N ATOM 595 CA PHE A 37 3.187 -1.751 -1.500 1.00 0.18 C ATOM 596 C PHE A 37 2.252 -2.931 -1.716 1.00 0.18 C ATOM 597 O PHE A 37 2.438 -4.005 -1.140 1.00 0.21 O ATOM 598 CB PHE A 37 4.187 -1.685 -2.659 1.00 0.17 C ATOM 599 CG PHE A 37 5.098 -0.496 -2.646 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.267 -0.504 -1.899 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.765 0.645 -3.353 1.00 0.19 C ATOM 602 CE1 PHE A 37 7.079 0.606 -1.859 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.580 1.753 -3.320 1.00 0.20 C ATOM 604 CZ PHE A 37 6.823 1.667 -2.675 1.00 0.20 C ATOM 0 H PHE A 37 4.732 -2.441 -0.273 1.00 0.21 H new ATOM 0 HA PHE A 37 2.613 -0.825 -1.474 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.795 -2.589 -2.645 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.632 -1.688 -3.597 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.542 -1.389 -1.344 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.857 0.666 -3.937 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.919 0.636 -1.181 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.267 2.677 -3.784 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.569 2.434 -2.824 1.00 0.20 H new ATOM 614 N ILE A 38 1.256 -2.723 -2.551 1.00 0.18 N ATOM 615 CA ILE A 38 0.280 -3.746 -2.862 1.00 0.17 C ATOM 616 C ILE A 38 0.363 -4.107 -4.337 1.00 0.17 C ATOM 617 O ILE A 38 0.154 -3.254 -5.201 1.00 0.18 O ATOM 618 CB ILE A 38 -1.147 -3.250 -2.541 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.235 -2.806 -1.076 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.180 -4.332 -2.842 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.488 -2.020 -0.748 1.00 0.22 C ATOM 0 H ILE A 38 1.100 -1.838 -3.034 1.00 0.18 H new ATOM 0 HA ILE A 38 0.497 -4.624 -2.254 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.366 -2.393 -3.178 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.193 -3.687 -0.436 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.363 -2.197 -0.838 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.177 -3.959 -2.608 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.131 -4.598 -3.898 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -1.971 -5.213 -2.236 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.478 -1.742 0.306 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.523 -1.119 -1.361 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.366 -2.633 -0.953 1.00 0.22 H new ATOM 633 N TYR A 39 0.693 -5.359 -4.622 1.00 0.16 N ATOM 634 CA TYR A 39 0.715 -5.843 -5.991 1.00 0.17 C ATOM 635 C TYR A 39 -0.706 -6.150 -6.438 1.00 0.18 C ATOM 636 O TYR A 39 -1.175 -7.291 -6.364 1.00 0.18 O ATOM 637 CB TYR A 39 1.608 -7.081 -6.127 1.00 0.20 C ATOM 638 CG TYR A 39 1.604 -7.700 -7.511 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.139 -7.020 -8.602 1.00 0.26 C ATOM 640 CD2 TYR A 39 1.069 -8.962 -7.727 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.137 -7.581 -9.863 1.00 0.31 C ATOM 642 CE2 TYR A 39 1.067 -9.528 -8.988 1.00 0.34 C ATOM 643 CZ TYR A 39 1.594 -8.836 -10.051 1.00 0.35 C ATOM 644 OH TYR A 39 1.599 -9.400 -11.306 1.00 0.40 O ATOM 0 H TYR A 39 0.949 -6.056 -3.922 1.00 0.16 H new ATOM 0 HA TYR A 39 1.135 -5.068 -6.632 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.631 -6.808 -5.866 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.284 -7.830 -5.405 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.563 -6.037 -8.459 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.648 -9.510 -6.897 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.558 -7.041 -10.698 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.651 -10.514 -9.137 1.00 0.34 H new ATOM 0 HH TYR A 39 1.181 -10.286 -11.268 1.00 0.40 H new ATOM 654 N SER A 40 -1.392 -5.099 -6.842 1.00 0.23 N ATOM 655 CA SER A 40 -2.764 -5.162 -7.307 1.00 0.26 C ATOM 656 C SER A 40 -3.102 -3.840 -7.965 1.00 0.29 C ATOM 657 O SER A 40 -2.482 -2.822 -7.661 1.00 0.50 O ATOM 658 CB SER A 40 -3.733 -5.434 -6.145 1.00 0.25 C ATOM 659 OG SER A 40 -3.621 -6.768 -5.679 1.00 0.93 O ATOM 0 H SER A 40 -1.002 -4.156 -6.856 1.00 0.23 H new ATOM 0 HA SER A 40 -2.867 -5.981 -8.019 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.526 -4.743 -5.328 1.00 0.25 H new ATOM 0 HB3 SER A 40 -4.756 -5.246 -6.471 1.00 0.25 H new ATOM 0 HG SER A 40 -2.909 -7.228 -6.171 1.00 0.93 H new ATOM 665 N ARG A 41 -4.056 -3.847 -8.876 1.00 0.25 N ATOM 666 CA ARG A 41 -4.446 -2.619 -9.536 1.00 0.27 C ATOM 667 C ARG A 41 -5.306 -1.769 -8.618 1.00 0.22 C ATOM 668 O ARG A 41 -5.906 -2.274 -7.670 1.00 0.23 O ATOM 669 CB ARG A 41 -5.175 -2.908 -10.846 1.00 0.33 C ATOM 670 CG ARG A 41 -4.242 -3.356 -11.947 1.00 0.54 C ATOM 671 CD ARG A 41 -3.135 -2.336 -12.149 1.00 1.08 C ATOM 672 NE ARG A 41 -2.241 -2.679 -13.246 1.00 1.30 N ATOM 673 CZ ARG A 41 -1.651 -1.769 -14.022 1.00 2.21 C ATOM 674 NH1 ARG A 41 -1.898 -0.473 -13.838 1.00 2.92 N ATOM 675 NH2 ARG A 41 -0.822 -2.154 -14.984 1.00 2.66 N ATOM 0 H ARG A 41 -4.568 -4.678 -9.172 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.540 -2.061 -9.773 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -5.926 -3.679 -10.676 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.705 -2.011 -11.167 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -3.811 -4.325 -11.696 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -4.799 -3.486 -12.875 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -3.579 -1.359 -12.341 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -2.556 -2.248 -11.229 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.057 -3.665 -13.430 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -2.539 -0.175 -13.103 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -1.446 0.222 -14.432 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -0.636 -3.146 -15.130 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -0.371 -1.458 -15.577 1.00 2.66 H new ATOM 689 N PRO A 42 -5.364 -0.464 -8.886 1.00 0.22 N ATOM 690 CA PRO A 42 -6.133 0.476 -8.077 1.00 0.21 C ATOM 691 C PRO A 42 -7.609 0.116 -8.012 1.00 0.20 C ATOM 692 O PRO A 42 -8.254 0.309 -6.988 1.00 0.23 O ATOM 693 CB PRO A 42 -5.947 1.820 -8.794 1.00 0.24 C ATOM 694 CG PRO A 42 -5.410 1.490 -10.144 1.00 0.25 C ATOM 695 CD PRO A 42 -4.671 0.198 -10.000 1.00 0.30 C ATOM 0 HA PRO A 42 -5.792 0.481 -7.042 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.893 2.357 -8.870 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.259 2.463 -8.246 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.217 1.397 -10.871 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.748 2.278 -10.502 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.717 -0.396 -10.913 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.616 0.360 -9.778 1.00 0.30 H new ATOM 703 N GLU A 43 -8.131 -0.449 -9.086 1.00 0.21 N ATOM 704 CA GLU A 43 -9.556 -0.701 -9.187 1.00 0.25 C ATOM 705 C GLU A 43 -10.009 -1.850 -8.275 1.00 0.23 C ATOM 706 O GLU A 43 -10.952 -1.683 -7.501 1.00 0.24 O ATOM 707 CB GLU A 43 -9.933 -0.957 -10.641 1.00 0.36 C ATOM 708 CG GLU A 43 -9.799 0.282 -11.513 1.00 0.48 C ATOM 709 CD GLU A 43 -10.446 1.507 -10.890 1.00 1.60 C ATOM 710 OE1 GLU A 43 -11.681 1.644 -10.986 1.00 1.99 O ATOM 711 OE2 GLU A 43 -9.717 2.340 -10.304 1.00 2.36 O ATOM 0 H GLU A 43 -7.590 -0.742 -9.899 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.082 0.188 -8.839 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.299 -1.748 -11.042 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.960 -1.318 -10.687 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -8.743 0.484 -11.691 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -10.255 0.089 -12.484 1.00 0.48 H new ATOM 718 N PRO A 44 -9.364 -3.033 -8.345 1.00 0.24 N ATOM 719 CA PRO A 44 -9.676 -4.152 -7.446 1.00 0.26 C ATOM 720 C PRO A 44 -9.417 -3.821 -5.975 1.00 0.24 C ATOM 721 O PRO A 44 -9.964 -4.467 -5.083 1.00 0.27 O ATOM 722 CB PRO A 44 -8.744 -5.276 -7.916 1.00 0.30 C ATOM 723 CG PRO A 44 -7.675 -4.594 -8.692 1.00 0.36 C ATOM 724 CD PRO A 44 -8.329 -3.398 -9.319 1.00 0.27 C ATOM 0 HA PRO A 44 -10.733 -4.414 -7.492 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.329 -5.823 -7.070 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.278 -5.999 -8.532 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -6.851 -4.295 -8.044 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.259 -5.256 -9.452 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.619 -2.586 -9.475 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.758 -3.637 -10.292 1.00 0.27 H new ATOM 732 N VAL A 45 -8.591 -2.809 -5.719 1.00 0.20 N ATOM 733 CA VAL A 45 -8.330 -2.382 -4.348 1.00 0.19 C ATOM 734 C VAL A 45 -9.360 -1.340 -3.922 1.00 0.17 C ATOM 735 O VAL A 45 -9.789 -1.303 -2.768 1.00 0.18 O ATOM 736 CB VAL A 45 -6.898 -1.820 -4.186 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.671 -1.273 -2.782 1.00 0.20 C ATOM 738 CG2 VAL A 45 -5.873 -2.897 -4.504 1.00 0.23 C ATOM 0 H VAL A 45 -8.097 -2.275 -6.434 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.413 -3.257 -3.703 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.779 -0.995 -4.889 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.655 -0.886 -2.702 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.382 -0.470 -2.585 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.814 -2.071 -2.053 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.869 -2.490 -4.387 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.005 -3.738 -3.823 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.009 -3.237 -5.531 1.00 0.23 H new ATOM 748 N LYS A 46 -9.779 -0.517 -4.872 1.00 0.15 N ATOM 749 CA LYS A 46 -10.843 0.447 -4.641 1.00 0.15 C ATOM 750 C LYS A 46 -12.152 -0.292 -4.377 1.00 0.17 C ATOM 751 O LYS A 46 -12.999 0.160 -3.607 1.00 0.20 O ATOM 752 CB LYS A 46 -10.986 1.353 -5.864 1.00 0.17 C ATOM 753 CG LYS A 46 -11.835 2.591 -5.634 1.00 0.20 C ATOM 754 CD LYS A 46 -11.899 3.433 -6.895 1.00 0.27 C ATOM 755 CE LYS A 46 -12.601 4.758 -6.658 1.00 0.37 C ATOM 756 NZ LYS A 46 -12.746 5.529 -7.918 1.00 1.36 N ATOM 0 H LYS A 46 -9.395 -0.499 -5.817 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.600 1.060 -3.773 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.993 1.664 -6.188 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.421 0.775 -6.679 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.841 2.299 -5.333 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.417 3.180 -4.817 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.888 3.618 -7.259 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.422 2.880 -7.675 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.585 4.577 -6.225 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.037 5.345 -5.933 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -13.229 6.428 -7.721 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -11.805 5.722 -8.317 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -13.305 4.978 -8.600 1.00 1.36 H new ATOM 770 N ALA A 47 -12.284 -1.455 -5.010 1.00 0.18 N ATOM 771 CA ALA A 47 -13.474 -2.287 -4.887 1.00 0.22 C ATOM 772 C ALA A 47 -13.652 -2.818 -3.467 1.00 0.22 C ATOM 773 O ALA A 47 -14.747 -3.224 -3.084 1.00 0.27 O ATOM 774 CB ALA A 47 -13.412 -3.444 -5.874 1.00 0.26 C ATOM 0 H ALA A 47 -11.568 -1.846 -5.622 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.337 -1.662 -5.117 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.307 -4.058 -5.772 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.354 -3.053 -6.890 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.530 -4.051 -5.668 1.00 0.26 H new ATOM 780 N ILE A 48 -12.577 -2.812 -2.687 1.00 0.20 N ATOM 781 CA ILE A 48 -12.643 -3.250 -1.299 1.00 0.21 C ATOM 782 C ILE A 48 -13.512 -2.289 -0.495 1.00 0.21 C ATOM 783 O ILE A 48 -14.233 -2.693 0.420 1.00 0.23 O ATOM 784 CB ILE A 48 -11.238 -3.338 -0.660 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.327 -4.212 -1.526 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.332 -3.906 0.750 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.888 -4.225 -1.071 1.00 0.21 C ATOM 0 H ILE A 48 -11.652 -2.509 -2.992 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.082 -4.248 -1.285 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.814 -2.336 -0.600 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.709 -5.233 -1.524 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.370 -3.858 -2.556 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.335 -3.962 1.187 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -11.961 -3.259 1.362 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.768 -4.904 0.712 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.303 -4.865 -1.732 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.488 -3.211 -1.100 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.832 -4.608 -0.052 1.00 0.21 H new ATOM 799 N CYS A 49 -13.469 -1.023 -0.878 1.00 0.20 N ATOM 800 CA CYS A 49 -14.206 0.010 -0.177 1.00 0.21 C ATOM 801 C CYS A 49 -15.505 0.349 -0.897 1.00 0.25 C ATOM 802 O CYS A 49 -16.201 1.297 -0.531 1.00 0.25 O ATOM 803 CB CYS A 49 -13.327 1.248 -0.047 1.00 0.19 C ATOM 804 SG CYS A 49 -11.811 0.944 0.907 1.00 0.18 S ATOM 0 H CYS A 49 -12.928 -0.687 -1.675 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.471 -0.357 0.815 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -13.059 1.603 -1.042 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.898 2.044 0.432 1.00 0.19 H new ATOM 809 N LYS A 50 -15.832 -0.436 -1.915 1.00 0.32 N ATOM 810 CA LYS A 50 -17.036 -0.215 -2.701 1.00 0.40 C ATOM 811 C LYS A 50 -18.280 -0.350 -1.833 1.00 0.39 C ATOM 812 O LYS A 50 -18.594 -1.430 -1.333 1.00 0.47 O ATOM 813 CB LYS A 50 -17.091 -1.185 -3.884 1.00 0.54 C ATOM 814 CG LYS A 50 -18.264 -0.937 -4.821 1.00 0.68 C ATOM 815 CD LYS A 50 -18.129 -1.716 -6.121 1.00 0.92 C ATOM 816 CE LYS A 50 -18.200 -3.220 -5.905 1.00 1.58 C ATOM 817 NZ LYS A 50 -19.522 -3.650 -5.384 1.00 2.33 N ATOM 0 H LYS A 50 -15.276 -1.236 -2.216 1.00 0.32 H new ATOM 0 HA LYS A 50 -17.007 0.801 -3.093 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.162 -1.108 -4.450 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.149 -2.205 -3.504 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.192 -1.220 -4.323 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.333 0.128 -5.042 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -18.920 -1.412 -6.807 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -17.181 -1.464 -6.596 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -17.999 -3.730 -6.847 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -17.420 -3.522 -5.206 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -19.592 -4.687 -5.428 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -19.625 -3.337 -4.398 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -20.277 -3.228 -5.962 1.00 2.33 H new ATOM 831 N GLY A 51 -18.971 0.760 -1.649 1.00 0.36 N ATOM 832 CA GLY A 51 -20.177 0.760 -0.851 1.00 0.38 C ATOM 833 C GLY A 51 -19.953 1.321 0.538 1.00 0.37 C ATOM 834 O GLY A 51 -20.899 1.477 1.308 1.00 0.44 O ATOM 0 H GLY A 51 -18.717 1.667 -2.040 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.944 1.347 -1.357 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.556 -0.259 -0.771 1.00 0.38 H new ATOM 838 N ILE A 52 -18.704 1.633 0.864 1.00 0.31 N ATOM 839 CA ILE A 52 -18.374 2.156 2.181 1.00 0.29 C ATOM 840 C ILE A 52 -18.176 3.665 2.110 1.00 0.29 C ATOM 841 O ILE A 52 -17.093 4.146 1.773 1.00 0.27 O ATOM 842 CB ILE A 52 -17.092 1.510 2.755 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.100 -0.008 2.542 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.950 1.838 4.236 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.281 -0.719 3.171 1.00 0.33 C ATOM 0 H ILE A 52 -17.907 1.533 0.236 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.207 1.914 2.841 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.236 1.923 2.221 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.095 -0.213 1.471 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.180 -0.425 2.951 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.043 1.376 4.626 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.891 2.919 4.365 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.814 1.454 4.778 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.209 -1.788 2.973 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.277 -0.548 4.248 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.207 -0.333 2.745 1.00 0.33 H new ATOM 857 N ILE A 53 -19.233 4.408 2.393 1.00 0.33 N ATOM 858 CA ILE A 53 -19.189 5.856 2.321 1.00 0.35 C ATOM 859 C ILE A 53 -18.598 6.458 3.594 1.00 0.34 C ATOM 860 O ILE A 53 -17.736 7.333 3.529 1.00 0.35 O ATOM 861 CB ILE A 53 -20.595 6.442 2.056 1.00 0.40 C ATOM 862 CG1 ILE A 53 -21.016 6.217 0.597 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.633 7.927 2.386 1.00 0.42 C ATOM 864 CD1 ILE A 53 -21.119 4.767 0.173 1.00 0.55 C ATOM 0 H ILE A 53 -20.136 4.028 2.676 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.540 6.120 1.486 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.300 5.922 2.705 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.982 6.696 0.436 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -20.299 6.719 -0.053 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.632 8.317 2.192 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.385 8.073 3.437 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.910 8.456 1.766 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.422 4.714 -0.873 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -20.150 4.283 0.295 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.859 4.259 0.791 1.00 0.55 H new ATOM 876 N ALA A 54 -19.051 5.987 4.743 1.00 0.37 N ATOM 877 CA ALA A 54 -18.551 6.489 6.016 1.00 0.38 C ATOM 878 C ALA A 54 -17.167 5.932 6.300 1.00 0.33 C ATOM 879 O ALA A 54 -16.918 4.754 6.063 1.00 0.32 O ATOM 880 CB ALA A 54 -19.501 6.123 7.142 1.00 0.46 C ATOM 0 H ALA A 54 -19.762 5.260 4.823 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.485 7.575 5.953 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.112 6.506 8.085 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.480 6.561 6.949 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.594 5.039 7.201 1.00 0.46 H new ATOM 886 N SER A 55 -16.273 6.794 6.779 1.00 0.34 N ATOM 887 CA SER A 55 -14.915 6.396 7.133 1.00 0.34 C ATOM 888 C SER A 55 -14.936 5.189 8.073 1.00 0.32 C ATOM 889 O SER A 55 -15.257 5.315 9.257 1.00 0.36 O ATOM 890 CB SER A 55 -14.172 7.569 7.782 1.00 0.41 C ATOM 891 OG SER A 55 -12.780 7.318 7.869 1.00 1.42 O ATOM 0 H SER A 55 -16.469 7.783 6.932 1.00 0.34 H new ATOM 0 HA SER A 55 -14.388 6.111 6.222 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.344 8.476 7.202 1.00 0.41 H new ATOM 0 HB3 SER A 55 -14.573 7.748 8.779 1.00 0.41 H new ATOM 0 HG SER A 55 -12.335 8.085 8.286 1.00 1.42 H new ATOM 897 N LYS A 56 -14.625 4.022 7.532 1.00 0.30 N ATOM 898 CA LYS A 56 -14.677 2.787 8.294 1.00 0.31 C ATOM 899 C LYS A 56 -13.490 1.897 7.953 1.00 0.29 C ATOM 900 O LYS A 56 -13.165 1.705 6.782 1.00 0.27 O ATOM 901 CB LYS A 56 -15.989 2.058 7.990 1.00 0.34 C ATOM 902 CG LYS A 56 -16.118 0.696 8.651 1.00 0.40 C ATOM 903 CD LYS A 56 -17.439 0.033 8.297 1.00 0.51 C ATOM 904 CE LYS A 56 -17.538 -1.358 8.898 1.00 0.94 C ATOM 905 NZ LYS A 56 -18.865 -1.980 8.646 1.00 1.71 N ATOM 0 H LYS A 56 -14.332 3.905 6.562 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.631 3.023 9.357 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.821 2.684 8.311 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -16.080 1.935 6.911 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.292 0.057 8.337 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.042 0.806 9.733 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.264 0.647 8.658 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.538 -0.029 7.213 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -16.756 -1.991 8.479 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -17.362 -1.302 9.972 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -18.891 -2.928 9.073 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -19.611 -1.390 9.068 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -19.023 -2.057 7.621 1.00 1.71 H new ATOM 919 N ASN A 57 -12.833 1.381 8.981 1.00 0.36 N ATOM 920 CA ASN A 57 -11.733 0.443 8.793 1.00 0.37 C ATOM 921 C ASN A 57 -12.278 -0.920 8.404 1.00 0.33 C ATOM 922 O ASN A 57 -13.058 -1.520 9.147 1.00 0.41 O ATOM 923 CB ASN A 57 -10.902 0.304 10.069 1.00 0.50 C ATOM 924 CG ASN A 57 -10.185 1.578 10.458 1.00 0.80 C ATOM 925 OD1 ASN A 57 -9.819 2.390 9.609 1.00 1.49 O ATOM 926 ND2 ASN A 57 -9.981 1.756 11.752 1.00 1.13 N ATOM 0 H ASN A 57 -13.042 1.596 9.956 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.094 0.830 8.000 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.554 -0.002 10.887 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.168 -0.490 9.932 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -9.502 2.594 12.082 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -10.302 1.055 12.420 1.00 1.13 H new ATOM 933 N VAL A 58 -11.889 -1.404 7.239 1.00 0.28 N ATOM 934 CA VAL A 58 -12.326 -2.714 6.797 1.00 0.27 C ATOM 935 C VAL A 58 -11.126 -3.613 6.511 1.00 0.25 C ATOM 936 O VAL A 58 -10.131 -3.184 5.921 1.00 0.25 O ATOM 937 CB VAL A 58 -13.238 -2.639 5.547 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.375 -1.651 5.758 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.440 -2.287 4.305 1.00 0.57 C ATOM 0 H VAL A 58 -11.276 -0.914 6.587 1.00 0.28 H new ATOM 0 HA VAL A 58 -12.914 -3.142 7.609 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.673 -3.627 5.396 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -14.999 -1.619 4.865 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -14.977 -1.966 6.610 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.965 -0.660 5.950 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.107 -2.242 3.444 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.960 -1.318 4.443 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.679 -3.048 4.134 1.00 0.57 H new ATOM 949 N LEU A 59 -11.215 -4.846 6.969 1.00 0.28 N ATOM 950 CA LEU A 59 -10.178 -5.833 6.744 1.00 0.26 C ATOM 951 C LEU A 59 -10.562 -6.683 5.538 1.00 0.26 C ATOM 952 O LEU A 59 -11.715 -7.097 5.409 1.00 0.30 O ATOM 953 CB LEU A 59 -10.022 -6.679 8.015 1.00 0.30 C ATOM 954 CG LEU A 59 -8.784 -7.575 8.105 1.00 0.34 C ATOM 955 CD1 LEU A 59 -8.995 -8.882 7.371 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.563 -6.848 7.574 1.00 0.67 C ATOM 0 H LEU A 59 -12.009 -5.192 7.508 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.220 -5.360 6.531 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.016 -6.005 8.872 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -10.905 -7.310 8.112 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.616 -7.811 9.156 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.098 -9.495 7.454 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -9.839 -9.413 7.810 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.200 -8.680 6.320 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.692 -7.499 7.645 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.727 -6.575 6.532 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.391 -5.947 8.163 1.00 0.67 H new ATOM 968 N THR A 60 -9.608 -6.928 4.655 1.00 0.22 N ATOM 969 CA THR A 60 -9.898 -7.601 3.398 1.00 0.22 C ATOM 970 C THR A 60 -10.214 -9.073 3.609 1.00 0.24 C ATOM 971 O THR A 60 -9.622 -9.741 4.453 1.00 0.33 O ATOM 972 CB THR A 60 -8.743 -7.460 2.384 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.522 -7.952 2.945 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.559 -6.012 1.966 1.00 0.24 C ATOM 0 H THR A 60 -8.629 -6.672 4.784 1.00 0.22 H new ATOM 0 HA THR A 60 -10.779 -7.108 2.986 1.00 0.22 H new ATOM 0 HB THR A 60 -9.000 -8.050 1.504 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.299 -8.815 2.537 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.739 -5.941 1.251 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.476 -5.648 1.503 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.330 -5.407 2.843 1.00 0.24 H new ATOM 982 N THR A 61 -11.152 -9.564 2.823 1.00 0.27 N ATOM 983 CA THR A 61 -11.607 -10.938 2.905 1.00 0.33 C ATOM 984 C THR A 61 -10.555 -11.906 2.374 1.00 0.33 C ATOM 985 O THR A 61 -10.536 -13.087 2.720 1.00 0.43 O ATOM 986 CB THR A 61 -12.895 -11.085 2.088 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.723 -10.451 0.810 1.00 0.48 O ATOM 988 CG2 THR A 61 -14.067 -10.443 2.811 1.00 0.46 C ATOM 0 H THR A 61 -11.624 -9.016 2.104 1.00 0.27 H new ATOM 0 HA THR A 61 -11.789 -11.180 3.952 1.00 0.33 H new ATOM 0 HB THR A 61 -13.104 -12.147 1.956 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.545 -10.545 0.285 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.971 -10.559 2.213 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.207 -10.926 3.778 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.865 -9.382 2.961 1.00 0.46 H new ATOM 996 N SER A 62 -9.667 -11.379 1.556 1.00 0.28 N ATOM 997 CA SER A 62 -8.678 -12.186 0.871 1.00 0.31 C ATOM 998 C SER A 62 -7.289 -11.594 1.073 1.00 0.26 C ATOM 999 O SER A 62 -7.151 -10.403 1.377 1.00 0.24 O ATOM 1000 CB SER A 62 -9.012 -12.256 -0.622 1.00 0.41 C ATOM 1001 OG SER A 62 -10.357 -12.670 -0.827 1.00 1.09 O ATOM 0 H SER A 62 -9.610 -10.382 1.348 1.00 0.28 H new ATOM 0 HA SER A 62 -8.690 -13.194 1.285 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.855 -11.279 -1.079 1.00 0.41 H new ATOM 0 HB3 SER A 62 -8.335 -12.952 -1.117 1.00 0.41 H new ATOM 0 HG SER A 62 -10.546 -12.705 -1.788 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.270 -12.426 0.927 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.898 -11.981 1.057 1.00 0.23 C ATOM 1009 C GLU A 63 -4.395 -11.471 -0.283 1.00 0.24 C ATOM 1010 O GLU A 63 -4.568 -12.125 -1.311 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.982 -13.108 1.556 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.477 -13.834 2.803 1.00 0.34 C ATOM 1013 CD GLU A 63 -5.633 -14.775 2.531 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -5.389 -15.911 2.083 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -6.792 -14.385 2.769 1.00 2.06 O ATOM 0 H GLU A 63 -6.372 -13.419 0.717 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.875 -11.178 1.793 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.857 -13.836 0.755 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.997 -12.691 1.764 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.652 -14.399 3.237 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -4.784 -13.098 3.545 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.784 -10.306 -0.268 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.243 -9.721 -1.477 1.00 0.17 C ATOM 1024 C PHE A 64 -1.734 -9.865 -1.492 1.00 0.16 C ATOM 1025 O PHE A 64 -1.120 -10.173 -0.468 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.633 -8.247 -1.590 1.00 0.19 C ATOM 1027 CG PHE A 64 -5.088 -8.027 -1.906 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -6.057 -8.163 -0.924 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.487 -7.686 -3.189 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.393 -7.962 -1.214 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.822 -7.484 -3.484 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.776 -7.623 -2.497 1.00 0.28 C ATOM 0 H PHE A 64 -3.649 -9.743 0.572 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.661 -10.251 -2.333 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.394 -7.745 -0.653 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -3.027 -7.779 -2.366 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.764 -8.430 0.081 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.746 -7.577 -3.967 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.137 -8.070 -0.438 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -7.119 -7.217 -4.488 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.820 -7.467 -2.727 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.140 -9.648 -2.649 1.00 0.17 N ATOM 1043 CA TYR A 65 0.295 -9.790 -2.798 1.00 0.16 C ATOM 1044 C TYR A 65 0.986 -8.517 -2.342 1.00 0.16 C ATOM 1045 O TYR A 65 1.031 -7.527 -3.067 1.00 0.18 O ATOM 1046 CB TYR A 65 0.648 -10.108 -4.249 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.057 -11.334 -4.775 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.314 -12.601 -4.353 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.101 -11.221 -5.686 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.332 -13.724 -4.824 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.752 -12.342 -6.162 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.363 -13.590 -5.729 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.006 -14.713 -6.202 1.00 0.66 O ATOM 0 H TYR A 65 -1.629 -9.372 -3.500 1.00 0.17 H new ATOM 0 HA TYR A 65 0.640 -10.617 -2.177 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.392 -9.253 -4.875 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.725 -10.252 -4.331 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.122 -12.710 -3.644 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.407 -10.243 -6.026 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.032 -14.705 -4.485 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.561 -12.241 -6.870 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.709 -14.447 -6.831 1.00 0.66 H new ATOM 1063 N LEU A 66 1.499 -8.538 -1.131 1.00 0.15 N ATOM 1064 CA LEU A 66 2.078 -7.350 -0.541 1.00 0.16 C ATOM 1065 C LEU A 66 3.594 -7.382 -0.632 1.00 0.16 C ATOM 1066 O LEU A 66 4.221 -8.437 -0.483 1.00 0.20 O ATOM 1067 CB LEU A 66 1.639 -7.224 0.914 1.00 0.18 C ATOM 1068 CG LEU A 66 0.126 -7.266 1.123 1.00 0.19 C ATOM 1069 CD1 LEU A 66 -0.213 -7.186 2.599 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.557 -6.142 0.358 1.00 0.19 C ATOM 0 H LEU A 66 1.527 -9.365 -0.535 1.00 0.15 H new ATOM 0 HA LEU A 66 1.724 -6.482 -1.097 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.095 -8.029 1.489 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.023 -6.287 1.317 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.243 -8.216 0.736 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.295 -7.217 2.726 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.238 -8.029 3.122 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.174 -6.254 3.011 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.633 -6.192 0.522 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.181 -5.181 0.710 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.347 -6.246 -0.706 1.00 0.19 H new ATOM 1082 N SER A 67 4.174 -6.230 -0.895 1.00 0.17 N ATOM 1083 CA SER A 67 5.614 -6.093 -0.927 1.00 0.18 C ATOM 1084 C SER A 67 6.025 -4.926 -0.043 1.00 0.22 C ATOM 1085 O SER A 67 5.795 -3.767 -0.378 1.00 0.26 O ATOM 1086 CB SER A 67 6.084 -5.866 -2.365 1.00 0.22 C ATOM 1087 OG SER A 67 5.711 -6.950 -3.204 1.00 0.29 O ATOM 0 H SER A 67 3.665 -5.368 -1.091 1.00 0.17 H new ATOM 0 HA SER A 67 6.078 -7.006 -0.553 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.654 -4.941 -2.749 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.167 -5.746 -2.382 1.00 0.22 H new ATOM 0 HG SER A 67 6.485 -7.236 -3.733 1.00 0.29 H new ATOM 1093 N ASP A 68 6.635 -5.237 1.084 1.00 0.26 N ATOM 1094 CA ASP A 68 6.964 -4.221 2.067 1.00 0.34 C ATOM 1095 C ASP A 68 8.426 -3.829 1.974 1.00 0.29 C ATOM 1096 O ASP A 68 9.316 -4.651 2.188 1.00 0.34 O ATOM 1097 CB ASP A 68 6.638 -4.729 3.469 1.00 0.46 C ATOM 1098 CG ASP A 68 7.022 -3.748 4.556 1.00 1.12 C ATOM 1099 OD1 ASP A 68 6.610 -2.573 4.470 1.00 1.12 O ATOM 1100 OD2 ASP A 68 7.706 -4.166 5.517 1.00 2.01 O ATOM 0 H ASP A 68 6.913 -6.184 1.342 1.00 0.26 H new ATOM 0 HA ASP A 68 6.364 -3.334 1.861 1.00 0.34 H new ATOM 0 HB2 ASP A 68 5.570 -4.937 3.535 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.158 -5.672 3.638 1.00 0.46 H new ATOM 1105 N CYS A 69 8.669 -2.579 1.636 1.00 0.28 N ATOM 1106 CA CYS A 69 10.022 -2.074 1.534 1.00 0.26 C ATOM 1107 C CYS A 69 10.457 -1.504 2.872 1.00 0.30 C ATOM 1108 O CYS A 69 9.852 -0.560 3.376 1.00 0.35 O ATOM 1109 CB CYS A 69 10.087 -0.998 0.455 1.00 0.25 C ATOM 1110 SG CYS A 69 9.597 -1.586 -1.195 1.00 0.62 S ATOM 0 H CYS A 69 7.944 -1.893 1.427 1.00 0.28 H new ATOM 0 HA CYS A 69 10.695 -2.888 1.262 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.441 -0.169 0.742 1.00 0.25 H new ATOM 0 HB3 CYS A 69 11.103 -0.607 0.405 1.00 0.25 H new ATOM 1115 N ASN A 70 11.504 -2.073 3.441 1.00 0.35 N ATOM 1116 CA ASN A 70 11.963 -1.672 4.764 1.00 0.42 C ATOM 1117 C ASN A 70 13.435 -1.299 4.747 1.00 0.44 C ATOM 1118 O ASN A 70 14.237 -1.906 4.033 1.00 0.49 O ATOM 1119 CB ASN A 70 11.700 -2.790 5.783 1.00 0.51 C ATOM 1120 CG ASN A 70 12.282 -4.130 5.364 1.00 0.97 C ATOM 1121 OD1 ASN A 70 13.427 -4.449 5.677 1.00 1.93 O ATOM 1122 ND2 ASN A 70 11.489 -4.930 4.663 1.00 1.08 N ATOM 0 H ASN A 70 12.055 -2.815 3.010 1.00 0.35 H new ATOM 0 HA ASN A 70 11.400 -0.788 5.062 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.123 -2.502 6.746 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.625 -2.897 5.926 1.00 0.51 H new ATOM 0 HD21 ASN A 70 11.824 -5.846 4.364 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.544 -4.629 4.423 1.00 1.08 H new ATOM 1129 N VAL A 71 13.766 -0.273 5.518 1.00 0.47 N ATOM 1130 CA VAL A 71 15.129 0.226 5.611 1.00 0.51 C ATOM 1131 C VAL A 71 16.045 -0.813 6.265 1.00 0.56 C ATOM 1132 O VAL A 71 15.673 -1.450 7.257 1.00 0.60 O ATOM 1133 CB VAL A 71 15.157 1.562 6.396 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.721 1.370 7.841 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.527 2.214 6.326 1.00 0.82 C ATOM 0 H VAL A 71 13.097 0.236 6.096 1.00 0.47 H new ATOM 0 HA VAL A 71 15.501 0.411 4.603 1.00 0.51 H new ATOM 0 HB VAL A 71 14.441 2.232 5.920 1.00 0.54 H new ATOM 0 HG11 VAL A 71 14.753 2.327 8.361 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.704 0.978 7.865 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.393 0.667 8.333 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.514 3.149 6.886 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.271 1.544 6.756 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.780 2.418 5.286 1.00 0.82 H new ATOM 1145 N THR A 72 17.228 -1.007 5.690 1.00 0.58 N ATOM 1146 CA THR A 72 18.145 -2.026 6.177 1.00 0.64 C ATOM 1147 C THR A 72 19.208 -1.444 7.112 1.00 0.75 C ATOM 1148 O THR A 72 18.950 -1.226 8.297 1.00 0.93 O ATOM 1149 CB THR A 72 18.819 -2.781 5.009 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.442 -1.858 4.100 1.00 0.78 O ATOM 1151 CG2 THR A 72 17.802 -3.623 4.255 1.00 0.78 C ATOM 0 H THR A 72 17.571 -0.474 4.891 1.00 0.58 H new ATOM 0 HA THR A 72 17.547 -2.734 6.751 1.00 0.64 H new ATOM 0 HB THR A 72 19.581 -3.436 5.432 1.00 0.71 H new ATOM 0 HG1 THR A 72 19.865 -2.354 3.368 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.297 -4.146 3.437 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.357 -4.350 4.934 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.022 -2.977 3.853 1.00 0.78 H new ATOM 1159 N SER A 73 20.398 -1.198 6.576 1.00 0.86 N ATOM 1160 CA SER A 73 21.508 -0.691 7.372 1.00 1.02 C ATOM 1161 C SER A 73 21.768 0.783 7.086 1.00 0.90 C ATOM 1162 O SER A 73 22.296 1.506 7.929 1.00 0.99 O ATOM 1163 CB SER A 73 22.765 -1.502 7.092 1.00 1.33 C ATOM 1164 OG SER A 73 22.522 -2.884 7.270 1.00 1.87 O ATOM 0 H SER A 73 20.619 -1.342 5.591 1.00 0.86 H new ATOM 0 HA SER A 73 21.239 -0.790 8.424 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.103 -1.316 6.073 1.00 1.33 H new ATOM 0 HB3 SER A 73 23.566 -1.181 7.757 1.00 1.33 H new ATOM 0 HG SER A 73 23.342 -3.387 7.083 1.00 1.87 H new ATOM 1170 N ARG A 74 21.399 1.221 5.894 1.00 0.81 N ATOM 1171 CA ARG A 74 21.629 2.584 5.482 1.00 0.76 C ATOM 1172 C ARG A 74 20.301 3.307 5.321 1.00 0.68 C ATOM 1173 O ARG A 74 19.379 2.773 4.705 1.00 0.63 O ATOM 1174 CB ARG A 74 22.400 2.608 4.161 1.00 0.88 C ATOM 1175 CG ARG A 74 22.354 3.960 3.488 1.00 1.40 C ATOM 1176 CD ARG A 74 22.861 3.909 2.057 1.00 1.55 C ATOM 1177 NE ARG A 74 22.741 5.213 1.407 1.00 2.35 N ATOM 1178 CZ ARG A 74 21.872 5.486 0.434 1.00 2.74 C ATOM 1179 NH1 ARG A 74 21.060 4.541 -0.025 1.00 2.41 N ATOM 1180 NH2 ARG A 74 21.816 6.705 -0.081 1.00 3.76 N ATOM 0 H ARG A 74 20.935 0.642 5.194 1.00 0.81 H new ATOM 0 HA ARG A 74 22.219 3.091 6.245 1.00 0.76 H new ATOM 0 HB2 ARG A 74 23.438 2.333 4.345 1.00 0.88 H new ATOM 0 HB3 ARG A 74 21.986 1.857 3.489 1.00 0.88 H new ATOM 0 HG2 ARG A 74 21.330 4.332 3.495 1.00 1.40 H new ATOM 0 HG3 ARG A 74 22.955 4.668 4.059 1.00 1.40 H new ATOM 0 HD2 ARG A 74 23.903 3.590 2.049 1.00 1.55 H new ATOM 0 HD3 ARG A 74 22.296 3.166 1.494 1.00 1.55 H new ATOM 0 HE ARG A 74 23.361 5.961 1.718 1.00 2.35 H new ATOM 0 HH11 ARG A 74 21.099 3.600 0.367 1.00 2.41 H new ATOM 0 HH12 ARG A 74 20.397 4.756 -0.770 1.00 2.41 H new ATOM 0 HH21 ARG A 74 22.438 7.435 0.267 1.00 3.76 H new ATOM 0 HH22 ARG A 74 21.151 6.914 -0.826 1.00 3.76 H new ATOM 1194 N PRO A 75 20.179 4.516 5.883 1.00 0.74 N ATOM 1195 CA PRO A 75 18.988 5.344 5.702 1.00 0.74 C ATOM 1196 C PRO A 75 18.674 5.557 4.224 1.00 0.65 C ATOM 1197 O PRO A 75 19.551 5.941 3.445 1.00 0.70 O ATOM 1198 CB PRO A 75 19.365 6.668 6.369 1.00 0.92 C ATOM 1199 CG PRO A 75 20.411 6.304 7.363 1.00 1.05 C ATOM 1200 CD PRO A 75 21.179 5.165 6.753 1.00 0.92 C ATOM 0 HA PRO A 75 18.095 4.886 6.128 1.00 0.74 H new ATOM 0 HB2 PRO A 75 19.743 7.385 5.640 1.00 0.92 H new ATOM 0 HB3 PRO A 75 18.503 7.128 6.852 1.00 0.92 H new ATOM 0 HG2 PRO A 75 21.066 7.151 7.569 1.00 1.05 H new ATOM 0 HG3 PRO A 75 19.963 6.009 8.312 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.040 5.518 6.185 1.00 0.92 H new ATOM 0 HD3 PRO A 75 21.557 4.481 7.513 1.00 0.92 H new ATOM 1208 N CYS A 76 17.427 5.282 3.855 1.00 0.57 N ATOM 1209 CA CYS A 76 16.954 5.398 2.474 1.00 0.52 C ATOM 1210 C CYS A 76 17.487 4.250 1.599 1.00 0.51 C ATOM 1211 O CYS A 76 17.417 4.303 0.369 1.00 0.55 O ATOM 1212 CB CYS A 76 17.323 6.767 1.881 1.00 0.58 C ATOM 1213 SG CYS A 76 16.429 7.194 0.354 1.00 1.55 S ATOM 0 H CYS A 76 16.709 4.970 4.508 1.00 0.57 H new ATOM 0 HA CYS A 76 15.867 5.320 2.488 1.00 0.52 H new ATOM 0 HB2 CYS A 76 17.129 7.537 2.628 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.394 6.784 1.677 1.00 0.58 H new ATOM 1218 N LYS A 77 18.015 3.208 2.235 1.00 0.50 N ATOM 1219 CA LYS A 77 18.333 1.967 1.538 1.00 0.50 C ATOM 1220 C LYS A 77 17.402 0.878 2.046 1.00 0.47 C ATOM 1221 O LYS A 77 17.241 0.713 3.255 1.00 0.51 O ATOM 1222 CB LYS A 77 19.791 1.552 1.753 1.00 0.60 C ATOM 1223 CG LYS A 77 20.185 0.331 0.935 1.00 1.30 C ATOM 1224 CD LYS A 77 21.556 -0.199 1.317 1.00 1.57 C ATOM 1225 CE LYS A 77 21.958 -1.368 0.427 1.00 2.24 C ATOM 1226 NZ LYS A 77 23.248 -1.976 0.847 1.00 2.60 N ATOM 0 H LYS A 77 18.231 3.199 3.232 1.00 0.50 H new ATOM 0 HA LYS A 77 18.196 2.120 0.468 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.443 2.385 1.491 1.00 0.60 H new ATOM 0 HB3 LYS A 77 19.952 1.342 2.810 1.00 0.60 H new ATOM 0 HG2 LYS A 77 19.442 -0.454 1.076 1.00 1.30 H new ATOM 0 HG3 LYS A 77 20.179 0.588 -0.124 1.00 1.30 H new ATOM 0 HD2 LYS A 77 22.294 0.598 1.232 1.00 1.57 H new ATOM 0 HD3 LYS A 77 21.549 -0.517 2.360 1.00 1.57 H new ATOM 0 HE2 LYS A 77 21.176 -2.127 0.451 1.00 2.24 H new ATOM 0 HE3 LYS A 77 22.038 -1.026 -0.605 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 23.482 -2.767 0.213 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 24.001 -1.260 0.799 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 23.165 -2.327 1.823 1.00 2.60 H new ATOM 1240 N TYR A 78 16.786 0.137 1.138 1.00 0.45 N ATOM 1241 CA TYR A 78 15.720 -0.772 1.524 1.00 0.47 C ATOM 1242 C TYR A 78 15.917 -2.167 0.965 1.00 0.52 C ATOM 1243 O TYR A 78 16.655 -2.375 -0.001 1.00 0.59 O ATOM 1244 CB TYR A 78 14.373 -0.244 1.034 1.00 0.48 C ATOM 1245 CG TYR A 78 14.086 1.168 1.464 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.444 1.427 2.665 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.460 2.242 0.672 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.179 2.716 3.064 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.198 3.536 1.063 1.00 0.99 C ATOM 1250 CZ TYR A 78 13.558 3.769 2.249 1.00 1.17 C ATOM 1251 OH TYR A 78 13.310 5.047 2.659 1.00 1.44 O ATOM 0 H TYR A 78 17.003 0.146 0.141 1.00 0.45 H new ATOM 0 HA TYR A 78 15.741 -0.830 2.612 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.346 -0.296 -0.054 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.581 -0.895 1.404 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.147 0.603 3.297 1.00 0.91 H new ATOM 0 HD2 TYR A 78 14.964 2.061 -0.266 1.00 0.74 H new ATOM 0 HE1 TYR A 78 12.680 2.905 4.003 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.497 4.363 0.436 1.00 0.99 H new ATOM 0 HH TYR A 78 13.330 5.086 3.638 1.00 1.44 H new ATOM 1261 N LYS A 79 15.241 -3.113 1.592 1.00 0.53 N ATOM 1262 CA LYS A 79 15.104 -4.451 1.058 1.00 0.58 C ATOM 1263 C LYS A 79 13.636 -4.849 1.150 1.00 0.46 C ATOM 1264 O LYS A 79 12.871 -4.236 1.896 1.00 0.47 O ATOM 1265 CB LYS A 79 16.007 -5.441 1.803 1.00 0.78 C ATOM 1266 CG LYS A 79 16.096 -6.815 1.147 1.00 1.39 C ATOM 1267 CD LYS A 79 16.304 -6.713 -0.361 1.00 2.02 C ATOM 1268 CE LYS A 79 17.557 -5.928 -0.717 1.00 2.63 C ATOM 1269 NZ LYS A 79 17.651 -5.659 -2.180 1.00 3.52 N ATOM 0 H LYS A 79 14.772 -2.972 2.487 1.00 0.53 H new ATOM 0 HA LYS A 79 15.423 -4.471 0.016 1.00 0.58 H new ATOM 0 HB2 LYS A 79 17.009 -5.019 1.875 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.637 -5.559 2.821 1.00 0.78 H new ATOM 0 HG2 LYS A 79 16.919 -7.376 1.590 1.00 1.39 H new ATOM 0 HG3 LYS A 79 15.183 -7.374 1.351 1.00 1.39 H new ATOM 0 HD2 LYS A 79 16.372 -7.715 -0.785 1.00 2.02 H new ATOM 0 HD3 LYS A 79 15.436 -6.234 -0.814 1.00 2.02 H new ATOM 0 HE2 LYS A 79 17.559 -4.983 -0.174 1.00 2.63 H new ATOM 0 HE3 LYS A 79 18.437 -6.484 -0.393 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 18.519 -5.122 -2.379 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 17.675 -6.561 -2.698 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 16.825 -5.106 -2.485 1.00 3.52 H new ATOM 1283 N LEU A 80 13.244 -5.849 0.386 1.00 0.45 N ATOM 1284 CA LEU A 80 11.846 -6.201 0.248 1.00 0.41 C ATOM 1285 C LEU A 80 11.391 -7.245 1.247 1.00 0.42 C ATOM 1286 O LEU A 80 12.180 -8.040 1.761 1.00 0.49 O ATOM 1287 CB LEU A 80 11.586 -6.705 -1.163 1.00 0.50 C ATOM 1288 CG LEU A 80 11.245 -5.622 -2.163 1.00 0.58 C ATOM 1289 CD1 LEU A 80 11.751 -5.998 -3.542 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.745 -5.386 -2.193 1.00 0.74 C ATOM 0 H LEU A 80 13.881 -6.436 -0.153 1.00 0.45 H new ATOM 0 HA LEU A 80 11.272 -5.297 0.449 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.469 -7.240 -1.513 1.00 0.50 H new ATOM 0 HB3 LEU A 80 10.768 -7.425 -1.133 1.00 0.50 H new ATOM 0 HG LEU A 80 11.735 -4.698 -1.856 1.00 0.58 H new ATOM 0 HD11 LEU A 80 11.498 -5.209 -4.250 1.00 1.34 H new ATOM 0 HD12 LEU A 80 12.833 -6.124 -3.511 1.00 1.34 H new ATOM 0 HD13 LEU A 80 11.286 -6.932 -3.858 1.00 1.34 H new ATOM 0 HD21 LEU A 80 9.514 -4.604 -2.917 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.237 -6.307 -2.479 1.00 0.74 H new ATOM 0 HD23 LEU A 80 9.405 -5.077 -1.204 1.00 0.74 H new ATOM 1302 N LYS A 81 10.101 -7.206 1.514 1.00 0.40 N ATOM 1303 CA LYS A 81 9.421 -8.243 2.259 1.00 0.44 C ATOM 1304 C LYS A 81 8.206 -8.677 1.455 1.00 0.38 C ATOM 1305 O LYS A 81 7.196 -7.976 1.405 1.00 0.36 O ATOM 1306 CB LYS A 81 8.994 -7.725 3.635 1.00 0.49 C ATOM 1307 CG LYS A 81 8.364 -8.783 4.529 1.00 0.60 C ATOM 1308 CD LYS A 81 7.860 -8.172 5.828 1.00 0.71 C ATOM 1309 CE LYS A 81 6.588 -7.366 5.603 1.00 1.18 C ATOM 1310 NZ LYS A 81 6.402 -6.313 6.635 1.00 1.87 N ATOM 0 H LYS A 81 9.490 -6.445 1.216 1.00 0.40 H new ATOM 0 HA LYS A 81 10.089 -9.089 2.419 1.00 0.44 H new ATOM 0 HB2 LYS A 81 9.865 -7.309 4.141 1.00 0.49 H new ATOM 0 HB3 LYS A 81 8.284 -6.909 3.500 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.538 -9.262 4.004 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.096 -9.561 4.749 1.00 0.60 H new ATOM 0 HD2 LYS A 81 7.669 -8.962 6.554 1.00 0.71 H new ATOM 0 HD3 LYS A 81 8.630 -7.529 6.253 1.00 0.71 H new ATOM 0 HE2 LYS A 81 6.622 -6.904 4.616 1.00 1.18 H new ATOM 0 HE3 LYS A 81 5.729 -8.036 5.611 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 5.390 -6.095 6.730 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 6.771 -6.651 7.547 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 6.915 -5.454 6.351 1.00 1.87 H new ATOM 1324 N LYS A 82 8.329 -9.812 0.791 1.00 0.40 N ATOM 1325 CA LYS A 82 7.290 -10.288 -0.100 1.00 0.37 C ATOM 1326 C LYS A 82 6.436 -11.335 0.596 1.00 0.36 C ATOM 1327 O LYS A 82 6.928 -12.399 0.970 1.00 0.46 O ATOM 1328 CB LYS A 82 7.931 -10.865 -1.362 1.00 0.47 C ATOM 1329 CG LYS A 82 8.808 -9.863 -2.099 1.00 0.54 C ATOM 1330 CD LYS A 82 9.704 -10.540 -3.121 1.00 0.76 C ATOM 1331 CE LYS A 82 10.565 -9.524 -3.856 1.00 0.90 C ATOM 1332 NZ LYS A 82 11.523 -10.164 -4.798 1.00 1.10 N ATOM 0 H LYS A 82 9.143 -10.423 0.854 1.00 0.40 H new ATOM 0 HA LYS A 82 6.643 -9.456 -0.379 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.531 -11.734 -1.092 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.147 -11.215 -2.033 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.178 -9.128 -2.599 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.422 -9.320 -1.380 1.00 0.54 H new ATOM 0 HD2 LYS A 82 10.343 -11.269 -2.622 1.00 0.76 H new ATOM 0 HD3 LYS A 82 9.093 -11.089 -3.837 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.921 -8.838 -4.407 1.00 0.90 H new ATOM 0 HE3 LYS A 82 11.118 -8.928 -3.130 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 12.247 -9.473 -5.080 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.980 -10.974 -4.332 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 11.012 -10.493 -5.642 1.00 1.10 H new ATOM 1346 N SER A 83 5.166 -11.024 0.781 1.00 0.31 N ATOM 1347 CA SER A 83 4.255 -11.918 1.468 1.00 0.36 C ATOM 1348 C SER A 83 2.829 -11.711 0.978 1.00 0.31 C ATOM 1349 O SER A 83 2.497 -10.660 0.430 1.00 0.50 O ATOM 1350 CB SER A 83 4.343 -11.681 2.978 1.00 0.46 C ATOM 1351 OG SER A 83 4.254 -10.296 3.282 1.00 1.12 O ATOM 0 H SER A 83 4.741 -10.153 0.462 1.00 0.31 H new ATOM 0 HA SER A 83 4.540 -12.948 1.252 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.540 -12.220 3.482 1.00 0.46 H new ATOM 0 HB3 SER A 83 5.283 -12.081 3.358 1.00 0.46 H new ATOM 0 HG SER A 83 4.311 -10.170 4.252 1.00 1.12 H new ATOM 1357 N THR A 84 2.001 -12.721 1.157 1.00 0.25 N ATOM 1358 CA THR A 84 0.602 -12.634 0.799 1.00 0.23 C ATOM 1359 C THR A 84 -0.248 -12.577 2.067 1.00 0.22 C ATOM 1360 O THR A 84 -0.276 -13.529 2.848 1.00 0.29 O ATOM 1361 CB THR A 84 0.197 -13.837 -0.074 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.192 -14.038 -1.089 1.00 0.35 O ATOM 1363 CG2 THR A 84 -1.153 -13.606 -0.733 1.00 0.27 C ATOM 0 H THR A 84 2.278 -13.619 1.552 1.00 0.25 H new ATOM 0 HA THR A 84 0.435 -11.725 0.221 1.00 0.23 H new ATOM 0 HB THR A 84 0.122 -14.718 0.564 1.00 0.27 H new ATOM 0 HG1 THR A 84 0.940 -14.803 -1.647 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.413 -14.471 -1.343 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.913 -13.462 0.035 1.00 0.27 H new ATOM 0 HG23 THR A 84 -1.103 -12.719 -1.365 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.911 -11.451 2.281 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.683 -11.239 3.502 1.00 0.18 C ATOM 1373 C ASN A 85 -2.854 -10.314 3.223 1.00 0.17 C ATOM 1374 O ASN A 85 -2.841 -9.568 2.245 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.824 -10.621 4.606 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.196 -11.128 5.987 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.333 -11.539 6.232 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.242 -11.093 6.906 1.00 0.37 N ATOM 0 H ASN A 85 -0.932 -10.668 1.627 1.00 0.18 H new ATOM 0 HA ASN A 85 -2.041 -12.213 3.836 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.225 -10.843 4.412 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.931 -9.537 4.580 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.436 -11.413 7.855 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.686 -10.746 6.665 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.872 -10.375 4.068 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.970 -9.431 3.995 1.00 0.19 C ATOM 1387 C LYS A 86 -4.480 -8.080 4.500 1.00 0.18 C ATOM 1388 O LYS A 86 -3.372 -7.982 5.023 1.00 0.21 O ATOM 1389 CB LYS A 86 -6.137 -9.901 4.864 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.395 -11.399 4.821 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.632 -11.742 5.625 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.721 -13.220 5.958 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.298 -14.018 4.847 1.00 1.17 N ATOM 0 H LYS A 86 -3.958 -11.069 4.811 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.313 -9.353 2.963 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.945 -9.608 5.896 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -7.041 -9.381 4.548 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.523 -11.724 3.788 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.534 -11.935 5.220 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.631 -11.165 6.549 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.519 -11.446 5.065 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -6.726 -13.597 6.193 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -8.331 -13.352 6.851 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.771 -14.860 5.233 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -8.990 -13.441 4.328 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -7.539 -14.313 4.201 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.282 -7.044 4.355 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.931 -5.753 4.921 1.00 0.18 C ATOM 1409 C PHE A 87 -6.172 -4.945 5.251 1.00 0.18 C ATOM 1410 O PHE A 87 -7.234 -5.146 4.669 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.987 -4.965 3.998 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.487 -4.760 2.590 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.387 -3.745 2.303 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -4.076 -5.591 1.559 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.861 -3.563 1.018 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.549 -5.413 0.273 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.379 -4.365 -0.016 1.00 0.20 C ATOM 0 H PHE A 87 -6.172 -7.067 3.856 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.395 -5.941 5.851 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.799 -3.989 4.445 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -3.030 -5.485 3.954 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.721 -3.089 3.093 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.377 -6.388 1.764 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.601 -2.803 0.815 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -4.262 -6.104 -0.506 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.659 -4.160 -1.039 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.034 -4.063 6.220 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.126 -3.229 6.664 1.00 0.20 C ATOM 1429 C CYS A 88 -6.987 -1.843 6.053 1.00 0.20 C ATOM 1430 O CYS A 88 -5.939 -1.200 6.183 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.113 -3.133 8.190 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.546 -2.258 8.894 1.00 0.49 S ATOM 0 H CYS A 88 -5.159 -3.906 6.721 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.072 -3.667 6.345 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.076 -4.140 8.606 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.201 -2.625 8.503 1.00 0.25 H new ATOM 1437 N VAL A 89 -8.024 -1.394 5.377 1.00 0.21 N ATOM 1438 CA VAL A 89 -8.022 -0.075 4.775 1.00 0.22 C ATOM 1439 C VAL A 89 -9.150 0.768 5.341 1.00 0.24 C ATOM 1440 O VAL A 89 -10.241 0.262 5.608 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.135 -0.132 3.232 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.821 -0.587 2.622 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.270 -1.051 2.793 1.00 0.20 C ATOM 0 H VAL A 89 -8.883 -1.925 5.230 1.00 0.21 H new ATOM 0 HA VAL A 89 -7.064 0.383 5.019 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.360 0.873 2.875 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.916 -0.622 1.537 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -6.032 0.113 2.894 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.570 -1.580 2.996 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.323 -1.069 1.704 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.086 -2.059 3.164 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.213 -0.682 3.196 1.00 0.20 H new ATOM 1453 N THR A 90 -8.877 2.042 5.563 1.00 0.26 N ATOM 1454 CA THR A 90 -9.905 2.954 6.007 1.00 0.28 C ATOM 1455 C THR A 90 -10.690 3.440 4.799 1.00 0.25 C ATOM 1456 O THR A 90 -10.186 4.238 3.997 1.00 0.25 O ATOM 1457 CB THR A 90 -9.314 4.170 6.743 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.404 3.741 7.764 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.413 5.016 7.369 1.00 0.40 C ATOM 0 H THR A 90 -7.956 2.462 5.443 1.00 0.26 H new ATOM 0 HA THR A 90 -10.552 2.420 6.703 1.00 0.28 H new ATOM 0 HB THR A 90 -8.779 4.775 6.011 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.903 3.301 8.483 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.968 5.868 7.883 1.00 0.40 H new ATOM 0 HG22 THR A 90 -11.086 5.373 6.589 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.973 4.414 8.084 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.907 2.957 4.658 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.715 3.287 3.503 1.00 0.22 C ATOM 1469 C CYS A 91 -13.626 4.469 3.778 1.00 0.25 C ATOM 1470 O CYS A 91 -14.317 4.503 4.791 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.537 2.072 3.104 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.526 0.600 2.767 1.00 0.20 S ATOM 0 H CYS A 91 -12.358 2.335 5.329 1.00 0.23 H new ATOM 0 HA CYS A 91 -12.051 3.570 2.686 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.245 1.843 3.901 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.122 2.313 2.217 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.598 5.446 2.884 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.529 6.559 2.933 1.00 0.29 C ATOM 1479 C GLU A 92 -14.905 6.958 1.514 1.00 0.27 C ATOM 1480 O GLU A 92 -14.050 6.993 0.632 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.936 7.756 3.674 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.956 8.856 3.939 1.00 0.48 C ATOM 1483 CD GLU A 92 -14.357 10.087 4.581 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -13.830 10.950 3.852 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -14.432 10.211 5.822 1.00 0.76 O ATOM 0 H GLU A 92 -12.934 5.488 2.111 1.00 0.24 H new ATOM 0 HA GLU A 92 -15.417 6.242 3.480 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -13.519 7.419 4.623 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -13.111 8.165 3.091 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -15.427 9.139 2.998 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -15.742 8.465 4.584 1.00 0.48 H new ATOM 1492 N ASN A 93 -16.191 7.226 1.302 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.711 7.620 -0.010 1.00 0.31 C ATOM 1494 C ASN A 93 -16.413 6.553 -1.057 1.00 0.28 C ATOM 1495 O ASN A 93 -16.238 6.859 -2.238 1.00 0.31 O ATOM 1496 CB ASN A 93 -16.129 8.969 -0.443 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.466 10.081 0.529 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -17.510 10.062 1.182 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -15.587 11.058 0.632 1.00 0.65 N ATOM 0 H ASN A 93 -16.903 7.177 2.031 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.793 7.722 0.076 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -15.046 8.883 -0.531 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.510 9.226 -1.431 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -15.760 11.835 1.270 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -14.734 11.037 0.074 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.372 5.298 -0.601 1.00 0.26 N ATOM 1507 CA GLN A 94 -16.187 4.133 -1.467 1.00 0.25 C ATOM 1508 C GLN A 94 -14.761 4.040 -2.003 1.00 0.22 C ATOM 1509 O GLN A 94 -14.497 3.319 -2.966 1.00 0.26 O ATOM 1510 CB GLN A 94 -17.187 4.153 -2.621 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.632 4.179 -2.159 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.619 4.084 -3.302 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.736 4.589 -3.215 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -19.210 3.452 -4.389 1.00 0.48 N ATOM 0 H GLN A 94 -16.467 5.061 0.387 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.368 3.248 -0.858 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.996 5.027 -3.244 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -17.028 3.275 -3.246 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.802 3.352 -1.469 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.814 5.100 -1.604 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -18.275 3.046 -4.422 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.830 3.370 -5.195 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.845 4.749 -1.366 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.448 4.712 -1.765 1.00 0.19 C ATOM 1525 C ALA A 95 -11.528 4.563 -0.557 1.00 0.17 C ATOM 1526 O ALA A 95 -11.760 5.172 0.491 1.00 0.19 O ATOM 1527 CB ALA A 95 -12.092 5.968 -2.548 1.00 0.21 C ATOM 0 H ALA A 95 -14.043 5.357 -0.571 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.304 3.841 -2.404 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -11.043 5.929 -2.841 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.716 6.030 -3.440 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -12.262 6.846 -1.924 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.502 3.705 -0.674 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.435 3.609 0.324 1.00 0.17 C ATOM 1535 C PRO A 96 -8.643 4.908 0.421 1.00 0.19 C ATOM 1536 O PRO A 96 -7.845 5.228 -0.456 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.533 2.481 -0.188 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.330 1.756 -1.216 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.331 2.735 -1.765 1.00 0.17 C ATOM 0 HA PRO A 96 -9.832 3.419 1.321 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.614 2.880 -0.616 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.243 1.814 0.624 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.685 1.378 -2.009 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.833 0.894 -0.777 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.966 3.214 -2.674 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.272 2.247 -2.018 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.882 5.670 1.474 1.00 0.20 N ATOM 1548 CA VAL A 97 -8.230 6.965 1.625 1.00 0.24 C ATOM 1549 C VAL A 97 -7.154 6.935 2.701 1.00 0.27 C ATOM 1550 O VAL A 97 -6.299 7.816 2.760 1.00 0.35 O ATOM 1551 CB VAL A 97 -9.247 8.075 1.950 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -10.171 8.322 0.766 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -10.045 7.711 3.189 1.00 0.35 C ATOM 0 H VAL A 97 -9.516 5.420 2.233 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.759 7.185 0.667 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.701 8.997 2.150 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.881 9.110 1.017 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.581 8.627 -0.098 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.713 7.406 0.530 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.760 8.504 3.407 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.580 6.777 3.016 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -9.368 7.590 4.035 1.00 0.35 H new ATOM 1563 N HIS A 98 -7.204 5.930 3.559 1.00 0.30 N ATOM 1564 CA HIS A 98 -6.212 5.784 4.615 1.00 0.35 C ATOM 1565 C HIS A 98 -5.857 4.314 4.769 1.00 0.31 C ATOM 1566 O HIS A 98 -6.719 3.449 4.627 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.724 6.336 5.956 1.00 0.42 C ATOM 1568 CG HIS A 98 -7.177 7.763 5.919 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -8.419 8.291 5.992 1.00 1.03 N flip ATOM 1570 CD2 HIS A 98 -6.319 8.831 5.786 1.00 0.75 C flip ATOM 1571 CE1 HIS A 98 -8.294 9.652 5.898 1.00 1.08 C flip ATOM 1572 NE2 HIS A 98 -7.015 9.952 5.776 1.00 0.82 N flip ATOM 0 H HIS A 98 -7.919 5.203 3.547 1.00 0.30 H new ATOM 0 HA HIS A 98 -5.329 6.358 4.334 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.554 5.715 6.295 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.931 6.241 6.698 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -5.244 8.762 5.703 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -9.108 10.362 5.920 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -6.629 10.892 5.689 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.597 4.030 5.047 1.00 0.31 N ATOM 1582 CA PHE A 99 -4.148 2.655 5.206 1.00 0.29 C ATOM 1583 C PHE A 99 -3.933 2.341 6.682 1.00 0.29 C ATOM 1584 O PHE A 99 -3.269 3.097 7.395 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.856 2.424 4.415 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.416 0.988 4.379 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -3.052 0.079 3.549 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.372 0.544 5.177 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.655 -1.244 3.512 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.971 -0.778 5.145 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.615 -1.673 4.312 1.00 0.31 C ATOM 0 H PHE A 99 -3.866 4.731 5.168 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.916 1.987 4.816 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.998 2.776 3.393 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -2.060 3.027 4.852 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.868 0.409 2.923 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.867 1.239 5.831 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.158 -1.941 2.858 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.156 -1.111 5.770 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.305 -2.707 4.287 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.505 1.234 7.132 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.408 0.831 8.528 1.00 0.28 C ATOM 1603 C VAL A 100 -3.188 -0.068 8.747 1.00 0.28 C ATOM 1604 O VAL A 100 -2.188 0.355 9.327 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.692 0.096 8.978 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.592 -0.348 10.429 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.918 0.979 8.766 1.00 0.29 C ATOM 0 H VAL A 100 -5.044 0.595 6.547 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.293 1.732 9.130 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.800 -0.798 8.363 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.509 -0.862 10.716 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.746 -1.025 10.545 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.449 0.524 11.067 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.812 0.444 9.088 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.812 1.894 9.349 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -7.007 1.230 7.709 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.273 -1.298 8.262 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.178 -2.246 8.389 1.00 0.29 C ATOM 1619 C GLY A 101 -2.511 -3.535 7.684 1.00 0.25 C ATOM 1620 O GLY A 101 -3.562 -3.627 7.061 1.00 0.28 O ATOM 0 H GLY A 101 -4.092 -1.663 7.776 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.268 -1.818 7.967 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -1.979 -2.442 9.443 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.647 -4.531 7.770 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.909 -5.795 7.098 1.00 0.22 C ATOM 1626 C VAL A 102 -2.290 -6.865 8.112 1.00 0.24 C ATOM 1627 O VAL A 102 -1.986 -6.749 9.302 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.714 -6.271 6.229 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.003 -5.085 5.603 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.253 -7.151 7.009 1.00 0.25 C ATOM 0 H VAL A 102 -0.770 -4.493 8.290 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.745 -5.627 6.419 1.00 0.22 H new ATOM 0 HB VAL A 102 -1.122 -6.888 5.428 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.837 -5.442 4.998 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.692 -4.531 4.972 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.379 -4.431 6.389 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.071 -7.458 6.358 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.653 -6.592 7.855 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.272 -8.034 7.374 1.00 0.25 H new ATOM 1640 N GLY A 103 -3.000 -7.875 7.643 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.402 -8.971 8.500 1.00 0.29 C ATOM 1642 C GLY A 103 -4.776 -8.764 9.100 1.00 0.28 C ATOM 1643 O GLY A 103 -5.690 -9.553 8.858 1.00 0.34 O ATOM 0 H GLY A 103 -3.309 -7.957 6.674 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.396 -9.898 7.926 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.673 -9.087 9.302 1.00 0.29 H new ATOM 1647 N SER A 104 -4.922 -7.703 9.878 1.00 0.33 N ATOM 1648 CA SER A 104 -6.178 -7.402 10.539 1.00 0.32 C ATOM 1649 C SER A 104 -6.275 -5.919 10.873 1.00 0.39 C ATOM 1650 O SER A 104 -5.301 -5.176 10.728 1.00 0.59 O ATOM 1651 CB SER A 104 -6.290 -8.235 11.814 1.00 0.45 C ATOM 1652 OG SER A 104 -5.095 -8.158 12.579 1.00 1.38 O ATOM 0 H SER A 104 -4.178 -7.032 10.067 1.00 0.33 H new ATOM 0 HA SER A 104 -6.998 -7.650 9.865 1.00 0.32 H new ATOM 0 HB2 SER A 104 -7.131 -7.882 12.411 1.00 0.45 H new ATOM 0 HB3 SER A 104 -6.495 -9.274 11.557 1.00 0.45 H new ATOM 0 HG SER A 104 -5.191 -8.698 13.391 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.455 -5.499 11.306 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.663 -4.137 11.769 1.00 0.53 C ATOM 1660 C CYS A 105 -7.376 -4.063 13.263 1.00 0.48 C ATOM 1661 O CYS A 105 -6.292 -3.570 13.648 1.00 1.10 O ATOM 1662 CB CYS A 105 -9.105 -3.689 11.509 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.618 -3.743 9.763 1.00 1.01 S ATOM 1664 OXT CYS A 105 -8.218 -4.542 14.051 1.00 1.20 O ATOM 0 H CYS A 105 -8.287 -6.087 11.346 1.00 0.39 H new ATOM 0 HA CYS A 105 -6.988 -3.477 11.224 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -9.777 -4.320 12.090 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.226 -2.670 11.877 1.00 0.82 H new TER 1669 CYS A 105