USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 858 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0464 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0865 X(o=-0.086,f=0) USER MOD Single : A 24 ASN : amide:sc= -3.75! C(o=-3.8!,f=-9.7!) USER MOD Single : A 26 GLN : amide:sc= -0.88 K(o=-0.88,f=-9.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 165:sc= -0.496 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=-0.0032) USER MOD Single : B 24 ASN : amide:sc= -2.91! C(o=-2.9!,f=-9!) USER MOD Single : B 26 GLN : amide:sc= -0.785 K(o=-0.79,f=-9.4!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 TYR OH : rot 160:sc= -0.661 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -21.393 14.914 5.336 1.00 0.00 N ATOM 2 CA SER A 12 -20.821 15.727 6.447 1.00 0.00 C ATOM 3 C SER A 12 -19.690 14.961 7.136 1.00 0.00 C ATOM 4 O SER A 12 -19.840 14.469 8.237 1.00 0.00 O ATOM 5 CB SER A 12 -21.982 15.947 7.414 1.00 0.00 C ATOM 6 OG SER A 12 -21.797 17.178 8.100 1.00 0.00 O ATOM 0 HA SER A 12 -20.399 16.668 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 12 -22.926 15.960 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 12 -22.037 15.125 8.128 1.00 0.00 H new ATOM 0 HG SER A 12 -22.542 17.322 8.720 1.00 0.00 H new ATOM 14 N LEU A 13 -18.557 14.857 6.498 1.00 0.00 N ATOM 15 CA LEU A 13 -17.418 14.123 7.117 1.00 0.00 C ATOM 16 C LEU A 13 -16.695 15.017 8.128 1.00 0.00 C ATOM 17 O LEU A 13 -15.521 15.302 7.992 1.00 0.00 O ATOM 18 CB LEU A 13 -16.492 13.774 5.950 1.00 0.00 C ATOM 19 CG LEU A 13 -16.870 12.403 5.391 1.00 0.00 C ATOM 20 CD1 LEU A 13 -18.192 12.510 4.629 1.00 0.00 C ATOM 21 CD2 LEU A 13 -15.771 11.921 4.440 1.00 0.00 C ATOM 0 H LEU A 13 -18.371 15.249 5.575 1.00 0.00 H new ATOM 0 HA LEU A 13 -17.745 13.236 7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -16.572 14.531 5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -15.455 13.769 6.284 1.00 0.00 H new ATOM 0 HG LEU A 13 -16.980 11.693 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -18.462 11.532 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -18.975 12.855 5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -18.083 13.219 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -16.039 10.943 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -15.662 12.631 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.828 11.846 4.982 1.00 0.00 H new ATOM 33 N ARG A 14 -17.385 15.461 9.141 1.00 0.00 N ATOM 34 CA ARG A 14 -16.736 16.337 10.160 1.00 0.00 C ATOM 35 C ARG A 14 -15.840 15.501 11.078 1.00 0.00 C ATOM 36 O ARG A 14 -14.632 15.634 11.072 1.00 0.00 O ATOM 37 CB ARG A 14 -17.891 16.954 10.948 1.00 0.00 C ATOM 38 CG ARG A 14 -18.643 17.945 10.057 1.00 0.00 C ATOM 39 CD ARG A 14 -19.945 18.363 10.744 1.00 0.00 C ATOM 40 NE ARG A 14 -20.423 19.546 9.975 1.00 0.00 N ATOM 41 CZ ARG A 14 -21.520 20.157 10.333 1.00 0.00 C ATOM 42 NH1 ARG A 14 -21.833 20.249 11.596 1.00 0.00 N ATOM 43 NH2 ARG A 14 -22.302 20.675 9.427 1.00 0.00 N ATOM 0 H ARG A 14 -18.370 15.256 9.309 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.103 17.100 9.708 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.568 16.173 11.294 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -17.511 17.461 11.835 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -18.023 18.821 9.865 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.859 17.490 9.090 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -20.678 17.557 10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -19.776 18.615 11.791 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.894 19.879 9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -21.221 19.844 12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -22.690 20.726 11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -22.056 20.603 8.440 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -23.159 21.152 9.706 1.00 0.00 H new ATOM 57 N GLU A 15 -16.422 14.644 11.871 1.00 0.00 N ATOM 58 CA GLU A 15 -15.601 13.798 12.791 1.00 0.00 C ATOM 59 C GLU A 15 -14.944 12.649 12.018 1.00 0.00 C ATOM 60 O GLU A 15 -14.020 12.020 12.495 1.00 0.00 O ATOM 61 CB GLU A 15 -16.593 13.255 13.818 1.00 0.00 C ATOM 62 CG GLU A 15 -17.149 14.411 14.655 1.00 0.00 C ATOM 63 CD GLU A 15 -18.571 14.077 15.105 1.00 0.00 C ATOM 64 OE1 GLU A 15 -19.424 13.927 14.245 1.00 0.00 O ATOM 65 OE2 GLU A 15 -18.785 13.978 16.302 1.00 0.00 O ATOM 0 H GLU A 15 -17.429 14.491 11.924 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.795 14.363 13.259 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.406 12.734 13.313 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.102 12.528 14.464 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.513 14.584 15.523 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.148 15.331 14.070 1.00 0.00 H new ATOM 72 N CYS A 16 -15.414 12.366 10.831 1.00 0.00 N ATOM 73 CA CYS A 16 -14.816 11.254 10.035 1.00 0.00 C ATOM 74 C CYS A 16 -13.292 11.401 9.965 1.00 0.00 C ATOM 75 O CYS A 16 -12.558 10.574 10.467 1.00 0.00 O ATOM 76 CB CYS A 16 -15.431 11.396 8.642 1.00 0.00 C ATOM 77 SG CYS A 16 -14.818 10.070 7.575 1.00 0.00 S ATOM 0 H CYS A 16 -16.186 12.857 10.379 1.00 0.00 H new ATOM 0 HA CYS A 16 -15.016 10.278 10.477 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.518 11.352 8.706 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -15.176 12.367 8.217 1.00 0.00 H new ATOM 82 N GLU A 17 -12.817 12.444 9.345 1.00 0.00 N ATOM 83 CA GLU A 17 -11.343 12.642 9.239 1.00 0.00 C ATOM 84 C GLU A 17 -10.745 13.000 10.607 1.00 0.00 C ATOM 85 O GLU A 17 -9.543 12.995 10.785 1.00 0.00 O ATOM 86 CB GLU A 17 -11.172 13.804 8.261 1.00 0.00 C ATOM 87 CG GLU A 17 -9.735 13.829 7.741 1.00 0.00 C ATOM 88 CD GLU A 17 -9.464 15.168 7.052 1.00 0.00 C ATOM 89 OE1 GLU A 17 -10.392 15.712 6.473 1.00 0.00 O ATOM 90 OE2 GLU A 17 -8.336 15.626 7.114 1.00 0.00 O ATOM 0 H GLU A 17 -13.385 13.169 8.906 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.832 11.740 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.869 13.698 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.407 14.746 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.036 13.684 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.576 13.009 7.041 1.00 0.00 H new ATOM 97 N LEU A 18 -11.568 13.315 11.571 1.00 0.00 N ATOM 98 CA LEU A 18 -11.034 13.675 12.916 1.00 0.00 C ATOM 99 C LEU A 18 -10.645 12.413 13.692 1.00 0.00 C ATOM 100 O LEU A 18 -9.745 12.428 14.508 1.00 0.00 O ATOM 101 CB LEU A 18 -12.182 14.401 13.618 1.00 0.00 C ATOM 102 CG LEU A 18 -11.640 15.170 14.824 1.00 0.00 C ATOM 103 CD1 LEU A 18 -10.914 16.427 14.343 1.00 0.00 C ATOM 104 CD2 LEU A 18 -12.803 15.570 15.737 1.00 0.00 C ATOM 0 H LEU A 18 -12.584 13.339 11.486 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.139 14.293 12.849 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.670 15.087 12.925 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.937 13.684 13.940 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.944 14.538 15.376 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.528 16.975 15.202 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.087 16.143 13.692 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.609 17.060 13.791 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.418 16.118 16.597 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.498 16.202 15.185 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.321 14.674 16.080 1.00 0.00 H new ATOM 116 N TYR A 19 -11.320 11.323 13.449 1.00 0.00 N ATOM 117 CA TYR A 19 -10.988 10.065 14.177 1.00 0.00 C ATOM 118 C TYR A 19 -9.562 9.618 13.851 1.00 0.00 C ATOM 119 O TYR A 19 -8.765 9.358 14.731 1.00 0.00 O ATOM 120 CB TYR A 19 -11.997 9.035 13.672 1.00 0.00 C ATOM 121 CG TYR A 19 -11.729 7.704 14.331 1.00 0.00 C ATOM 122 CD1 TYR A 19 -11.939 7.547 15.718 1.00 0.00 C ATOM 123 CD2 TYR A 19 -11.268 6.613 13.559 1.00 0.00 C ATOM 124 CE1 TYR A 19 -11.687 6.302 16.335 1.00 0.00 C ATOM 125 CE2 TYR A 19 -11.015 5.368 14.176 1.00 0.00 C ATOM 126 CZ TYR A 19 -11.227 5.212 15.565 1.00 0.00 C ATOM 127 OH TYR A 19 -10.982 3.995 16.168 1.00 0.00 O ATOM 0 H TYR A 19 -12.086 11.249 12.779 1.00 0.00 H new ATOM 0 HA TYR A 19 -11.040 10.193 15.258 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.012 9.365 13.894 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.923 8.938 12.589 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.293 8.380 16.308 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.109 6.732 12.497 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.846 6.184 17.397 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.660 4.535 13.587 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.672 3.353 15.495 1.00 0.00 H new ATOM 137 N VAL A 20 -9.235 9.525 12.593 1.00 0.00 N ATOM 138 CA VAL A 20 -7.862 9.091 12.207 1.00 0.00 C ATOM 139 C VAL A 20 -6.845 10.181 12.547 1.00 0.00 C ATOM 140 O VAL A 20 -6.191 10.726 11.680 1.00 0.00 O ATOM 141 CB VAL A 20 -7.921 8.869 10.696 1.00 0.00 C ATOM 142 CG1 VAL A 20 -8.911 7.748 10.378 1.00 0.00 C ATOM 143 CG2 VAL A 20 -8.374 10.160 10.009 1.00 0.00 C ATOM 0 H VAL A 20 -9.860 9.731 11.813 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.553 8.191 12.739 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.932 8.590 10.333 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.951 7.592 9.300 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.588 6.828 10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.901 8.023 10.741 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.416 10.003 8.931 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.362 10.439 10.374 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.666 10.958 10.232 1.00 0.00 H new ATOM 153 N GLN A 21 -6.704 10.504 13.803 1.00 0.00 N ATOM 154 CA GLN A 21 -5.727 11.557 14.194 1.00 0.00 C ATOM 155 C GLN A 21 -4.342 10.941 14.408 1.00 0.00 C ATOM 156 O GLN A 21 -4.031 9.893 13.877 1.00 0.00 O ATOM 157 CB GLN A 21 -6.266 12.128 15.506 1.00 0.00 C ATOM 158 CG GLN A 21 -6.069 13.646 15.524 1.00 0.00 C ATOM 159 CD GLN A 21 -7.260 14.306 16.221 1.00 0.00 C ATOM 160 OE1 GLN A 21 -8.177 14.772 15.574 1.00 0.00 O ATOM 161 NE2 GLN A 21 -7.286 14.367 17.525 1.00 0.00 N ATOM 0 H GLN A 21 -7.223 10.084 14.574 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.619 12.324 13.428 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.324 11.887 15.612 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.749 11.674 16.352 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.145 13.897 16.044 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.975 14.023 14.506 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.517 13.976 18.069 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.075 14.805 17.999 1.00 0.00 H new ATOM 170 N LYS A 22 -3.509 11.580 15.183 1.00 0.00 N ATOM 171 CA LYS A 22 -2.149 11.024 15.433 1.00 0.00 C ATOM 172 C LYS A 22 -2.252 9.777 16.313 1.00 0.00 C ATOM 173 O LYS A 22 -1.758 9.744 17.424 1.00 0.00 O ATOM 174 CB LYS A 22 -1.394 12.138 16.161 1.00 0.00 C ATOM 175 CG LYS A 22 0.078 11.747 16.313 1.00 0.00 C ATOM 176 CD LYS A 22 0.966 12.936 15.940 1.00 0.00 C ATOM 177 CE LYS A 22 1.751 13.398 17.170 1.00 0.00 C ATOM 178 NZ LYS A 22 2.838 14.261 16.630 1.00 0.00 N ATOM 0 H LYS A 22 -3.711 12.462 15.653 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.643 10.727 14.514 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.477 13.071 15.604 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.838 12.311 17.141 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.279 11.438 17.339 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.306 10.895 15.673 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.653 12.653 15.143 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.354 13.754 15.558 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.114 13.951 17.860 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.157 12.550 17.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.421 14.617 17.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.432 13.706 15.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.421 15.064 16.117 1.00 0.00 H new ATOM 192 N HIS A 23 -2.898 8.753 15.826 1.00 0.00 N ATOM 193 CA HIS A 23 -3.043 7.509 16.634 1.00 0.00 C ATOM 194 C HIS A 23 -3.541 6.361 15.754 1.00 0.00 C ATOM 195 O HIS A 23 -3.110 5.232 15.885 1.00 0.00 O ATOM 196 CB HIS A 23 -4.086 7.855 17.697 1.00 0.00 C ATOM 197 CG HIS A 23 -3.716 7.196 18.998 1.00 0.00 C ATOM 198 ND1 HIS A 23 -4.007 7.769 20.226 1.00 0.00 N ATOM 199 CD2 HIS A 23 -3.081 6.012 19.278 1.00 0.00 C ATOM 200 CE1 HIS A 23 -3.550 6.938 21.179 1.00 0.00 C ATOM 201 NE2 HIS A 23 -2.977 5.851 20.656 1.00 0.00 N ATOM 0 H HIS A 23 -3.332 8.724 14.903 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.098 7.187 17.072 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.142 8.936 17.828 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.073 7.521 17.376 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.717 5.312 18.541 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.636 7.127 22.239 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.554 5.071 21.159 1.00 0.00 H new ATOM 209 N ASN A 24 -4.450 6.640 14.860 1.00 0.00 N ATOM 210 CA ASN A 24 -4.981 5.564 13.974 1.00 0.00 C ATOM 211 C ASN A 24 -3.998 5.279 12.835 1.00 0.00 C ATOM 212 O ASN A 24 -3.417 4.215 12.755 1.00 0.00 O ATOM 213 CB ASN A 24 -6.293 6.122 13.423 1.00 0.00 C ATOM 214 CG ASN A 24 -7.008 5.041 12.612 1.00 0.00 C ATOM 215 OD1 ASN A 24 -7.374 5.259 11.475 1.00 0.00 O ATOM 216 ND2 ASN A 24 -7.223 3.873 13.155 1.00 0.00 N ATOM 0 H ASN A 24 -4.848 7.566 14.704 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.127 4.624 14.507 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.930 6.458 14.242 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.096 6.991 12.795 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.699 3.143 12.624 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.915 3.690 14.110 1.00 0.00 H new ATOM 223 N ILE A 25 -3.817 6.217 11.950 1.00 0.00 N ATOM 224 CA ILE A 25 -2.880 6.002 10.809 1.00 0.00 C ATOM 225 C ILE A 25 -1.467 6.460 11.183 1.00 0.00 C ATOM 226 O ILE A 25 -0.486 5.854 10.799 1.00 0.00 O ATOM 227 CB ILE A 25 -3.441 6.861 9.677 1.00 0.00 C ATOM 228 CG1 ILE A 25 -4.860 6.395 9.339 1.00 0.00 C ATOM 229 CG2 ILE A 25 -2.551 6.722 8.439 1.00 0.00 C ATOM 230 CD1 ILE A 25 -5.443 7.285 8.240 1.00 0.00 C ATOM 0 H ILE A 25 -4.278 7.127 11.966 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.804 4.951 10.529 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.465 7.904 9.991 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.844 5.356 9.010 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.489 6.438 10.228 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.952 7.335 7.632 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.540 7.053 8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.526 5.679 8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.453 6.953 8.000 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.474 8.318 8.586 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.818 7.220 7.349 1.00 0.00 H new ATOM 242 N GLN A 26 -1.355 7.528 11.925 1.00 0.00 N ATOM 243 CA GLN A 26 -0.002 8.026 12.318 1.00 0.00 C ATOM 244 C GLN A 26 0.829 6.898 12.934 1.00 0.00 C ATOM 245 O GLN A 26 2.044 6.926 12.914 1.00 0.00 O ATOM 246 CB GLN A 26 -0.269 9.119 13.355 1.00 0.00 C ATOM 247 CG GLN A 26 0.013 10.490 12.738 1.00 0.00 C ATOM 248 CD GLN A 26 -1.131 10.873 11.798 1.00 0.00 C ATOM 249 OE1 GLN A 26 -1.953 10.046 11.455 1.00 0.00 O ATOM 250 NE2 GLN A 26 -1.219 12.099 11.363 1.00 0.00 N ATOM 0 H GLN A 26 -2.139 8.078 12.276 1.00 0.00 H new ATOM 0 HA GLN A 26 0.560 8.399 11.462 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.303 9.067 13.695 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.362 8.966 14.231 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.119 11.239 13.523 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.955 10.467 12.190 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.529 12.793 11.651 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.978 12.364 10.735 1.00 0.00 H new ATOM 259 N ALA A 27 0.187 5.906 13.485 1.00 0.00 N ATOM 260 CA ALA A 27 0.943 4.779 14.106 1.00 0.00 C ATOM 261 C ALA A 27 1.781 4.051 13.053 1.00 0.00 C ATOM 262 O ALA A 27 2.992 4.153 13.029 1.00 0.00 O ATOM 263 CB ALA A 27 -0.128 3.850 14.674 1.00 0.00 C ATOM 0 H ALA A 27 -0.829 5.825 13.533 1.00 0.00 H new ATOM 0 HA ALA A 27 1.635 5.124 14.874 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.349 2.993 15.150 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.724 4.389 15.411 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.775 3.504 13.868 1.00 0.00 H new ATOM 269 N LEU A 28 1.148 3.311 12.184 1.00 0.00 N ATOM 270 CA LEU A 28 1.908 2.570 11.136 1.00 0.00 C ATOM 271 C LEU A 28 2.691 3.543 10.249 1.00 0.00 C ATOM 272 O LEU A 28 3.630 3.164 9.579 1.00 0.00 O ATOM 273 CB LEU A 28 0.843 1.838 10.320 1.00 0.00 C ATOM 274 CG LEU A 28 -0.108 2.855 9.690 1.00 0.00 C ATOM 275 CD1 LEU A 28 -0.100 2.691 8.169 1.00 0.00 C ATOM 276 CD2 LEU A 28 -1.528 2.620 10.219 1.00 0.00 C ATOM 0 H LEU A 28 0.136 3.187 12.154 1.00 0.00 H new ATOM 0 HA LEU A 28 2.638 1.884 11.567 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.315 1.237 9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.287 1.153 10.960 1.00 0.00 H new ATOM 0 HG LEU A 28 0.217 3.863 9.948 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.779 3.417 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.909 2.856 7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.424 1.683 7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.208 3.345 9.771 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.850 1.611 9.960 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.537 2.737 11.303 1.00 0.00 H new ATOM 288 N LEU A 29 2.315 4.793 10.240 1.00 0.00 N ATOM 289 CA LEU A 29 3.045 5.779 9.391 1.00 0.00 C ATOM 290 C LEU A 29 4.344 6.212 10.078 1.00 0.00 C ATOM 291 O LEU A 29 5.317 6.545 9.431 1.00 0.00 O ATOM 292 CB LEU A 29 2.094 6.967 9.244 1.00 0.00 C ATOM 293 CG LEU A 29 1.445 6.927 7.858 1.00 0.00 C ATOM 294 CD1 LEU A 29 0.586 5.667 7.732 1.00 0.00 C ATOM 295 CD2 LEU A 29 0.563 8.167 7.672 1.00 0.00 C ATOM 0 H LEU A 29 1.538 5.173 10.781 1.00 0.00 H new ATOM 0 HA LEU A 29 3.322 5.360 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.328 6.932 10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.638 7.902 9.376 1.00 0.00 H new ATOM 0 HG LEU A 29 2.222 6.914 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.124 5.639 6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.212 4.785 7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.191 5.679 8.496 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.100 8.140 6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.214 8.179 8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.174 9.065 7.761 1.00 0.00 H new ATOM 307 N LYS A 30 4.368 6.213 11.381 1.00 0.00 N ATOM 308 CA LYS A 30 5.605 6.627 12.104 1.00 0.00 C ATOM 309 C LYS A 30 6.794 5.769 11.655 1.00 0.00 C ATOM 310 O LYS A 30 7.734 6.258 11.060 1.00 0.00 O ATOM 311 CB LYS A 30 5.299 6.389 13.584 1.00 0.00 C ATOM 312 CG LYS A 30 6.521 6.764 14.425 1.00 0.00 C ATOM 313 CD LYS A 30 6.335 6.246 15.854 1.00 0.00 C ATOM 314 CE LYS A 30 7.354 6.918 16.779 1.00 0.00 C ATOM 315 NZ LYS A 30 7.462 6.012 17.956 1.00 0.00 N ATOM 0 H LYS A 30 3.585 5.945 11.978 1.00 0.00 H new ATOM 0 HA LYS A 30 5.871 7.665 11.905 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.438 6.984 13.889 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.038 5.344 13.749 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.423 6.337 13.986 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.652 7.846 14.433 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.322 6.455 16.199 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.464 5.164 15.879 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.318 7.038 16.284 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.022 7.913 17.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.143 6.406 18.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.531 5.922 18.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.787 5.075 17.644 1.00 0.00 H new ATOM 329 N ASP A 31 6.759 4.496 11.936 1.00 0.00 N ATOM 330 CA ASP A 31 7.887 3.609 11.527 1.00 0.00 C ATOM 331 C ASP A 31 7.941 3.484 10.003 1.00 0.00 C ATOM 332 O ASP A 31 8.993 3.318 9.420 1.00 0.00 O ATOM 333 CB ASP A 31 7.577 2.255 12.167 1.00 0.00 C ATOM 334 CG ASP A 31 7.767 2.349 13.681 1.00 0.00 C ATOM 335 OD1 ASP A 31 6.904 2.913 14.333 1.00 0.00 O ATOM 336 OD2 ASP A 31 8.773 1.855 14.164 1.00 0.00 O ATOM 0 H ASP A 31 5.999 4.030 12.431 1.00 0.00 H new ATOM 0 HA ASP A 31 8.854 3.999 11.845 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.554 1.958 11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.232 1.488 11.755 1.00 0.00 H new ATOM 341 N SER A 32 6.813 3.561 9.352 1.00 0.00 N ATOM 342 CA SER A 32 6.801 3.445 7.865 1.00 0.00 C ATOM 343 C SER A 32 7.667 4.540 7.236 1.00 0.00 C ATOM 344 O SER A 32 8.516 4.274 6.411 1.00 0.00 O ATOM 345 CB SER A 32 5.337 3.621 7.467 1.00 0.00 C ATOM 346 OG SER A 32 5.249 3.781 6.057 1.00 0.00 O ATOM 0 H SER A 32 5.900 3.699 9.784 1.00 0.00 H new ATOM 0 HA SER A 32 7.205 2.492 7.523 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.756 2.755 7.783 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.913 4.490 7.970 1.00 0.00 H new ATOM 0 HG SER A 32 4.310 3.893 5.798 1.00 0.00 H new ATOM 352 N ILE A 33 7.458 5.770 7.621 1.00 0.00 N ATOM 353 CA ILE A 33 8.270 6.880 7.044 1.00 0.00 C ATOM 354 C ILE A 33 9.761 6.632 7.298 1.00 0.00 C ATOM 355 O ILE A 33 10.577 6.721 6.403 1.00 0.00 O ATOM 356 CB ILE A 33 7.793 8.139 7.773 1.00 0.00 C ATOM 357 CG1 ILE A 33 6.359 8.462 7.343 1.00 0.00 C ATOM 358 CG2 ILE A 33 8.700 9.324 7.421 1.00 0.00 C ATOM 359 CD1 ILE A 33 6.321 8.717 5.835 1.00 0.00 C ATOM 0 H ILE A 33 6.761 6.054 8.309 1.00 0.00 H new ATOM 0 HA ILE A 33 8.147 6.968 5.964 1.00 0.00 H new ATOM 0 HB ILE A 33 7.829 7.963 8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.697 7.635 7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.996 9.339 7.880 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.353 10.215 7.944 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.723 9.101 7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.669 9.499 6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.300 8.947 5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.970 9.558 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.666 7.828 5.307 1.00 0.00 H new ATOM 371 N VAL A 34 10.123 6.320 8.513 1.00 0.00 N ATOM 372 CA VAL A 34 11.562 6.070 8.819 1.00 0.00 C ATOM 373 C VAL A 34 12.118 4.972 7.906 1.00 0.00 C ATOM 374 O VAL A 34 13.311 4.873 7.697 1.00 0.00 O ATOM 375 CB VAL A 34 11.583 5.614 10.277 1.00 0.00 C ATOM 376 CG1 VAL A 34 13.032 5.418 10.730 1.00 0.00 C ATOM 377 CG2 VAL A 34 10.917 6.679 11.153 1.00 0.00 C ATOM 0 H VAL A 34 9.487 6.227 9.305 1.00 0.00 H new ATOM 0 HA VAL A 34 12.176 6.956 8.659 1.00 0.00 H new ATOM 0 HB VAL A 34 11.042 4.673 10.371 1.00 0.00 H new ATOM 0 HG11 VAL A 34 13.047 5.093 11.770 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.509 4.662 10.106 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.573 6.360 10.636 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.931 6.355 12.194 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.460 7.620 11.058 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.885 6.822 10.831 1.00 0.00 H new ATOM 387 N GLN A 35 11.265 4.148 7.364 1.00 0.00 N ATOM 388 CA GLN A 35 11.748 3.058 6.467 1.00 0.00 C ATOM 389 C GLN A 35 11.500 3.428 5.002 1.00 0.00 C ATOM 390 O GLN A 35 12.359 3.264 4.158 1.00 0.00 O ATOM 391 CB GLN A 35 10.927 1.830 6.860 1.00 0.00 C ATOM 392 CG GLN A 35 11.402 1.315 8.223 1.00 0.00 C ATOM 393 CD GLN A 35 10.764 -0.047 8.506 1.00 0.00 C ATOM 394 OE1 GLN A 35 9.849 -0.456 7.822 1.00 0.00 O ATOM 395 NE2 GLN A 35 11.212 -0.768 9.498 1.00 0.00 N ATOM 0 H GLN A 35 10.255 4.181 7.502 1.00 0.00 H new ATOM 0 HA GLN A 35 12.819 2.881 6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.868 2.086 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.035 1.050 6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.489 1.228 8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.132 2.024 9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.981 -0.423 10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.793 -1.676 9.699 1.00 0.00 H new ATOM 404 N LEU A 36 10.334 3.926 4.694 1.00 0.00 N ATOM 405 CA LEU A 36 10.036 4.308 3.283 1.00 0.00 C ATOM 406 C LEU A 36 11.006 5.398 2.813 1.00 0.00 C ATOM 407 O LEU A 36 11.173 5.624 1.632 1.00 0.00 O ATOM 408 CB LEU A 36 8.602 4.841 3.313 1.00 0.00 C ATOM 409 CG LEU A 36 7.624 3.711 2.977 1.00 0.00 C ATOM 410 CD1 LEU A 36 7.881 3.219 1.552 1.00 0.00 C ATOM 411 CD2 LEU A 36 7.820 2.553 3.959 1.00 0.00 C ATOM 0 H LEU A 36 9.575 4.085 5.357 1.00 0.00 H new ATOM 0 HA LEU A 36 10.145 3.469 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.376 5.250 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.491 5.656 2.597 1.00 0.00 H new ATOM 0 HG LEU A 36 6.602 4.083 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.185 2.415 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.738 4.042 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.903 2.849 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.123 1.750 3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.842 2.181 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.634 2.902 4.975 1.00 0.00 H new ATOM 423 N CYS A 37 11.648 6.073 3.729 1.00 0.00 N ATOM 424 CA CYS A 37 12.607 7.145 3.330 1.00 0.00 C ATOM 425 C CYS A 37 13.612 6.605 2.310 1.00 0.00 C ATOM 426 O CYS A 37 14.014 7.293 1.393 1.00 0.00 O ATOM 427 CB CYS A 37 13.317 7.540 4.624 1.00 0.00 C ATOM 428 SG CYS A 37 14.373 8.975 4.320 1.00 0.00 S ATOM 0 H CYS A 37 11.550 5.929 4.734 1.00 0.00 H new ATOM 0 HA CYS A 37 12.107 7.993 2.863 1.00 0.00 H new ATOM 0 HB2 CYS A 37 12.584 7.772 5.397 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.915 6.706 4.992 1.00 0.00 H new ATOM 433 N THR A 38 14.019 5.377 2.465 1.00 0.00 N ATOM 434 CA THR A 38 14.998 4.787 1.506 1.00 0.00 C ATOM 435 C THR A 38 14.275 4.261 0.260 1.00 0.00 C ATOM 436 O THR A 38 14.887 3.982 -0.751 1.00 0.00 O ATOM 437 CB THR A 38 15.654 3.636 2.270 1.00 0.00 C ATOM 438 OG1 THR A 38 16.027 4.084 3.567 1.00 0.00 O ATOM 439 CG2 THR A 38 16.895 3.160 1.517 1.00 0.00 C ATOM 0 H THR A 38 13.717 4.754 3.214 1.00 0.00 H new ATOM 0 HA THR A 38 15.728 5.519 1.161 1.00 0.00 H new ATOM 0 HB THR A 38 14.948 2.810 2.358 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.446 3.348 4.059 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.360 2.340 2.064 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.608 2.817 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.603 3.983 1.426 1.00 0.00 H new ATOM 447 N ALA A 39 12.976 4.121 0.324 1.00 0.00 N ATOM 448 CA ALA A 39 12.221 3.610 -0.857 1.00 0.00 C ATOM 449 C ALA A 39 12.816 2.279 -1.325 1.00 0.00 C ATOM 450 O ALA A 39 12.668 1.888 -2.466 1.00 0.00 O ATOM 451 CB ALA A 39 12.389 4.684 -1.933 1.00 0.00 C ATOM 0 H ALA A 39 12.407 4.338 1.142 1.00 0.00 H new ATOM 0 HA ALA A 39 11.171 3.427 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.860 4.380 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.979 5.627 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.448 4.811 -2.158 1.00 0.00 H new ATOM 457 N ARG A 40 13.484 1.580 -0.450 1.00 0.00 N ATOM 458 CA ARG A 40 14.087 0.273 -0.836 1.00 0.00 C ATOM 459 C ARG A 40 13.046 -0.634 -1.507 1.00 0.00 C ATOM 460 O ARG A 40 13.285 -1.159 -2.575 1.00 0.00 O ATOM 461 CB ARG A 40 14.571 -0.351 0.475 1.00 0.00 C ATOM 462 CG ARG A 40 16.024 -0.806 0.320 1.00 0.00 C ATOM 463 CD ARG A 40 16.486 -1.478 1.615 1.00 0.00 C ATOM 464 NE ARG A 40 17.891 -1.896 1.349 1.00 0.00 N ATOM 465 CZ ARG A 40 18.866 -1.048 1.534 1.00 0.00 C ATOM 466 NH1 ARG A 40 19.176 -0.662 2.742 1.00 0.00 N ATOM 467 NH2 ARG A 40 19.532 -0.585 0.511 1.00 0.00 N ATOM 0 H ARG A 40 13.639 1.858 0.519 1.00 0.00 H new ATOM 0 HA ARG A 40 14.897 0.401 -1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.490 0.373 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 40 13.940 -1.199 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 40 16.112 -1.501 -0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 40 16.662 0.048 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.431 -0.790 2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.859 -2.335 1.861 1.00 0.00 H new ATOM 0 HE ARG A 40 18.090 -2.842 1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.656 -1.023 3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 40 19.938 0.001 2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 40 19.291 -0.886 -0.433 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.294 0.078 0.656 1.00 0.00 H new ATOM 481 N PRO A 41 11.920 -0.801 -0.854 1.00 0.00 N ATOM 482 CA PRO A 41 10.850 -1.665 -1.407 1.00 0.00 C ATOM 483 C PRO A 41 10.117 -0.960 -2.551 1.00 0.00 C ATOM 484 O PRO A 41 9.177 -0.221 -2.336 1.00 0.00 O ATOM 485 CB PRO A 41 9.919 -1.891 -0.219 1.00 0.00 C ATOM 486 CG PRO A 41 10.141 -0.719 0.684 1.00 0.00 C ATOM 487 CD PRO A 41 11.539 -0.211 0.438 1.00 0.00 C ATOM 0 HA PRO A 41 11.232 -2.596 -1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.879 -1.949 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.149 -2.828 0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.409 0.063 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.018 -1.011 1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.565 0.878 0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.219 -0.519 1.232 1.00 0.00 H new ATOM 495 N GLU A 42 10.534 -1.188 -3.766 1.00 0.00 N ATOM 496 CA GLU A 42 9.854 -0.537 -4.921 1.00 0.00 C ATOM 497 C GLU A 42 8.381 -0.951 -4.956 1.00 0.00 C ATOM 498 O GLU A 42 7.530 -0.226 -5.434 1.00 0.00 O ATOM 499 CB GLU A 42 10.589 -1.053 -6.161 1.00 0.00 C ATOM 500 CG GLU A 42 10.416 -2.570 -6.270 1.00 0.00 C ATOM 501 CD GLU A 42 11.060 -3.067 -7.566 1.00 0.00 C ATOM 502 OE1 GLU A 42 11.991 -2.426 -8.025 1.00 0.00 O ATOM 503 OE2 GLU A 42 10.609 -4.078 -8.079 1.00 0.00 O ATOM 0 H GLU A 42 11.316 -1.797 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 42 9.881 0.551 -4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.198 -0.568 -7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.648 -0.802 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.875 -3.061 -5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.357 -2.828 -6.256 1.00 0.00 H new ATOM 510 N ARG A 43 8.075 -2.114 -4.449 1.00 0.00 N ATOM 511 CA ARG A 43 6.658 -2.582 -4.444 1.00 0.00 C ATOM 512 C ARG A 43 6.124 -2.616 -3.007 1.00 0.00 C ATOM 513 O ARG A 43 5.997 -3.674 -2.423 1.00 0.00 O ATOM 514 CB ARG A 43 6.706 -3.991 -5.036 1.00 0.00 C ATOM 515 CG ARG A 43 7.622 -4.872 -4.184 1.00 0.00 C ATOM 516 CD ARG A 43 8.885 -5.218 -4.974 1.00 0.00 C ATOM 517 NE ARG A 43 8.926 -6.707 -4.997 1.00 0.00 N ATOM 518 CZ ARG A 43 10.064 -7.331 -4.851 1.00 0.00 C ATOM 519 NH1 ARG A 43 11.047 -7.096 -5.677 1.00 0.00 N ATOM 520 NH2 ARG A 43 10.219 -8.186 -3.878 1.00 0.00 N ATOM 0 H ARG A 43 8.746 -2.762 -4.037 1.00 0.00 H new ATOM 0 HA ARG A 43 5.999 -1.926 -5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.703 -4.417 -5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.072 -3.953 -6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.888 -4.353 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.100 -5.785 -3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.845 -4.808 -5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.774 -4.805 -4.498 1.00 0.00 H new ATOM 0 HE ARG A 43 8.065 -7.239 -5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.926 -6.425 -6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.936 -7.583 -5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.451 -8.367 -3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.108 -8.673 -3.764 1.00 0.00 H new ATOM 534 N PRO A 44 5.831 -1.453 -2.479 1.00 0.00 N ATOM 535 CA PRO A 44 5.311 -1.361 -1.092 1.00 0.00 C ATOM 536 C PRO A 44 3.867 -1.870 -1.015 1.00 0.00 C ATOM 537 O PRO A 44 3.334 -2.080 0.057 1.00 0.00 O ATOM 538 CB PRO A 44 5.383 0.130 -0.778 1.00 0.00 C ATOM 539 CG PRO A 44 5.331 0.811 -2.110 1.00 0.00 C ATOM 540 CD PRO A 44 5.953 -0.129 -3.110 1.00 0.00 C ATOM 0 HA PRO A 44 5.877 -1.968 -0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.552 0.440 -0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.301 0.377 -0.244 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.302 1.041 -2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.872 1.757 -2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.433 -0.094 -4.067 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.995 0.126 -3.303 1.00 0.00 H new ATOM 548 N MET A 45 3.229 -2.073 -2.137 1.00 0.00 N ATOM 549 CA MET A 45 1.821 -2.571 -2.114 1.00 0.00 C ATOM 550 C MET A 45 1.721 -3.825 -1.242 1.00 0.00 C ATOM 551 O MET A 45 0.902 -3.908 -0.347 1.00 0.00 O ATOM 552 CB MET A 45 1.497 -2.904 -3.570 1.00 0.00 C ATOM 553 CG MET A 45 1.634 -1.644 -4.424 1.00 0.00 C ATOM 554 SD MET A 45 0.346 -1.632 -5.695 1.00 0.00 S ATOM 555 CE MET A 45 0.081 0.158 -5.732 1.00 0.00 C ATOM 0 H MET A 45 3.620 -1.916 -3.066 1.00 0.00 H new ATOM 0 HA MET A 45 1.128 -1.838 -1.699 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.171 -3.679 -3.936 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.484 -3.300 -3.647 1.00 0.00 H new ATOM 0 HG2 MET A 45 1.549 -0.756 -3.797 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.619 -1.613 -4.889 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.690 0.397 -6.464 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.236 0.499 -4.747 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.010 0.658 -6.008 1.00 0.00 H new ATOM 565 N ALA A 46 2.552 -4.799 -1.491 1.00 0.00 N ATOM 566 CA ALA A 46 2.511 -6.047 -0.673 1.00 0.00 C ATOM 567 C ALA A 46 3.270 -5.834 0.639 1.00 0.00 C ATOM 568 O ALA A 46 3.051 -6.525 1.616 1.00 0.00 O ATOM 569 CB ALA A 46 3.203 -7.107 -1.529 1.00 0.00 C ATOM 0 H ALA A 46 3.259 -4.786 -2.226 1.00 0.00 H new ATOM 0 HA ALA A 46 1.494 -6.340 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.213 -8.057 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.663 -7.225 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.227 -6.796 -1.736 1.00 0.00 H new ATOM 575 N PHE A 47 4.163 -4.882 0.670 1.00 0.00 N ATOM 576 CA PHE A 47 4.934 -4.624 1.919 1.00 0.00 C ATOM 577 C PHE A 47 3.977 -4.393 3.088 1.00 0.00 C ATOM 578 O PHE A 47 4.254 -4.762 4.209 1.00 0.00 O ATOM 579 CB PHE A 47 5.744 -3.360 1.628 1.00 0.00 C ATOM 580 CG PHE A 47 6.755 -3.143 2.729 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.701 -4.151 3.029 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.756 -1.933 3.459 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.647 -3.947 4.059 1.00 0.00 C ATOM 584 CE2 PHE A 47 7.701 -1.731 4.488 1.00 0.00 C ATOM 585 CZ PHE A 47 8.647 -2.737 4.788 1.00 0.00 C ATOM 0 H PHE A 47 4.392 -4.272 -0.115 1.00 0.00 H new ATOM 0 HA PHE A 47 5.574 -5.463 2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.251 -3.454 0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.080 -2.499 1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.700 -5.076 2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.034 -1.163 3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.370 -4.716 4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.701 -0.807 5.047 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.370 -2.581 5.575 1.00 0.00 H new ATOM 595 N LEU A 48 2.847 -3.787 2.834 1.00 0.00 N ATOM 596 CA LEU A 48 1.868 -3.536 3.932 1.00 0.00 C ATOM 597 C LEU A 48 1.613 -4.825 4.719 1.00 0.00 C ATOM 598 O LEU A 48 1.674 -4.845 5.934 1.00 0.00 O ATOM 599 CB LEU A 48 0.591 -3.081 3.229 1.00 0.00 C ATOM 600 CG LEU A 48 0.559 -1.554 3.170 1.00 0.00 C ATOM 601 CD1 LEU A 48 -0.698 -1.100 2.426 1.00 0.00 C ATOM 602 CD2 LEU A 48 0.540 -0.990 4.592 1.00 0.00 C ATOM 0 H LEU A 48 2.560 -3.455 1.913 1.00 0.00 H new ATOM 0 HA LEU A 48 2.230 -2.794 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.550 -3.496 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.283 -3.453 3.763 1.00 0.00 H new ATOM 0 HG LEU A 48 1.443 -1.191 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.722 -0.011 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.687 -1.503 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.582 -1.462 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.517 0.099 4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.345 -1.352 5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.434 -1.314 5.124 1.00 0.00 H new ATOM 614 N ARG A 49 1.333 -5.899 4.036 1.00 0.00 N ATOM 615 CA ARG A 49 1.078 -7.184 4.741 1.00 0.00 C ATOM 616 C ARG A 49 2.316 -7.591 5.546 1.00 0.00 C ATOM 617 O ARG A 49 2.233 -7.897 6.717 1.00 0.00 O ATOM 618 CB ARG A 49 0.798 -8.200 3.633 1.00 0.00 C ATOM 619 CG ARG A 49 0.527 -9.573 4.252 1.00 0.00 C ATOM 620 CD ARG A 49 1.065 -10.666 3.327 1.00 0.00 C ATOM 621 NE ARG A 49 0.790 -11.942 4.044 1.00 0.00 N ATOM 622 CZ ARG A 49 1.706 -12.870 4.100 1.00 0.00 C ATOM 623 NH1 ARG A 49 2.366 -13.200 3.024 1.00 0.00 N ATOM 624 NH2 ARG A 49 1.960 -13.469 5.232 1.00 0.00 N ATOM 0 H ARG A 49 1.270 -5.942 3.019 1.00 0.00 H new ATOM 0 HA ARG A 49 0.247 -7.115 5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.060 -7.881 3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.649 -8.257 2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.003 -9.643 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.543 -9.708 4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.569 -10.643 2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.132 -10.538 3.142 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.114 -12.091 4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.166 -12.733 2.140 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.082 -13.925 3.067 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.443 -13.212 6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.676 -14.194 5.276 1.00 0.00 H new ATOM 638 N GLU A 50 3.465 -7.589 4.926 1.00 0.00 N ATOM 639 CA GLU A 50 4.708 -7.973 5.658 1.00 0.00 C ATOM 640 C GLU A 50 5.263 -6.785 6.458 1.00 0.00 C ATOM 641 O GLU A 50 6.343 -6.851 7.009 1.00 0.00 O ATOM 642 CB GLU A 50 5.695 -8.388 4.565 1.00 0.00 C ATOM 643 CG GLU A 50 5.378 -9.813 4.106 1.00 0.00 C ATOM 644 CD GLU A 50 6.581 -10.388 3.355 1.00 0.00 C ATOM 645 OE1 GLU A 50 7.472 -10.905 4.010 1.00 0.00 O ATOM 646 OE2 GLU A 50 6.591 -10.302 2.139 1.00 0.00 O ATOM 0 H GLU A 50 3.598 -7.339 3.946 1.00 0.00 H new ATOM 0 HA GLU A 50 4.525 -8.772 6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.631 -7.700 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.716 -8.335 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.140 -10.439 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.500 -9.811 3.460 1.00 0.00 H new ATOM 653 N TYR A 51 4.536 -5.701 6.528 1.00 0.00 N ATOM 654 CA TYR A 51 5.031 -4.520 7.292 1.00 0.00 C ATOM 655 C TYR A 51 4.562 -4.601 8.750 1.00 0.00 C ATOM 656 O TYR A 51 5.357 -4.719 9.661 1.00 0.00 O ATOM 657 CB TYR A 51 4.410 -3.310 6.585 1.00 0.00 C ATOM 658 CG TYR A 51 4.656 -2.056 7.392 1.00 0.00 C ATOM 659 CD1 TYR A 51 5.944 -1.477 7.426 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.596 -1.465 8.115 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.172 -0.306 8.183 1.00 0.00 C ATOM 662 CE2 TYR A 51 3.824 -0.294 8.871 1.00 0.00 C ATOM 663 CZ TYR A 51 5.112 0.286 8.905 1.00 0.00 C ATOM 664 OH TYR A 51 5.333 1.430 9.646 1.00 0.00 O ATOM 0 H TYR A 51 3.623 -5.583 6.090 1.00 0.00 H new ATOM 0 HA TYR A 51 6.119 -4.462 7.316 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.839 -3.201 5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.339 -3.465 6.456 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.754 -1.929 6.873 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.612 -1.908 8.090 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.157 0.137 8.210 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.014 0.158 9.423 1.00 0.00 H new ATOM 0 HH TYR A 51 4.474 1.840 9.879 1.00 0.00 H new ATOM 674 N PHE A 52 3.279 -4.529 8.976 1.00 0.00 N ATOM 675 CA PHE A 52 2.764 -4.593 10.374 1.00 0.00 C ATOM 676 C PHE A 52 2.648 -6.048 10.843 1.00 0.00 C ATOM 677 O PHE A 52 2.725 -6.335 12.021 1.00 0.00 O ATOM 678 CB PHE A 52 1.387 -3.932 10.321 1.00 0.00 C ATOM 679 CG PHE A 52 1.238 -2.988 11.491 1.00 0.00 C ATOM 680 CD1 PHE A 52 1.780 -1.686 11.424 1.00 0.00 C ATOM 681 CD2 PHE A 52 0.553 -3.408 12.651 1.00 0.00 C ATOM 682 CE1 PHE A 52 1.637 -0.803 12.516 1.00 0.00 C ATOM 683 CE2 PHE A 52 0.409 -2.525 13.746 1.00 0.00 C ATOM 684 CZ PHE A 52 0.951 -1.222 13.678 1.00 0.00 C ATOM 0 H PHE A 52 2.565 -4.429 8.254 1.00 0.00 H new ATOM 0 HA PHE A 52 3.430 -4.093 11.077 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.268 -3.388 9.384 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.606 -4.691 10.350 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.305 -1.365 10.536 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.139 -4.404 12.702 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.052 0.193 12.463 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.115 -2.846 14.634 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.841 -0.547 14.514 1.00 0.00 H new ATOM 694 N GLU A 53 2.462 -6.968 9.935 1.00 0.00 N ATOM 695 CA GLU A 53 2.343 -8.397 10.347 1.00 0.00 C ATOM 696 C GLU A 53 3.615 -8.845 11.070 1.00 0.00 C ATOM 697 O GLU A 53 3.564 -9.418 12.140 1.00 0.00 O ATOM 698 CB GLU A 53 2.166 -9.174 9.042 1.00 0.00 C ATOM 699 CG GLU A 53 2.004 -10.663 9.350 1.00 0.00 C ATOM 700 CD GLU A 53 2.571 -11.488 8.192 1.00 0.00 C ATOM 701 OE1 GLU A 53 3.632 -11.136 7.705 1.00 0.00 O ATOM 702 OE2 GLU A 53 1.933 -12.455 7.812 1.00 0.00 O ATOM 0 H GLU A 53 2.388 -6.794 8.933 1.00 0.00 H new ATOM 0 HA GLU A 53 1.512 -8.561 11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.292 -8.806 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.029 -9.018 8.394 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.522 -10.912 10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.951 -10.902 9.500 1.00 0.00 H new ATOM 709 N LYS A 54 4.756 -8.585 10.494 1.00 0.00 N ATOM 710 CA LYS A 54 6.032 -8.994 11.151 1.00 0.00 C ATOM 711 C LYS A 54 6.355 -8.046 12.308 1.00 0.00 C ATOM 712 O LYS A 54 6.940 -8.437 13.299 1.00 0.00 O ATOM 713 CB LYS A 54 7.095 -8.883 10.056 1.00 0.00 C ATOM 714 CG LYS A 54 7.197 -10.214 9.306 1.00 0.00 C ATOM 715 CD LYS A 54 7.520 -9.949 7.835 1.00 0.00 C ATOM 716 CE LYS A 54 8.768 -10.740 7.436 1.00 0.00 C ATOM 717 NZ LYS A 54 9.852 -9.723 7.332 1.00 0.00 N ATOM 0 H LYS A 54 4.861 -8.108 9.599 1.00 0.00 H new ATOM 0 HA LYS A 54 5.979 -10.000 11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.836 -8.082 9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.059 -8.626 10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.972 -10.837 9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.259 -10.763 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.677 -10.239 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.685 -8.884 7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.009 -11.499 8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.621 -11.258 6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.741 -10.190 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.598 -9.017 6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.974 -9.251 8.251 1.00 0.00 H new ATOM 731 N LEU A 55 5.979 -6.801 12.190 1.00 0.00 N ATOM 732 CA LEU A 55 6.265 -5.828 13.284 1.00 0.00 C ATOM 733 C LEU A 55 5.648 -6.314 14.599 1.00 0.00 C ATOM 734 O LEU A 55 6.343 -6.607 15.551 1.00 0.00 O ATOM 735 CB LEU A 55 5.608 -4.521 12.836 1.00 0.00 C ATOM 736 CG LEU A 55 6.691 -3.513 12.446 1.00 0.00 C ATOM 737 CD1 LEU A 55 6.035 -2.255 11.872 1.00 0.00 C ATOM 738 CD2 LEU A 55 7.511 -3.142 13.683 1.00 0.00 C ATOM 0 H LEU A 55 5.487 -6.416 11.384 1.00 0.00 H new ATOM 0 HA LEU A 55 7.334 -5.708 13.459 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.946 -4.706 11.990 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.992 -4.117 13.640 1.00 0.00 H new ATOM 0 HG LEU A 55 7.346 -3.955 11.695 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.806 -1.537 11.594 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.451 -2.519 10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.380 -1.812 12.622 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.283 -2.424 13.406 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.857 -2.700 14.434 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.979 -4.038 14.092 1.00 0.00 H new ATOM 750 N GLU A 56 4.347 -6.398 14.658 1.00 0.00 N ATOM 751 CA GLU A 56 3.687 -6.863 15.912 1.00 0.00 C ATOM 752 C GLU A 56 4.258 -8.216 16.344 1.00 0.00 C ATOM 753 O GLU A 56 4.291 -8.542 17.513 1.00 0.00 O ATOM 754 CB GLU A 56 2.206 -6.997 15.554 1.00 0.00 C ATOM 755 CG GLU A 56 1.382 -7.138 16.836 1.00 0.00 C ATOM 756 CD GLU A 56 -0.096 -7.299 16.476 1.00 0.00 C ATOM 757 OE1 GLU A 56 -0.507 -8.422 16.233 1.00 0.00 O ATOM 758 OE2 GLU A 56 -0.793 -6.298 16.450 1.00 0.00 O ATOM 0 H GLU A 56 3.713 -6.165 13.894 1.00 0.00 H new ATOM 0 HA GLU A 56 3.847 -6.173 16.741 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.876 -6.124 14.991 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.053 -7.865 14.913 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.724 -8.000 17.408 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.520 -6.261 17.468 1.00 0.00 H new ATOM 765 N LYS A 57 4.711 -9.004 15.407 1.00 0.00 N ATOM 766 CA LYS A 57 5.280 -10.335 15.766 1.00 0.00 C ATOM 767 C LYS A 57 6.678 -10.168 16.369 1.00 0.00 C ATOM 768 O LYS A 57 7.120 -10.970 17.167 1.00 0.00 O ATOM 769 CB LYS A 57 5.353 -11.105 14.447 1.00 0.00 C ATOM 770 CG LYS A 57 5.815 -12.538 14.716 1.00 0.00 C ATOM 771 CD LYS A 57 5.161 -13.483 13.708 1.00 0.00 C ATOM 772 CE LYS A 57 3.909 -14.108 14.329 1.00 0.00 C ATOM 773 NZ LYS A 57 4.113 -15.579 14.207 1.00 0.00 N ATOM 0 H LYS A 57 4.712 -8.785 14.411 1.00 0.00 H new ATOM 0 HA LYS A 57 4.675 -10.856 16.508 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.376 -11.112 13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.044 -10.611 13.764 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.900 -12.602 14.639 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.550 -12.832 15.731 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.897 -12.938 12.802 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.864 -14.264 13.417 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.794 -13.810 15.371 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.007 -13.790 13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.295 -16.078 14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.212 -15.834 13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.975 -15.854 14.721 1.00 0.00 H new ATOM 787 N GLU A 58 7.375 -9.131 15.993 1.00 0.00 N ATOM 788 CA GLU A 58 8.743 -8.914 16.547 1.00 0.00 C ATOM 789 C GLU A 58 8.659 -8.259 17.926 1.00 0.00 C ATOM 790 O GLU A 58 9.117 -7.152 18.128 1.00 0.00 O ATOM 791 CB GLU A 58 9.429 -7.978 15.550 1.00 0.00 C ATOM 792 CG GLU A 58 10.947 -8.149 15.653 1.00 0.00 C ATOM 793 CD GLU A 58 11.533 -8.344 14.254 1.00 0.00 C ATOM 794 OE1 GLU A 58 11.006 -7.756 13.324 1.00 0.00 O ATOM 795 OE2 GLU A 58 12.503 -9.076 14.136 1.00 0.00 O ATOM 0 H GLU A 58 7.058 -8.426 15.328 1.00 0.00 H new ATOM 0 HA GLU A 58 9.290 -9.848 16.673 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.095 -8.200 14.537 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.154 -6.944 15.757 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.391 -7.273 16.126 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.185 -9.007 16.282 1.00 0.00 H new ATOM 802 N GLU A 59 8.077 -8.932 18.880 1.00 0.00 N ATOM 803 CA GLU A 59 7.965 -8.347 20.246 1.00 0.00 C ATOM 804 C GLU A 59 9.358 -8.118 20.838 1.00 0.00 C ATOM 805 O GLU A 59 10.357 -8.195 20.150 1.00 0.00 O ATOM 806 CB GLU A 59 7.200 -9.388 21.064 1.00 0.00 C ATOM 807 CG GLU A 59 7.968 -10.711 21.053 1.00 0.00 C ATOM 808 CD GLU A 59 7.007 -11.858 20.738 1.00 0.00 C ATOM 809 OE1 GLU A 59 6.449 -11.856 19.653 1.00 0.00 O ATOM 810 OE2 GLU A 59 6.848 -12.720 21.586 1.00 0.00 O ATOM 0 H GLU A 59 7.674 -9.863 18.773 1.00 0.00 H new ATOM 0 HA GLU A 59 7.458 -7.382 20.241 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.072 -9.038 22.088 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.202 -9.531 20.649 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.764 -10.675 20.309 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.443 -10.876 22.020 1.00 0.00 H new ATOM 817 N ALA A 60 9.434 -7.838 22.112 1.00 0.00 N ATOM 818 CA ALA A 60 10.763 -7.607 22.745 1.00 0.00 C ATOM 819 C ALA A 60 11.172 -8.827 23.572 1.00 0.00 C ATOM 820 O ALA A 60 10.455 -9.806 23.648 1.00 0.00 O ATOM 821 CB ALA A 60 10.565 -6.389 23.647 1.00 0.00 C ATOM 0 H ALA A 60 8.634 -7.760 22.740 1.00 0.00 H new ATOM 0 HA ALA A 60 11.550 -7.444 22.008 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.502 -6.153 24.151 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.253 -5.536 23.044 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.798 -6.607 24.390 1.00 0.00 H new ATOM 827 N LYS A 61 12.318 -8.778 24.195 1.00 0.00 N ATOM 828 CA LYS A 61 12.770 -9.936 25.018 1.00 0.00 C ATOM 829 C LYS A 61 12.212 -9.824 26.439 1.00 0.00 C ATOM 830 O LYS A 61 11.668 -10.806 26.919 1.00 0.00 O ATOM 831 CB LYS A 61 14.296 -9.842 25.032 1.00 0.00 C ATOM 832 CG LYS A 61 14.895 -11.249 25.077 1.00 0.00 C ATOM 833 CD LYS A 61 16.392 -11.177 24.778 1.00 0.00 C ATOM 834 CE LYS A 61 16.864 -12.519 24.216 1.00 0.00 C ATOM 835 NZ LYS A 61 18.236 -12.257 23.696 1.00 0.00 N ATOM 836 OXT LYS A 61 12.335 -8.760 27.021 1.00 0.00 O ATOM 0 H LYS A 61 12.961 -7.986 24.170 1.00 0.00 H new ATOM 0 HA LYS A 61 12.425 -10.888 24.615 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.646 -9.315 24.145 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.627 -9.267 25.896 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.731 -11.694 26.058 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.399 -11.890 24.349 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.593 -10.380 24.062 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.944 -10.936 25.686 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.875 -13.289 24.988 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.202 -12.870 23.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.628 -13.132 23.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.194 -11.525 22.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.845 -11.930 24.473 1.00 0.00 H new TER 850 LYS A 61 ATOM 851 N SER B 12 19.676 15.482 6.987 1.00 0.00 N ATOM 852 CA SER B 12 19.071 16.298 5.895 1.00 0.00 C ATOM 853 C SER B 12 17.959 15.511 5.198 1.00 0.00 C ATOM 854 O SER B 12 18.116 15.043 4.090 1.00 0.00 O ATOM 855 CB SER B 12 20.219 16.573 4.925 1.00 0.00 C ATOM 856 OG SER B 12 19.987 17.808 4.261 1.00 0.00 O ATOM 0 HA SER B 12 18.622 17.218 6.269 1.00 0.00 H new ATOM 0 HB2 SER B 12 21.165 16.609 5.464 1.00 0.00 H new ATOM 0 HB3 SER B 12 20.297 15.765 4.198 1.00 0.00 H new ATOM 0 HG SER B 12 20.723 17.988 3.639 1.00 0.00 H new ATOM 864 N LEU B 13 16.833 15.360 5.844 1.00 0.00 N ATOM 865 CA LEU B 13 15.711 14.603 5.219 1.00 0.00 C ATOM 866 C LEU B 13 14.954 15.496 4.231 1.00 0.00 C ATOM 867 O LEU B 13 13.775 15.743 4.383 1.00 0.00 O ATOM 868 CB LEU B 13 14.806 14.205 6.383 1.00 0.00 C ATOM 869 CG LEU B 13 15.229 12.834 6.913 1.00 0.00 C ATOM 870 CD1 LEU B 13 16.554 12.964 7.669 1.00 0.00 C ATOM 871 CD2 LEU B 13 14.152 12.304 7.863 1.00 0.00 C ATOM 0 H LEU B 13 16.643 15.728 6.776 1.00 0.00 H new ATOM 0 HA LEU B 13 16.060 13.736 4.659 1.00 0.00 H new ATOM 0 HB2 LEU B 13 14.869 14.949 7.177 1.00 0.00 H new ATOM 0 HB3 LEU B 13 13.767 14.175 6.056 1.00 0.00 H new ATOM 0 HG LEU B 13 15.354 12.144 6.079 1.00 0.00 H new ATOM 0 HD11 LEU B 13 16.855 11.987 8.046 1.00 0.00 H new ATOM 0 HD12 LEU B 13 17.322 13.345 6.995 1.00 0.00 H new ATOM 0 HD13 LEU B 13 16.430 13.653 8.504 1.00 0.00 H new ATOM 0 HD21 LEU B 13 14.451 11.327 8.243 1.00 0.00 H new ATOM 0 HD22 LEU B 13 14.030 12.995 8.697 1.00 0.00 H new ATOM 0 HD23 LEU B 13 13.207 12.212 7.327 1.00 0.00 H new ATOM 883 N ARG B 14 15.623 15.982 3.222 1.00 0.00 N ATOM 884 CA ARG B 14 14.938 16.859 2.226 1.00 0.00 C ATOM 885 C ARG B 14 14.061 16.017 1.296 1.00 0.00 C ATOM 886 O ARG B 14 12.851 16.112 1.314 1.00 0.00 O ATOM 887 CB ARG B 14 16.069 17.526 1.442 1.00 0.00 C ATOM 888 CG ARG B 14 16.799 18.520 2.345 1.00 0.00 C ATOM 889 CD ARG B 14 18.081 18.993 1.656 1.00 0.00 C ATOM 890 NE ARG B 14 18.528 20.173 2.445 1.00 0.00 N ATOM 891 CZ ARG B 14 19.605 20.823 2.094 1.00 0.00 C ATOM 892 NH1 ARG B 14 19.907 20.952 0.830 1.00 0.00 N ATOM 893 NH2 ARG B 14 20.378 21.345 3.005 1.00 0.00 N ATOM 0 H ARG B 14 16.613 15.811 3.043 1.00 0.00 H new ATOM 0 HA ARG B 14 14.285 17.592 2.700 1.00 0.00 H new ATOM 0 HB2 ARG B 14 16.766 16.772 1.076 1.00 0.00 H new ATOM 0 HB3 ARG B 14 15.667 18.039 0.569 1.00 0.00 H new ATOM 0 HG2 ARG B 14 16.154 19.372 2.561 1.00 0.00 H new ATOM 0 HG3 ARG B 14 17.039 18.052 3.300 1.00 0.00 H new ATOM 0 HD2 ARG B 14 18.839 18.210 1.652 1.00 0.00 H new ATOM 0 HD3 ARG B 14 17.895 19.261 0.616 1.00 0.00 H new ATOM 0 HE ARG B 14 17.993 20.474 3.260 1.00 0.00 H new ATOM 0 HH11 ARG B 14 19.302 20.545 0.117 1.00 0.00 H new ATOM 0 HH12 ARG B 14 20.748 21.460 0.556 1.00 0.00 H new ATOM 0 HH21 ARG B 14 20.142 21.246 3.992 1.00 0.00 H new ATOM 0 HH22 ARG B 14 21.219 21.853 2.730 1.00 0.00 H new ATOM 907 N GLU B 15 14.663 15.193 0.484 1.00 0.00 N ATOM 908 CA GLU B 15 13.863 14.344 -0.447 1.00 0.00 C ATOM 909 C GLU B 15 13.245 13.161 0.308 1.00 0.00 C ATOM 910 O GLU B 15 12.333 12.517 -0.171 1.00 0.00 O ATOM 911 CB GLU B 15 14.866 13.850 -1.491 1.00 0.00 C ATOM 912 CG GLU B 15 15.379 15.037 -2.309 1.00 0.00 C ATOM 913 CD GLU B 15 16.808 14.755 -2.777 1.00 0.00 C ATOM 914 OE1 GLU B 15 17.673 14.617 -1.927 1.00 0.00 O ATOM 915 OE2 GLU B 15 17.014 14.685 -3.977 1.00 0.00 O ATOM 0 H GLU B 15 15.674 15.070 0.424 1.00 0.00 H new ATOM 0 HA GLU B 15 13.038 14.894 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU B 15 15.699 13.346 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU B 15 14.393 13.120 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU B 15 14.731 15.207 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU B 15 15.355 15.945 -1.707 1.00 0.00 H new ATOM 922 N CYS B 16 13.737 12.868 1.481 1.00 0.00 N ATOM 923 CA CYS B 16 13.181 11.726 2.265 1.00 0.00 C ATOM 924 C CYS B 16 11.653 11.822 2.349 1.00 0.00 C ATOM 925 O CYS B 16 10.940 10.980 1.839 1.00 0.00 O ATOM 926 CB CYS B 16 13.801 11.870 3.654 1.00 0.00 C ATOM 927 SG CYS B 16 13.181 10.555 4.731 1.00 0.00 S ATOM 0 H CYS B 16 14.502 13.371 1.932 1.00 0.00 H new ATOM 0 HA CYS B 16 13.409 10.763 1.807 1.00 0.00 H new ATOM 0 HB2 CYS B 16 14.888 11.817 3.586 1.00 0.00 H new ATOM 0 HB3 CYS B 16 13.555 12.845 4.074 1.00 0.00 H new ATOM 932 N GLU B 17 11.149 12.838 2.990 1.00 0.00 N ATOM 933 CA GLU B 17 9.670 12.987 3.110 1.00 0.00 C ATOM 934 C GLU B 17 9.049 13.352 1.756 1.00 0.00 C ATOM 935 O GLU B 17 7.845 13.314 1.587 1.00 0.00 O ATOM 936 CB GLU B 17 9.469 14.122 4.114 1.00 0.00 C ATOM 937 CG GLU B 17 8.035 14.091 4.643 1.00 0.00 C ATOM 938 CD GLU B 17 7.728 15.404 5.364 1.00 0.00 C ATOM 939 OE1 GLU B 17 8.643 15.966 5.945 1.00 0.00 O ATOM 940 OE2 GLU B 17 6.585 15.829 5.321 1.00 0.00 O ATOM 0 H GLU B 17 11.697 13.573 3.437 1.00 0.00 H new ATOM 0 HA GLU B 17 9.192 12.062 3.432 1.00 0.00 H new ATOM 0 HB2 GLU B 17 10.174 14.020 4.939 1.00 0.00 H new ATOM 0 HB3 GLU B 17 9.671 15.082 3.638 1.00 0.00 H new ATOM 0 HG2 GLU B 17 7.336 13.944 3.820 1.00 0.00 H new ATOM 0 HG3 GLU B 17 7.906 13.251 5.325 1.00 0.00 H new ATOM 947 N LEU B 18 9.853 13.709 0.791 1.00 0.00 N ATOM 948 CA LEU B 18 9.298 14.079 -0.543 1.00 0.00 C ATOM 949 C LEU B 18 8.943 12.820 -1.341 1.00 0.00 C ATOM 950 O LEU B 18 8.034 12.823 -2.149 1.00 0.00 O ATOM 951 CB LEU B 18 10.419 14.853 -1.236 1.00 0.00 C ATOM 952 CG LEU B 18 9.847 15.630 -2.423 1.00 0.00 C ATOM 953 CD1 LEU B 18 9.087 16.856 -1.915 1.00 0.00 C ATOM 954 CD2 LEU B 18 10.990 16.083 -3.336 1.00 0.00 C ATOM 0 H LEU B 18 10.869 13.760 0.868 1.00 0.00 H new ATOM 0 HA LEU B 18 8.385 14.668 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.890 15.539 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.193 14.165 -1.577 1.00 0.00 H new ATOM 0 HG LEU B 18 9.167 14.987 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU B 18 8.680 17.409 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU B 18 8.272 16.536 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU B 18 9.766 17.499 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.582 16.637 -4.182 1.00 0.00 H new ATOM 0 HD22 LEU B 18 11.670 16.725 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU B 18 11.532 15.210 -3.701 1.00 0.00 H new ATOM 966 N TYR B 19 9.652 11.747 -1.124 1.00 0.00 N ATOM 967 CA TYR B 19 9.354 10.493 -1.875 1.00 0.00 C ATOM 968 C TYR B 19 7.945 9.997 -1.548 1.00 0.00 C ATOM 969 O TYR B 19 7.151 9.724 -2.428 1.00 0.00 O ATOM 970 CB TYR B 19 10.400 9.486 -1.395 1.00 0.00 C ATOM 971 CG TYR B 19 10.168 8.160 -2.078 1.00 0.00 C ATOM 972 CD1 TYR B 19 10.372 8.038 -3.470 1.00 0.00 C ATOM 973 CD2 TYR B 19 9.745 7.039 -1.325 1.00 0.00 C ATOM 974 CE1 TYR B 19 10.155 6.797 -4.111 1.00 0.00 C ATOM 975 CE2 TYR B 19 9.528 5.799 -1.966 1.00 0.00 C ATOM 976 CZ TYR B 19 9.733 5.679 -3.358 1.00 0.00 C ATOM 977 OH TYR B 19 9.519 4.467 -3.985 1.00 0.00 O ATOM 0 H TYR B 19 10.424 11.683 -0.460 1.00 0.00 H new ATOM 0 HA TYR B 19 9.393 10.642 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR B 19 11.402 9.852 -1.617 1.00 0.00 H new ATOM 0 HB3 TYR B 19 10.337 9.367 -0.313 1.00 0.00 H new ATOM 0 HD1 TYR B 19 10.694 8.893 -4.045 1.00 0.00 H new ATOM 0 HD2 TYR B 19 9.588 7.131 -0.260 1.00 0.00 H new ATOM 0 HE1 TYR B 19 10.312 6.704 -5.175 1.00 0.00 H new ATOM 0 HE2 TYR B 19 9.205 4.943 -1.392 1.00 0.00 H new ATOM 0 HH TYR B 19 9.233 3.803 -3.324 1.00 0.00 H new ATOM 987 N VAL B 20 7.631 9.873 -0.291 1.00 0.00 N ATOM 988 CA VAL B 20 6.275 9.390 0.098 1.00 0.00 C ATOM 989 C VAL B 20 5.221 10.455 -0.212 1.00 0.00 C ATOM 990 O VAL B 20 4.558 10.961 0.671 1.00 0.00 O ATOM 991 CB VAL B 20 6.355 9.139 1.602 1.00 0.00 C ATOM 992 CG1 VAL B 20 7.382 8.042 1.887 1.00 0.00 C ATOM 993 CG2 VAL B 20 6.774 10.429 2.312 1.00 0.00 C ATOM 0 H VAL B 20 8.255 10.085 0.487 1.00 0.00 H new ATOM 0 HA VAL B 20 5.989 8.492 -0.449 1.00 0.00 H new ATOM 0 HB VAL B 20 5.379 8.822 1.968 1.00 0.00 H new ATOM 0 HG11 VAL B 20 7.437 7.865 2.961 1.00 0.00 H new ATOM 0 HG12 VAL B 20 7.082 7.123 1.383 1.00 0.00 H new ATOM 0 HG13 VAL B 20 8.360 8.355 1.520 1.00 0.00 H new ATOM 0 HG21 VAL B 20 6.831 10.251 3.386 1.00 0.00 H new ATOM 0 HG22 VAL B 20 7.750 10.746 1.944 1.00 0.00 H new ATOM 0 HG23 VAL B 20 6.040 11.209 2.112 1.00 0.00 H new ATOM 1003 N GLN B 21 5.061 10.797 -1.462 1.00 0.00 N ATOM 1004 CA GLN B 21 4.048 11.829 -1.825 1.00 0.00 C ATOM 1005 C GLN B 21 2.682 11.173 -2.040 1.00 0.00 C ATOM 1006 O GLN B 21 2.407 10.106 -1.529 1.00 0.00 O ATOM 1007 CB GLN B 21 4.561 12.441 -3.129 1.00 0.00 C ATOM 1008 CG GLN B 21 4.319 13.951 -3.116 1.00 0.00 C ATOM 1009 CD GLN B 21 5.484 14.664 -3.807 1.00 0.00 C ATOM 1010 OE1 GLN B 21 6.390 15.143 -3.158 1.00 0.00 O ATOM 1011 NE2 GLN B 21 5.497 14.749 -5.111 1.00 0.00 N ATOM 0 H GLN B 21 5.586 10.408 -2.245 1.00 0.00 H new ATOM 0 HA GLN B 21 3.921 12.579 -1.044 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.625 12.234 -3.246 1.00 0.00 H new ATOM 0 HB3 GLN B 21 4.052 11.988 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN B 21 3.384 14.184 -3.625 1.00 0.00 H new ATOM 0 HG3 GLN B 21 4.220 14.305 -2.090 1.00 0.00 H new ATOM 0 HE21 GLN B 21 4.735 14.346 -5.656 1.00 0.00 H new ATOM 0 HE22 GLN B 21 6.269 15.218 -5.584 1.00 0.00 H new ATOM 1020 N LYS B 22 1.825 11.802 -2.796 1.00 0.00 N ATOM 1021 CA LYS B 22 0.479 11.212 -3.048 1.00 0.00 C ATOM 1022 C LYS B 22 0.613 9.984 -3.953 1.00 0.00 C ATOM 1023 O LYS B 22 0.113 9.959 -5.060 1.00 0.00 O ATOM 1024 CB LYS B 22 -0.313 12.316 -3.750 1.00 0.00 C ATOM 1025 CG LYS B 22 -1.774 11.884 -3.902 1.00 0.00 C ATOM 1026 CD LYS B 22 -2.693 13.038 -3.497 1.00 0.00 C ATOM 1027 CE LYS B 22 -3.503 13.500 -4.710 1.00 0.00 C ATOM 1028 NZ LYS B 22 -4.611 14.318 -4.144 1.00 0.00 N ATOM 0 H LYS B 22 1.998 12.699 -3.250 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.012 10.884 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -0.255 13.241 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.120 12.521 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.972 11.592 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -1.973 11.011 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -3.364 12.719 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -2.102 13.866 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -2.890 14.086 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -3.888 12.651 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -5.211 14.671 -4.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -5.182 13.732 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -4.215 15.123 -3.618 1.00 0.00 H new ATOM 1042 N HIS B 23 1.296 8.972 -3.493 1.00 0.00 N ATOM 1043 CA HIS B 23 1.473 7.748 -4.329 1.00 0.00 C ATOM 1044 C HIS B 23 2.012 6.598 -3.475 1.00 0.00 C ATOM 1045 O HIS B 23 1.614 5.459 -3.625 1.00 0.00 O ATOM 1046 CB HIS B 23 2.496 8.148 -5.391 1.00 0.00 C ATOM 1047 CG HIS B 23 2.138 7.503 -6.701 1.00 0.00 C ATOM 1048 ND1 HIS B 23 2.400 8.111 -7.920 1.00 0.00 N ATOM 1049 CD2 HIS B 23 1.535 6.307 -7.000 1.00 0.00 C ATOM 1050 CE1 HIS B 23 1.960 7.285 -8.887 1.00 0.00 C ATOM 1051 NE2 HIS B 23 1.422 6.172 -8.381 1.00 0.00 N ATOM 0 H HIS B 23 1.739 8.938 -2.575 1.00 0.00 H new ATOM 0 HA HIS B 23 0.536 7.405 -4.768 1.00 0.00 H new ATOM 0 HB2 HIS B 23 2.517 9.232 -5.501 1.00 0.00 H new ATOM 0 HB3 HIS B 23 3.495 7.840 -5.083 1.00 0.00 H new ATOM 0 HD2 HIS B 23 1.199 5.581 -6.274 1.00 0.00 H new ATOM 0 HE1 HIS B 23 2.033 7.496 -9.944 1.00 0.00 H new ATOM 0 HE2 HIS B 23 1.016 5.391 -8.896 1.00 0.00 H new ATOM 1059 N ASN B 24 2.919 6.885 -2.582 1.00 0.00 N ATOM 1060 CA ASN B 24 3.490 5.809 -1.723 1.00 0.00 C ATOM 1061 C ASN B 24 2.526 5.471 -0.582 1.00 0.00 C ATOM 1062 O ASN B 24 1.976 4.390 -0.519 1.00 0.00 O ATOM 1063 CB ASN B 24 4.792 6.393 -1.171 1.00 0.00 C ATOM 1064 CG ASN B 24 5.540 5.322 -0.378 1.00 0.00 C ATOM 1065 OD1 ASN B 24 5.903 5.536 0.762 1.00 0.00 O ATOM 1066 ND2 ASN B 24 5.788 4.168 -0.935 1.00 0.00 N ATOM 0 H ASN B 24 3.290 7.819 -2.410 1.00 0.00 H new ATOM 0 HA ASN B 24 3.659 4.886 -2.277 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.415 6.756 -1.989 1.00 0.00 H new ATOM 0 HB3 ASN B 24 4.576 7.249 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN B 24 6.286 3.447 -0.414 1.00 0.00 H new ATOM 0 HD22 ASN B 24 5.484 3.988 -1.892 1.00 0.00 H new ATOM 1073 N ILE B 25 2.322 6.387 0.322 1.00 0.00 N ATOM 1074 CA ILE B 25 1.402 6.122 1.464 1.00 0.00 C ATOM 1075 C ILE B 25 -0.028 6.543 1.111 1.00 0.00 C ATOM 1076 O ILE B 25 -0.986 5.898 1.488 1.00 0.00 O ATOM 1077 CB ILE B 25 1.943 6.974 2.611 1.00 0.00 C ATOM 1078 CG1 ILE B 25 3.377 6.544 2.928 1.00 0.00 C ATOM 1079 CG2 ILE B 25 1.067 6.784 3.850 1.00 0.00 C ATOM 1080 CD1 ILE B 25 3.942 7.430 4.040 1.00 0.00 C ATOM 0 H ILE B 25 2.754 7.311 0.320 1.00 0.00 H new ATOM 0 HA ILE B 25 1.362 5.064 1.722 1.00 0.00 H new ATOM 0 HB ILE B 25 1.932 8.024 2.320 1.00 0.00 H new ATOM 0 HG12 ILE B 25 3.395 5.499 3.237 1.00 0.00 H new ATOM 0 HG13 ILE B 25 3.997 6.623 2.035 1.00 0.00 H new ATOM 0 HG21 ILE B 25 1.455 7.393 4.667 1.00 0.00 H new ATOM 0 HG22 ILE B 25 0.045 7.089 3.624 1.00 0.00 H new ATOM 0 HG23 ILE B 25 1.075 5.734 4.144 1.00 0.00 H new ATOM 0 HD11 ILE B 25 4.963 7.124 4.266 1.00 0.00 H new ATOM 0 HD12 ILE B 25 3.939 8.470 3.714 1.00 0.00 H new ATOM 0 HD13 ILE B 25 3.327 7.328 4.934 1.00 0.00 H new ATOM 1092 N GLN B 26 -0.180 7.622 0.393 1.00 0.00 N ATOM 1093 CA GLN B 26 -1.549 8.087 0.020 1.00 0.00 C ATOM 1094 C GLN B 26 -2.351 6.946 -0.614 1.00 0.00 C ATOM 1095 O GLN B 26 -3.566 6.937 -0.581 1.00 0.00 O ATOM 1096 CB GLN B 26 -1.323 9.207 -0.997 1.00 0.00 C ATOM 1097 CG GLN B 26 -1.644 10.556 -0.349 1.00 0.00 C ATOM 1098 CD GLN B 26 -0.505 10.955 0.590 1.00 0.00 C ATOM 1099 OE1 GLN B 26 0.345 10.148 0.912 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -0.450 12.176 1.048 1.00 0.00 N ATOM 0 H GLN B 26 0.584 8.203 0.048 1.00 0.00 H new ATOM 0 HA GLN B 26 -2.115 8.426 0.887 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -0.290 9.195 -1.344 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -1.955 9.052 -1.871 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -1.780 11.317 -1.117 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -2.581 10.492 0.205 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -1.163 12.854 0.779 1.00 0.00 H new ATOM 0 HE22 GLN B 26 0.306 12.452 1.675 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.683 5.986 -1.191 1.00 0.00 N ATOM 1110 CA ALA B 27 -2.411 4.853 -1.829 1.00 0.00 C ATOM 1111 C ALA B 27 -3.220 4.078 -0.785 1.00 0.00 C ATOM 1112 O ALA B 27 -4.432 4.145 -0.752 1.00 0.00 O ATOM 1113 CB ALA B 27 -1.314 3.965 -2.423 1.00 0.00 C ATOM 0 H ALA B 27 -0.666 5.937 -1.248 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.119 5.194 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -1.768 3.104 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -0.739 4.536 -3.152 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.653 3.622 -1.627 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.558 3.340 0.063 1.00 0.00 N ATOM 1120 CA LEU B 28 -3.287 2.557 1.103 1.00 0.00 C ATOM 1121 C LEU B 28 -4.093 3.488 2.013 1.00 0.00 C ATOM 1122 O LEU B 28 -5.017 3.068 2.681 1.00 0.00 O ATOM 1123 CB LEU B 28 -2.196 1.842 1.897 1.00 0.00 C ATOM 1124 CG LEU B 28 -1.269 2.873 2.540 1.00 0.00 C ATOM 1125 CD1 LEU B 28 -1.263 2.678 4.057 1.00 0.00 C ATOM 1126 CD2 LEU B 28 0.151 2.690 1.999 1.00 0.00 C ATOM 0 H LEU B 28 -1.543 3.245 0.081 1.00 0.00 H new ATOM 0 HA LEU B 28 -3.999 1.858 0.664 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -2.645 1.213 2.665 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.626 1.185 1.240 1.00 0.00 H new ATOM 0 HG LEU B 28 -1.623 3.876 2.303 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -0.602 3.413 4.516 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -2.274 2.807 4.444 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.909 1.674 4.293 1.00 0.00 H new ATOM 0 HD21 LEU B 28 0.813 3.425 2.457 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.504 1.686 2.236 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.149 2.828 0.918 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.753 4.746 2.050 1.00 0.00 N ATOM 1139 CA LEU B 29 -4.506 5.692 2.923 1.00 0.00 C ATOM 1140 C LEU B 29 -5.822 6.100 2.253 1.00 0.00 C ATOM 1141 O LEU B 29 -6.800 6.389 2.914 1.00 0.00 O ATOM 1142 CB LEU B 29 -3.589 6.906 3.086 1.00 0.00 C ATOM 1143 CG LEU B 29 -2.929 6.858 4.465 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -2.032 5.623 4.561 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -2.085 8.117 4.672 1.00 0.00 C ATOM 0 H LEU B 29 -2.989 5.160 1.516 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.763 5.246 3.884 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -2.828 6.909 2.306 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.162 7.827 2.976 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.701 6.807 5.233 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.562 5.590 5.544 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.632 4.725 4.415 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.261 5.673 3.792 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.615 8.082 5.655 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.314 8.169 3.903 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.723 8.998 4.606 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.855 6.125 0.950 1.00 0.00 N ATOM 1158 CA LYS B 30 -7.111 6.514 0.245 1.00 0.00 C ATOM 1159 C LYS B 30 -8.269 5.614 0.685 1.00 0.00 C ATOM 1160 O LYS B 30 -9.219 6.060 1.294 1.00 0.00 O ATOM 1161 CB LYS B 30 -6.810 6.313 -1.242 1.00 0.00 C ATOM 1162 CG LYS B 30 -8.048 6.667 -2.067 1.00 0.00 C ATOM 1163 CD LYS B 30 -7.858 6.184 -3.506 1.00 0.00 C ATOM 1164 CE LYS B 30 -8.903 6.846 -4.410 1.00 0.00 C ATOM 1165 NZ LYS B 30 -8.992 5.958 -5.602 1.00 0.00 N ATOM 0 H LYS B 30 -5.069 5.894 0.343 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.406 7.540 0.467 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.970 6.939 -1.541 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -6.520 5.279 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -8.933 6.204 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -8.212 7.745 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -6.854 6.429 -3.853 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -7.956 5.099 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -9.866 6.929 -3.906 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -8.601 7.855 -4.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -9.689 6.344 -6.271 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -8.062 5.903 -6.064 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -9.287 5.006 -5.305 1.00 0.00 H new ATOM 1179 N ASP B 31 -8.196 4.346 0.378 1.00 0.00 N ATOM 1180 CA ASP B 31 -9.294 3.417 0.777 1.00 0.00 C ATOM 1181 C ASP B 31 -9.331 3.260 2.301 1.00 0.00 C ATOM 1182 O ASP B 31 -10.375 3.047 2.885 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.948 2.087 0.108 1.00 0.00 C ATOM 1184 CG ASP B 31 -9.152 2.206 -1.402 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -8.312 2.810 -2.049 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -10.146 1.689 -1.888 1.00 0.00 O ATOM 0 H ASP B 31 -7.425 3.914 -0.131 1.00 0.00 H new ATOM 0 HA ASP B 31 -10.275 3.783 0.474 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.915 1.817 0.326 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.577 1.292 0.509 1.00 0.00 H new ATOM 1191 N SER B 32 -8.202 3.360 2.946 1.00 0.00 N ATOM 1192 CA SER B 32 -8.175 3.212 4.429 1.00 0.00 C ATOM 1193 C SER B 32 -9.068 4.269 5.084 1.00 0.00 C ATOM 1194 O SER B 32 -9.901 3.963 5.913 1.00 0.00 O ATOM 1195 CB SER B 32 -6.713 3.428 4.821 1.00 0.00 C ATOM 1196 OG SER B 32 -6.621 3.559 6.233 1.00 0.00 O ATOM 0 H SER B 32 -7.297 3.538 2.511 1.00 0.00 H new ATOM 0 HA SER B 32 -8.546 2.240 4.753 1.00 0.00 H new ATOM 0 HB2 SER B 32 -6.106 2.589 4.482 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.322 4.322 4.335 1.00 0.00 H new ATOM 0 HG SER B 32 -5.685 3.696 6.489 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.900 5.511 4.722 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.741 6.583 5.330 1.00 0.00 C ATOM 1204 C ILE B 33 -11.227 6.294 5.080 1.00 0.00 C ATOM 1205 O ILE B 33 -12.038 6.341 5.982 1.00 0.00 O ATOM 1206 CB ILE B 33 -9.308 7.873 4.623 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -7.881 8.229 5.050 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -10.251 9.018 5.004 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -7.841 8.458 6.564 1.00 0.00 C ATOM 0 H ILE B 33 -8.219 5.830 4.033 1.00 0.00 H new ATOM 0 HA ILE B 33 -9.613 6.652 6.410 1.00 0.00 H new ATOM 0 HB ILE B 33 -9.345 7.721 3.544 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.197 7.426 4.775 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -7.547 9.125 4.527 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -9.937 9.931 4.498 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -11.268 8.767 4.703 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -10.220 9.172 6.083 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -6.825 8.711 6.867 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -8.512 9.276 6.826 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -8.157 7.550 7.078 1.00 0.00 H new ATOM 1221 N VAL B 34 -11.589 5.998 3.861 1.00 0.00 N ATOM 1222 CA VAL B 34 -13.022 5.711 3.559 1.00 0.00 C ATOM 1223 C VAL B 34 -13.539 4.580 4.453 1.00 0.00 C ATOM 1224 O VAL B 34 -14.725 4.442 4.671 1.00 0.00 O ATOM 1225 CB VAL B 34 -13.041 5.283 2.092 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -14.486 5.049 1.646 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -12.417 6.386 1.235 1.00 0.00 C ATOM 0 H VAL B 34 -10.957 5.942 3.063 1.00 0.00 H new ATOM 0 HA VAL B 34 -13.661 6.575 3.741 1.00 0.00 H new ATOM 0 HB VAL B 34 -12.471 4.361 1.974 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -14.499 4.744 0.600 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.933 4.266 2.258 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -15.056 5.971 1.762 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -12.429 6.084 0.188 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.989 7.306 1.354 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -11.388 6.555 1.552 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.657 3.769 4.972 1.00 0.00 N ATOM 1238 CA GLN B 35 -13.102 2.649 5.848 1.00 0.00 C ATOM 1239 C GLN B 35 -12.854 2.996 7.319 1.00 0.00 C ATOM 1240 O GLN B 35 -13.698 2.787 8.167 1.00 0.00 O ATOM 1241 CB GLN B 35 -12.248 1.454 5.426 1.00 0.00 C ATOM 1242 CG GLN B 35 -12.715 0.951 4.058 1.00 0.00 C ATOM 1243 CD GLN B 35 -12.039 -0.385 3.743 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -11.107 -0.779 4.415 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -12.473 -1.102 2.744 1.00 0.00 N ATOM 0 H GLN B 35 -11.649 3.834 4.827 1.00 0.00 H new ATOM 0 HA GLN B 35 -14.168 2.444 5.747 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -11.198 1.742 5.380 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -12.328 0.657 6.165 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -13.798 0.832 4.054 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -12.472 1.683 3.288 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -13.256 -0.770 2.180 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.030 -1.995 2.526 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.702 3.526 7.628 1.00 0.00 N ATOM 1255 CA LEU B 36 -11.401 3.888 9.043 1.00 0.00 C ATOM 1256 C LEU B 36 -12.395 4.939 9.545 1.00 0.00 C ATOM 1257 O LEU B 36 -12.554 5.138 10.733 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.982 4.460 9.012 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.970 3.352 9.316 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -9.199 2.820 10.733 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -9.141 2.211 8.310 1.00 0.00 C ATOM 0 H LEU B 36 -10.956 3.724 6.962 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.481 3.033 9.714 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.776 4.895 8.034 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -9.887 5.262 9.744 1.00 0.00 H new ATOM 0 HG LEU B 36 -7.961 3.756 9.239 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -8.477 2.032 10.947 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -9.074 3.631 11.451 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -10.209 2.418 10.812 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -8.420 1.423 8.528 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -10.151 1.809 8.384 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.974 2.587 7.301 1.00 0.00 H new ATOM 1273 N CYS B 37 -13.068 5.614 8.651 1.00 0.00 N ATOM 1274 CA CYS B 37 -14.053 6.648 9.081 1.00 0.00 C ATOM 1275 C CYS B 37 -15.037 6.056 10.093 1.00 0.00 C ATOM 1276 O CYS B 37 -15.456 6.712 11.027 1.00 0.00 O ATOM 1277 CB CYS B 37 -14.782 7.052 7.799 1.00 0.00 C ATOM 1278 SG CYS B 37 -15.882 8.447 8.143 1.00 0.00 S ATOM 0 H CYS B 37 -12.978 5.494 7.642 1.00 0.00 H new ATOM 0 HA CYS B 37 -13.574 7.499 9.566 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -14.061 7.325 7.029 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -15.356 6.209 7.414 1.00 0.00 H new ATOM 1283 N THR B 38 -15.407 4.816 9.916 1.00 0.00 N ATOM 1284 CA THR B 38 -16.362 4.178 10.868 1.00 0.00 C ATOM 1285 C THR B 38 -15.616 3.650 12.098 1.00 0.00 C ATOM 1286 O THR B 38 -16.215 3.336 13.107 1.00 0.00 O ATOM 1287 CB THR B 38 -16.988 3.024 10.084 1.00 0.00 C ATOM 1288 OG1 THR B 38 -17.385 3.486 8.801 1.00 0.00 O ATOM 1289 CG2 THR B 38 -18.208 2.493 10.838 1.00 0.00 C ATOM 0 H THR B 38 -15.089 4.217 9.154 1.00 0.00 H new ATOM 0 HA THR B 38 -17.112 4.880 11.232 1.00 0.00 H new ATOM 0 HB THR B 38 -16.258 2.223 9.972 1.00 0.00 H new ATOM 0 HG1 THR B 38 -17.785 2.747 8.297 1.00 0.00 H new ATOM 0 HG21 THR B 38 -18.653 1.671 10.277 1.00 0.00 H new ATOM 0 HG22 THR B 38 -17.901 2.138 11.822 1.00 0.00 H new ATOM 0 HG23 THR B 38 -18.941 3.292 10.953 1.00 0.00 H new ATOM 1297 N ALA B 39 -14.315 3.547 12.025 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.540 3.038 13.193 1.00 0.00 C ATOM 1299 C ALA B 39 -14.086 1.678 13.638 1.00 0.00 C ATOM 1300 O ALA B 39 -13.915 1.269 14.768 1.00 0.00 O ATOM 1301 CB ALA B 39 -13.742 4.082 14.292 1.00 0.00 C ATOM 0 H ALA B 39 -13.757 3.793 11.208 1.00 0.00 H new ATOM 0 HA ALA B 39 -12.485 2.896 12.957 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -13.200 3.777 15.187 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.366 5.047 13.951 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -14.804 4.167 14.522 1.00 0.00 H new ATOM 1307 N ARG B 40 -14.739 0.978 12.752 1.00 0.00 N ATOM 1308 CA ARG B 40 -15.297 -0.356 13.117 1.00 0.00 C ATOM 1309 C ARG B 40 -14.221 -1.243 13.761 1.00 0.00 C ATOM 1310 O ARG B 40 -14.436 -1.796 14.822 1.00 0.00 O ATOM 1311 CB ARG B 40 -15.769 -0.966 11.797 1.00 0.00 C ATOM 1312 CG ARG B 40 -17.208 -1.466 11.950 1.00 0.00 C ATOM 1313 CD ARG B 40 -17.658 -2.128 10.647 1.00 0.00 C ATOM 1314 NE ARG B 40 -19.048 -2.591 10.910 1.00 0.00 N ATOM 1315 CZ ARG B 40 -20.052 -1.772 10.750 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -20.385 -1.373 9.554 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -20.722 -1.352 11.787 1.00 0.00 N ATOM 0 H ARG B 40 -14.911 1.272 11.790 1.00 0.00 H new ATOM 0 HA ARG B 40 -16.105 -0.270 13.844 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -15.714 -0.224 11.001 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -15.115 -1.790 11.511 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -17.272 -2.178 12.773 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -17.869 -0.635 12.196 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -17.627 -1.424 9.815 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.008 -2.962 10.383 1.00 0.00 H new ATOM 0 HE ARG B 40 -19.216 -3.549 11.216 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -19.861 -1.701 8.743 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -21.170 -0.733 9.430 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -20.462 -1.663 12.723 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -21.506 -0.712 11.662 1.00 0.00 H new ATOM 1331 N PRO B 41 -13.096 -1.361 13.095 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.996 -2.204 13.624 1.00 0.00 C ATOM 1333 C PRO B 41 -11.276 -1.499 14.775 1.00 0.00 C ATOM 1334 O PRO B 41 -10.362 -0.726 14.570 1.00 0.00 O ATOM 1335 CB PRO B 41 -11.068 -2.375 12.423 1.00 0.00 C ATOM 1336 CG PRO B 41 -11.333 -1.194 11.547 1.00 0.00 C ATOM 1337 CD PRO B 41 -12.745 -0.735 11.814 1.00 0.00 C ATOM 0 HA PRO B 41 -12.345 -3.154 14.029 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -10.024 -2.407 12.734 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -11.273 -3.308 11.898 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -10.624 -0.394 11.759 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -11.209 -1.460 10.497 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -12.805 0.352 11.873 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -13.422 -1.049 11.019 1.00 0.00 H new ATOM 1345 N GLU B 42 -11.678 -1.767 15.989 1.00 0.00 N ATOM 1346 CA GLU B 42 -11.010 -1.118 17.153 1.00 0.00 C ATOM 1347 C GLU B 42 -9.525 -1.486 17.170 1.00 0.00 C ATOM 1348 O GLU B 42 -8.693 -0.744 17.656 1.00 0.00 O ATOM 1349 CB GLU B 42 -11.720 -1.679 18.387 1.00 0.00 C ATOM 1350 CG GLU B 42 -11.501 -3.194 18.463 1.00 0.00 C ATOM 1351 CD GLU B 42 -12.117 -3.733 19.754 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -13.066 -3.134 20.231 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -11.633 -4.742 20.243 1.00 0.00 O ATOM 0 H GLU B 42 -12.438 -2.406 16.224 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.071 -0.030 17.115 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -11.337 -1.201 19.288 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.786 -1.458 18.337 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -11.954 -3.682 17.600 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -10.435 -3.420 18.434 1.00 0.00 H new ATOM 1360 N ARG B 43 -9.187 -2.627 16.636 1.00 0.00 N ATOM 1361 CA ARG B 43 -7.757 -3.050 16.611 1.00 0.00 C ATOM 1362 C ARG B 43 -7.236 -3.040 15.169 1.00 0.00 C ATOM 1363 O ARG B 43 -7.083 -4.081 14.561 1.00 0.00 O ATOM 1364 CB ARG B 43 -7.756 -4.473 17.171 1.00 0.00 C ATOM 1365 CG ARG B 43 -8.655 -5.363 16.309 1.00 0.00 C ATOM 1366 CD ARG B 43 -9.898 -5.765 17.106 1.00 0.00 C ATOM 1367 NE ARG B 43 -9.894 -7.254 17.096 1.00 0.00 N ATOM 1368 CZ ARG B 43 -11.012 -7.908 16.945 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -11.995 -7.721 17.784 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -11.149 -8.749 15.957 1.00 0.00 N ATOM 0 H ARG B 43 -9.841 -3.287 16.215 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.115 -2.385 17.190 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.740 -4.869 17.185 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -8.111 -4.470 18.202 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -8.948 -4.832 15.403 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -8.109 -6.253 15.995 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -9.858 -5.377 18.124 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -10.805 -5.369 16.650 1.00 0.00 H new ATOM 0 HE ARG B 43 -9.017 -7.762 17.207 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -11.888 -7.064 18.557 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -12.870 -8.232 17.667 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -10.381 -8.895 15.302 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -12.024 -9.260 15.840 1.00 0.00 H new ATOM 1384 N PRO B 44 -6.983 -1.856 14.662 1.00 0.00 N ATOM 1385 CA PRO B 44 -6.480 -1.722 13.273 1.00 0.00 C ATOM 1386 C PRO B 44 -5.022 -2.186 13.174 1.00 0.00 C ATOM 1387 O PRO B 44 -4.492 -2.365 12.096 1.00 0.00 O ATOM 1388 CB PRO B 44 -6.598 -0.228 12.993 1.00 0.00 C ATOM 1389 CG PRO B 44 -6.552 0.426 14.337 1.00 0.00 C ATOM 1390 CD PRO B 44 -7.137 -0.552 15.322 1.00 0.00 C ATOM 0 HA PRO B 44 -7.034 -2.331 12.559 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -5.783 0.119 12.358 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -7.528 0.003 12.474 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -5.527 0.680 14.608 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -7.120 1.356 14.333 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -6.609 -0.522 16.275 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -8.184 -0.331 15.530 1.00 0.00 H new ATOM 1398 N MET B 45 -4.367 -2.389 14.288 1.00 0.00 N ATOM 1399 CA MET B 45 -2.947 -2.847 14.243 1.00 0.00 C ATOM 1400 C MET B 45 -2.817 -4.079 13.344 1.00 0.00 C ATOM 1401 O MET B 45 -2.014 -4.116 12.434 1.00 0.00 O ATOM 1402 CB MET B 45 -2.596 -3.197 15.689 1.00 0.00 C ATOM 1403 CG MET B 45 -2.765 -1.959 16.572 1.00 0.00 C ATOM 1404 SD MET B 45 -1.464 -1.935 17.830 1.00 0.00 S ATOM 1405 CE MET B 45 -1.253 -0.138 17.908 1.00 0.00 C ATOM 0 H MET B 45 -4.753 -2.258 15.223 1.00 0.00 H new ATOM 0 HA MET B 45 -2.281 -2.086 13.836 1.00 0.00 H new ATOM 0 HB2 MET B 45 -3.240 -4.001 16.046 1.00 0.00 H new ATOM 0 HB3 MET B 45 -1.570 -3.560 15.747 1.00 0.00 H new ATOM 0 HG2 MET B 45 -2.715 -1.056 15.964 1.00 0.00 H new ATOM 0 HG3 MET B 45 -3.746 -1.969 17.048 1.00 0.00 H new ATOM 0 HE1 MET B 45 -0.481 0.106 18.638 1.00 0.00 H new ATOM 0 HE2 MET B 45 -0.957 0.236 16.928 1.00 0.00 H new ATOM 0 HE3 MET B 45 -2.193 0.326 18.205 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.609 -5.088 13.587 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.536 -6.314 12.743 1.00 0.00 C ATOM 1417 C ALA B 46 -4.311 -6.099 11.439 1.00 0.00 C ATOM 1418 O ALA B 46 -4.078 -6.762 10.448 1.00 0.00 O ATOM 1419 CB ALA B 46 -4.190 -7.415 13.580 1.00 0.00 C ATOM 0 H ALA B 46 -4.303 -5.116 14.334 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.512 -6.568 12.469 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -4.175 -8.352 13.024 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.640 -7.538 14.513 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -5.222 -7.141 13.800 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.231 -5.175 11.434 1.00 0.00 N ATOM 1426 CA PHE B 47 -6.020 -4.913 10.198 1.00 0.00 C ATOM 1427 C PHE B 47 -5.078 -4.627 9.026 1.00 0.00 C ATOM 1428 O PHE B 47 -5.354 -4.980 7.898 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.868 -3.683 10.519 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.892 -3.474 9.429 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.810 -4.501 9.116 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -7.934 -2.251 8.724 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.769 -4.306 8.098 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.893 -2.055 7.705 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.811 -3.081 7.393 1.00 0.00 C ATOM 0 H PHE B 47 -5.471 -4.589 12.234 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.636 -5.765 9.912 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.366 -3.813 11.480 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -6.231 -2.803 10.607 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -8.778 -5.436 9.656 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -7.233 -1.465 8.964 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.470 -5.092 7.858 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -8.924 -1.120 7.165 1.00 0.00 H new ATOM 0 HZ PHE B 47 -10.546 -2.930 6.616 1.00 0.00 H new ATOM 1445 N LEU B 48 -3.965 -3.993 9.284 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.006 -3.689 8.183 1.00 0.00 C ATOM 1447 C LEU B 48 -2.714 -4.954 7.370 1.00 0.00 C ATOM 1448 O LEU B 48 -2.779 -4.952 6.156 1.00 0.00 O ATOM 1449 CB LEU B 48 -1.737 -3.200 8.884 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.758 -1.673 8.966 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -0.515 -1.187 9.710 1.00 0.00 C ATOM 1452 CD2 LEU B 48 -1.766 -1.087 7.553 1.00 0.00 C ATOM 0 H LEU B 48 -3.679 -3.673 10.209 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.400 -2.947 7.488 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -1.673 -3.628 9.884 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.855 -3.534 8.338 1.00 0.00 H new ATOM 0 HG LEU B 48 -2.652 -1.350 9.499 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -0.529 -0.099 9.769 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -0.507 -1.605 10.717 1.00 0.00 H new ATOM 0 HD13 LEU B 48 0.378 -1.510 9.176 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -1.781 0.001 7.611 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -0.872 -1.410 7.020 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -2.651 -1.434 7.020 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.399 -6.032 8.031 1.00 0.00 N ATOM 1465 CA ARG B 49 -2.112 -7.296 7.297 1.00 0.00 C ATOM 1466 C ARG B 49 -3.340 -7.723 6.492 1.00 0.00 C ATOM 1467 O ARG B 49 -3.255 -8.003 5.315 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.794 -8.324 8.382 1.00 0.00 C ATOM 1469 CG ARG B 49 -1.487 -9.675 7.731 1.00 0.00 C ATOM 1470 CD ARG B 49 -1.983 -10.803 8.637 1.00 0.00 C ATOM 1471 NE ARG B 49 -1.674 -12.055 7.892 1.00 0.00 N ATOM 1472 CZ ARG B 49 -2.560 -13.011 7.825 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -3.202 -13.382 8.898 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -2.803 -13.594 6.683 1.00 0.00 N ATOM 0 H ARG B 49 -2.328 -6.093 9.047 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.289 -7.188 6.590 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -0.941 -7.992 8.974 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -2.638 -8.421 9.065 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -1.970 -9.739 6.756 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -0.415 -9.774 7.563 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -1.480 -10.784 9.604 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -3.052 -10.713 8.832 1.00 0.00 H new ATOM 0 HE ARG B 49 -0.769 -12.165 7.434 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -3.012 -12.925 9.790 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -3.894 -14.129 8.845 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -2.301 -13.302 5.844 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -3.495 -14.341 6.629 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.484 -7.769 7.119 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.720 -8.178 6.387 1.00 0.00 C ATOM 1490 C GLU B 50 -6.314 -6.991 5.613 1.00 0.00 C ATOM 1491 O GLU B 50 -7.395 -7.081 5.062 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.684 -8.644 7.478 1.00 0.00 C ATOM 1493 CG GLU B 50 -6.323 -10.068 7.904 1.00 0.00 C ATOM 1494 CD GLU B 50 -7.502 -10.693 8.652 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -8.381 -11.223 7.995 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -7.503 -10.632 9.870 1.00 0.00 O ATOM 0 H GLU B 50 -4.618 -7.542 8.104 1.00 0.00 H new ATOM 0 HA GLU B 50 -5.521 -8.957 5.651 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -6.632 -7.973 8.335 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -7.709 -8.612 7.110 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -6.075 -10.669 7.029 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -5.440 -10.055 8.543 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.624 -5.882 5.564 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.158 -4.702 4.826 1.00 0.00 C ATOM 1505 C TYR B 51 -5.696 -4.739 3.364 1.00 0.00 C ATOM 1506 O TYR B 51 -6.493 -4.863 2.455 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.572 -3.487 5.554 1.00 0.00 C ATOM 1508 CG TYR B 51 -5.864 -2.225 4.775 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.170 -1.685 4.765 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -4.830 -1.587 4.055 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.440 -0.506 4.034 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -5.100 -0.409 3.324 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.405 0.133 3.313 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.669 1.283 2.599 1.00 0.00 O ATOM 0 H TYR B 51 -4.714 -5.743 6.003 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.248 -4.678 4.808 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -5.998 -3.413 6.555 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.495 -3.609 5.674 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -7.961 -2.173 5.315 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -3.832 -2.000 4.063 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.438 -0.093 4.026 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.309 0.078 2.773 1.00 0.00 H new ATOM 0 HH TYR B 51 -5.832 1.765 2.433 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.417 -4.625 3.132 1.00 0.00 N ATOM 1525 CA PHE B 52 -3.909 -4.644 1.731 1.00 0.00 C ATOM 1526 C PHE B 52 -3.755 -6.084 1.231 1.00 0.00 C ATOM 1527 O PHE B 52 -3.829 -6.349 0.048 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.550 -3.945 1.790 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.434 -2.974 0.639 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -3.011 -1.689 0.740 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -1.747 -3.351 -0.536 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -2.903 -0.778 -0.335 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -1.639 -2.440 -1.613 1.00 0.00 C ATOM 1534 CZ PHE B 52 -2.217 -1.155 -1.512 1.00 0.00 C ATOM 0 H PHE B 52 -3.702 -4.520 3.852 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.593 -4.148 1.043 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.441 -3.417 2.738 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.748 -4.681 1.741 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -3.535 -1.402 1.640 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -1.305 -4.333 -0.612 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -3.344 0.205 -0.257 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -1.115 -2.727 -2.512 1.00 0.00 H new ATOM 0 HZ PHE B 52 -2.135 -0.460 -2.335 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.538 -7.019 2.119 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.382 -8.436 1.676 1.00 0.00 C ATOM 1546 C GLU B 53 -4.646 -8.907 0.952 1.00 0.00 C ATOM 1547 O GLU B 53 -4.584 -9.456 -0.130 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.170 -9.234 2.963 1.00 0.00 C ATOM 1549 CG GLU B 53 -2.967 -10.711 2.624 1.00 0.00 C ATOM 1550 CD GLU B 53 -3.500 -11.576 3.768 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -4.569 -11.267 4.268 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -2.829 -12.530 4.125 1.00 0.00 O ATOM 0 H GLU B 53 -3.463 -6.865 3.124 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.553 -8.561 0.979 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.303 -8.852 3.501 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.031 -9.117 3.621 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -3.485 -10.957 1.697 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.909 -10.916 2.462 1.00 0.00 H new ATOM 1559 N LYS B 54 -5.790 -8.696 1.542 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.057 -9.130 0.886 1.00 0.00 C ATOM 1561 C LYS B 54 -7.416 -8.169 -0.250 1.00 0.00 C ATOM 1562 O LYS B 54 -7.995 -8.557 -1.245 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.115 -9.074 1.989 1.00 0.00 C ATOM 1564 CG LYS B 54 -8.171 -10.422 2.713 1.00 0.00 C ATOM 1565 CD LYS B 54 -8.491 -10.196 4.192 1.00 0.00 C ATOM 1566 CE LYS B 54 -9.712 -11.031 4.585 1.00 0.00 C ATOM 1567 NZ LYS B 54 -10.822 -10.048 4.716 1.00 0.00 N ATOM 0 H LYS B 54 -5.903 -8.243 2.449 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.977 -10.126 0.450 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.877 -8.279 2.696 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -9.089 -8.838 1.561 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -8.930 -11.059 2.259 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -7.218 -10.941 2.612 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -7.635 -10.474 4.807 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -8.686 -9.139 4.375 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -9.937 -11.782 3.828 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -9.542 -11.563 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -11.696 -10.545 4.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -10.582 -9.349 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -10.965 -9.562 3.807 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.079 -6.917 -0.108 1.00 0.00 N ATOM 1582 CA LEU B 55 -7.401 -5.931 -1.181 1.00 0.00 C ATOM 1583 C LEU B 55 -6.779 -6.369 -2.509 1.00 0.00 C ATOM 1584 O LEU B 55 -7.472 -6.667 -3.461 1.00 0.00 O ATOM 1585 CB LEU B 55 -6.779 -4.613 -0.710 1.00 0.00 C ATOM 1586 CG LEU B 55 -7.889 -3.645 -0.291 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -7.268 -2.378 0.302 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -8.730 -3.273 -1.516 1.00 0.00 C ATOM 0 H LEU B 55 -6.595 -6.533 0.704 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.475 -5.841 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -6.106 -4.795 0.128 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -6.182 -4.174 -1.509 1.00 0.00 H new ATOM 0 HG LEU B 55 -8.523 -4.123 0.456 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -8.059 -1.690 0.600 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -6.668 -2.640 1.174 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -6.634 -1.900 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -9.521 -2.584 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -8.095 -2.796 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -9.174 -4.174 -1.940 1.00 0.00 H new ATOM 1600 N GLU B 56 -5.477 -6.413 -2.579 1.00 0.00 N ATOM 1601 CA GLU B 56 -4.813 -6.832 -3.847 1.00 0.00 C ATOM 1602 C GLU B 56 -5.346 -8.192 -4.302 1.00 0.00 C ATOM 1603 O GLU B 56 -5.379 -8.496 -5.477 1.00 0.00 O ATOM 1604 CB GLU B 56 -3.326 -6.928 -3.502 1.00 0.00 C ATOM 1605 CG GLU B 56 -2.509 -7.018 -4.793 1.00 0.00 C ATOM 1606 CD GLU B 56 -1.023 -7.142 -4.449 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -0.577 -8.257 -4.232 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -0.358 -6.121 -4.411 1.00 0.00 O ATOM 0 H GLU B 56 -4.844 -6.177 -1.814 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.000 -6.131 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.019 -6.056 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.142 -7.804 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.830 -7.878 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -2.679 -6.133 -5.406 1.00 0.00 H new ATOM 1615 N LYS B 57 -5.768 -9.013 -3.379 1.00 0.00 N ATOM 1616 CA LYS B 57 -6.300 -10.354 -3.760 1.00 0.00 C ATOM 1617 C LYS B 57 -7.705 -10.217 -4.352 1.00 0.00 C ATOM 1618 O LYS B 57 -8.128 -11.017 -5.163 1.00 0.00 O ATOM 1619 CB LYS B 57 -6.342 -11.151 -2.457 1.00 0.00 C ATOM 1620 CG LYS B 57 -6.759 -12.593 -2.753 1.00 0.00 C ATOM 1621 CD LYS B 57 -6.071 -13.537 -1.768 1.00 0.00 C ATOM 1622 CE LYS B 57 -4.805 -14.110 -2.410 1.00 0.00 C ATOM 1623 NZ LYS B 57 -4.963 -15.588 -2.316 1.00 0.00 N ATOM 0 H LYS B 57 -5.768 -8.814 -2.379 1.00 0.00 H new ATOM 0 HA LYS B 57 -5.684 -10.842 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -5.363 -11.136 -1.977 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -7.045 -10.694 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -7.841 -12.693 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -6.489 -12.858 -3.775 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -5.817 -13.003 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -6.748 -14.345 -1.489 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -4.707 -13.788 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -3.910 -13.774 -1.887 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -4.133 -16.053 -2.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -5.047 -15.865 -1.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -5.820 -15.879 -2.829 1.00 0.00 H new ATOM 1637 N GLU B 58 -8.433 -9.211 -3.950 1.00 0.00 N ATOM 1638 CA GLU B 58 -9.810 -9.026 -4.488 1.00 0.00 C ATOM 1639 C GLU B 58 -9.758 -8.339 -5.856 1.00 0.00 C ATOM 1640 O GLU B 58 -10.254 -7.244 -6.031 1.00 0.00 O ATOM 1641 CB GLU B 58 -10.516 -8.132 -3.467 1.00 0.00 C ATOM 1642 CG GLU B 58 -12.027 -8.345 -3.562 1.00 0.00 C ATOM 1643 CD GLU B 58 -12.599 -8.586 -2.164 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -12.082 -8.002 -1.227 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -13.543 -9.350 -2.055 1.00 0.00 O ATOM 0 H GLU B 58 -8.134 -8.510 -3.273 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.328 -9.974 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.168 -8.365 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -10.273 -7.086 -3.654 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -12.500 -7.473 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -12.245 -9.196 -4.207 1.00 0.00 H new ATOM 1652 N GLU B 59 -9.161 -8.974 -6.827 1.00 0.00 N ATOM 1653 CA GLU B 59 -9.079 -8.358 -8.183 1.00 0.00 C ATOM 1654 C GLU B 59 -10.483 -8.163 -8.759 1.00 0.00 C ATOM 1655 O GLU B 59 -11.473 -8.284 -8.065 1.00 0.00 O ATOM 1656 CB GLU B 59 -8.288 -9.360 -9.025 1.00 0.00 C ATOM 1657 CG GLU B 59 -9.019 -10.706 -9.036 1.00 0.00 C ATOM 1658 CD GLU B 59 -8.020 -11.830 -8.750 1.00 0.00 C ATOM 1659 OE1 GLU B 59 -7.453 -11.831 -7.670 1.00 0.00 O ATOM 1660 OE2 GLU B 59 -7.842 -12.672 -9.615 1.00 0.00 O ATOM 0 H GLU B 59 -8.726 -9.893 -6.741 1.00 0.00 H new ATOM 0 HA GLU B 59 -8.604 -7.377 -8.164 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -8.175 -8.987 -10.043 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -7.285 -9.482 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -9.810 -10.709 -8.286 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -9.496 -10.866 -10.003 1.00 0.00 H new ATOM 1667 N ALA B 60 -10.578 -7.860 -10.025 1.00 0.00 N ATOM 1668 CA ALA B 60 -11.918 -7.657 -10.646 1.00 0.00 C ATOM 1669 C ALA B 60 -12.295 -8.872 -11.496 1.00 0.00 C ATOM 1670 O ALA B 60 -11.550 -9.826 -11.597 1.00 0.00 O ATOM 1671 CB ALA B 60 -11.763 -6.414 -11.524 1.00 0.00 C ATOM 0 H ALA B 60 -9.785 -7.744 -10.656 1.00 0.00 H new ATOM 0 HA ALA B 60 -12.705 -7.534 -9.902 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -12.710 -6.197 -12.018 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -11.474 -5.565 -10.905 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -10.994 -6.593 -12.276 1.00 0.00 H new ATOM 1677 N LYS B 61 -13.448 -8.845 -12.108 1.00 0.00 N ATOM 1678 CA LYS B 61 -13.871 -10.000 -12.951 1.00 0.00 C ATOM 1679 C LYS B 61 -13.327 -9.844 -14.374 1.00 0.00 C ATOM 1680 O LYS B 61 -12.757 -10.798 -14.878 1.00 0.00 O ATOM 1681 CB LYS B 61 -15.398 -9.953 -12.954 1.00 0.00 C ATOM 1682 CG LYS B 61 -15.953 -11.376 -13.023 1.00 0.00 C ATOM 1683 CD LYS B 61 -17.451 -11.355 -12.711 1.00 0.00 C ATOM 1684 CE LYS B 61 -17.879 -12.722 -12.168 1.00 0.00 C ATOM 1685 NZ LYS B 61 -19.255 -12.509 -11.636 1.00 0.00 N ATOM 1686 OXT LYS B 61 -13.491 -8.773 -14.935 1.00 0.00 O ATOM 0 H LYS B 61 -14.114 -8.074 -12.061 1.00 0.00 H new ATOM 0 HA LYS B 61 -13.494 -10.948 -12.568 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -15.759 -9.454 -12.054 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -15.753 -9.371 -13.805 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -15.783 -11.796 -14.014 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -15.431 -12.016 -12.311 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -17.670 -10.577 -11.980 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -18.017 -11.116 -13.611 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -17.871 -13.479 -12.952 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -17.202 -13.066 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -19.618 -13.402 -11.246 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -19.230 -11.788 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -19.878 -12.188 -12.404 1.00 0.00 H new TER 1700 LYS B 61