USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 HIS : no HD1:sc= -0.523 X(o=0.22,f=0.58) USER MOD Set 1.2: A 61 SER OG : rot 4:sc= 0.747 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.696 K(o=-1.7,f=-6.7!) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.992 K(o=-1.7,f=-3.2!) USER MOD Single : A 6 MET CE :methyl 172:sc= 0 (180deg=-0.0489) USER MOD Single : A 8 GLN : amide:sc= -1.04 K(o=-1,f=-2.1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 120:sc= 0.213 USER MOD Single : A 17 ASN : amide:sc= -0.0586 X(o=-0.059,f=0.27) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= -0.0281 (180deg=-0.179) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00204 USER MOD Single : A 24 ASN : amide:sc= -1.49 X(o=-1.5,f=-1.2!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0886 USER MOD Single : A 33 SER OG : rot 131:sc= 0.702 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc=-0.00405 (180deg=-0.166) USER MOD Single : A 42 ASN : amide:sc= -1.75 K(o=-1.8,f=-0.99) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc=-0.00354 (180deg=-0.155) USER MOD Single : A 51 HIS : no HD1:sc= -0.0667 K(o=-0.067,f=-1.1) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 119:sc= -0.272! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -106:sc= 1.09 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 27:sc= 0.095 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -154:sc= 2.06 USER MOD Single : A 75 LYS NZ :NH3+ 139:sc= -2.31! (180deg=-4.17!) USER MOD Single : A 78 TYR OH : rot -166:sc= 0.497 USER MOD Single : A 83 ASN : amide:sc= -0.0187 K(o=-0.019,f=-1.4) USER MOD Single : A 84 HIS : no HD1:sc= -5.03! C(o=-5!,f=-8.9!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -6:sc= 1.08 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= -0.122 (180deg=-0.595) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -152:sc= -0.0186 (180deg=-1.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.105 -7.698 7.000 1.00 0.00 N ATOM 2 CA MET A 6 4.660 -7.615 6.906 1.00 0.00 C ATOM 3 C MET A 6 4.239 -6.154 6.880 1.00 0.00 C ATOM 4 O MET A 6 4.808 -5.328 7.591 1.00 0.00 O ATOM 5 CB MET A 6 4.003 -8.343 8.084 1.00 0.00 C ATOM 6 CG MET A 6 2.483 -8.323 8.039 1.00 0.00 C ATOM 7 SD MET A 6 1.826 -9.019 6.510 1.00 0.00 S ATOM 8 CE MET A 6 0.066 -8.880 6.807 1.00 0.00 C ATOM 0 HA MET A 6 4.332 -8.098 5.986 1.00 0.00 H new ATOM 0 HB2 MET A 6 4.344 -9.378 8.097 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.337 -7.885 9.015 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.091 -8.884 8.887 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.133 -7.296 8.146 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.478 -9.136 5.898 1.00 0.00 H new ATOM 0 HE2 MET A 6 -0.223 -9.562 7.607 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.174 -7.857 7.097 1.00 0.00 H new ATOM 17 N ILE A 7 3.263 -5.835 6.049 1.00 0.00 N ATOM 18 CA ILE A 7 2.784 -4.468 5.929 1.00 0.00 C ATOM 19 C ILE A 7 1.597 -4.270 6.860 1.00 0.00 C ATOM 20 O ILE A 7 0.859 -5.213 7.134 1.00 0.00 O ATOM 21 CB ILE A 7 2.330 -4.137 4.478 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.295 -4.690 3.421 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.169 -2.638 4.278 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.941 -6.089 2.936 1.00 0.00 C ATOM 0 H ILE A 7 2.785 -6.505 5.446 1.00 0.00 H new ATOM 0 HA ILE A 7 3.608 -3.805 6.193 1.00 0.00 H new ATOM 0 HB ILE A 7 1.365 -4.626 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.310 -4.013 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.303 -4.704 3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.851 -2.440 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.419 -2.257 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.121 -2.142 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.669 -6.411 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.954 -6.780 3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.946 -6.079 2.491 1.00 0.00 H new ATOM 36 N GLN A 8 1.435 -3.062 7.379 1.00 0.00 N ATOM 37 CA GLN A 8 0.273 -2.730 8.184 1.00 0.00 C ATOM 38 C GLN A 8 -0.482 -1.575 7.520 1.00 0.00 C ATOM 39 O GLN A 8 -0.015 -0.435 7.526 1.00 0.00 O ATOM 40 CB GLN A 8 0.694 -2.354 9.617 1.00 0.00 C ATOM 41 CG GLN A 8 1.409 -3.476 10.396 1.00 0.00 C ATOM 42 CD GLN A 8 2.787 -3.814 9.855 1.00 0.00 C ATOM 43 OE1 GLN A 8 3.494 -2.952 9.327 1.00 0.00 O ATOM 44 NE2 GLN A 8 3.185 -5.068 9.983 1.00 0.00 N ATOM 0 H GLN A 8 2.096 -2.295 7.256 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.382 -3.599 8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.352 -1.486 9.571 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.193 -2.052 10.174 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.502 -3.179 11.441 1.00 0.00 H new ATOM 0 HG3 GLN A 8 0.790 -4.373 10.374 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.574 -5.754 10.425 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.103 -5.349 9.640 1.00 0.00 H new ATOM 53 N VAL A 9 -1.630 -1.878 6.919 1.00 0.00 N ATOM 54 CA VAL A 9 -2.404 -0.867 6.198 1.00 0.00 C ATOM 55 C VAL A 9 -3.436 -0.197 7.090 1.00 0.00 C ATOM 56 O VAL A 9 -3.965 -0.806 8.020 1.00 0.00 O ATOM 57 CB VAL A 9 -3.124 -1.446 4.956 1.00 0.00 C ATOM 58 CG1 VAL A 9 -2.152 -1.622 3.806 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.791 -2.768 5.297 1.00 0.00 C ATOM 0 H VAL A 9 -2.044 -2.810 6.916 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.674 -0.127 5.869 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.894 -0.740 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.679 -2.030 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.720 -0.656 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.357 -2.306 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.293 -3.161 4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.037 -3.480 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.523 -2.613 6.090 1.00 0.00 H new ATOM 69 N TYR A 10 -3.727 1.054 6.762 1.00 0.00 N ATOM 70 CA TYR A 10 -4.638 1.896 7.526 1.00 0.00 C ATOM 71 C TYR A 10 -5.306 2.876 6.578 1.00 0.00 C ATOM 72 O TYR A 10 -5.112 2.810 5.360 1.00 0.00 O ATOM 73 CB TYR A 10 -3.895 2.706 8.601 1.00 0.00 C ATOM 74 CG TYR A 10 -3.332 1.898 9.764 1.00 0.00 C ATOM 75 CD1 TYR A 10 -2.023 2.097 10.194 1.00 0.00 C ATOM 76 CD2 TYR A 10 -4.101 0.945 10.433 1.00 0.00 C ATOM 77 CE1 TYR A 10 -1.496 1.372 11.246 1.00 0.00 C ATOM 78 CE2 TYR A 10 -3.576 0.215 11.489 1.00 0.00 C ATOM 79 CZ TYR A 10 -2.274 0.434 11.888 1.00 0.00 C ATOM 80 OH TYR A 10 -1.748 -0.289 12.934 1.00 0.00 O ATOM 0 H TYR A 10 -3.331 1.520 5.946 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.366 1.249 8.015 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.075 3.242 8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.577 3.457 9.000 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.408 2.832 9.696 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.121 0.773 10.124 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.478 1.540 11.564 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.183 -0.521 11.996 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.426 -0.907 13.278 1.00 0.00 H new ATOM 90 N SER A 11 -6.099 3.774 7.127 1.00 0.00 N ATOM 91 CA SER A 11 -6.646 4.877 6.357 1.00 0.00 C ATOM 92 C SER A 11 -6.577 6.170 7.157 1.00 0.00 C ATOM 93 O SER A 11 -6.439 6.150 8.378 1.00 0.00 O ATOM 94 CB SER A 11 -8.094 4.590 5.977 1.00 0.00 C ATOM 95 OG SER A 11 -8.184 3.419 5.183 1.00 0.00 O ATOM 0 H SER A 11 -6.381 3.763 8.107 1.00 0.00 H new ATOM 0 HA SER A 11 -6.052 4.988 5.450 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.694 4.470 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.506 5.438 5.430 1.00 0.00 H new ATOM 0 HG SER A 11 -8.747 2.758 5.637 1.00 0.00 H new ATOM 101 N ARG A 12 -6.665 7.297 6.460 1.00 0.00 N ATOM 102 CA ARG A 12 -6.623 8.599 7.118 1.00 0.00 C ATOM 103 C ARG A 12 -8.014 9.016 7.584 1.00 0.00 C ATOM 104 O ARG A 12 -8.159 9.908 8.417 1.00 0.00 O ATOM 105 CB ARG A 12 -6.064 9.670 6.175 1.00 0.00 C ATOM 106 CG ARG A 12 -4.879 10.443 6.744 1.00 0.00 C ATOM 107 CD ARG A 12 -5.047 10.750 8.227 1.00 0.00 C ATOM 108 NE ARG A 12 -4.473 9.698 9.074 1.00 0.00 N ATOM 109 CZ ARG A 12 -4.885 9.421 10.314 1.00 0.00 C ATOM 110 NH1 ARG A 12 -5.886 10.102 10.859 1.00 0.00 N ATOM 111 NH2 ARG A 12 -4.290 8.460 11.006 1.00 0.00 N ATOM 0 H ARG A 12 -6.765 7.337 5.446 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.967 8.508 7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.760 9.195 5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.859 10.374 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.967 9.865 6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.759 11.376 6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.568 11.702 8.457 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.107 10.862 8.456 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.709 9.142 8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.346 10.843 10.330 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.195 9.884 11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.520 7.935 10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.602 8.246 11.953 1.00 0.00 H new ATOM 125 N HIS A 13 -9.032 8.374 7.032 1.00 0.00 N ATOM 126 CA HIS A 13 -10.414 8.744 7.306 1.00 0.00 C ATOM 127 C HIS A 13 -11.234 7.504 7.651 1.00 0.00 C ATOM 128 O HIS A 13 -10.845 6.387 7.306 1.00 0.00 O ATOM 129 CB HIS A 13 -11.022 9.436 6.079 1.00 0.00 C ATOM 130 CG HIS A 13 -10.148 10.492 5.471 1.00 0.00 C ATOM 131 ND1 HIS A 13 -9.549 10.304 4.248 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.810 11.714 5.946 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.864 11.406 4.008 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.990 12.288 5.007 1.00 0.00 N ATOM 0 H HIS A 13 -8.927 7.590 6.388 1.00 0.00 H new ATOM 0 HA HIS A 13 -10.431 9.429 8.154 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -11.241 8.682 5.323 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.972 9.887 6.364 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.124 12.152 6.882 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.276 11.575 3.118 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.559 13.211 5.060 1.00 0.00 H new ATOM 142 N PRO A 14 -12.379 7.685 8.337 1.00 0.00 N ATOM 143 CA PRO A 14 -13.284 6.580 8.687 1.00 0.00 C ATOM 144 C PRO A 14 -13.983 6.016 7.447 1.00 0.00 C ATOM 145 O PRO A 14 -14.492 6.777 6.619 1.00 0.00 O ATOM 146 CB PRO A 14 -14.318 7.222 9.623 1.00 0.00 C ATOM 147 CG PRO A 14 -13.757 8.568 9.980 1.00 0.00 C ATOM 148 CD PRO A 14 -12.888 8.977 8.823 1.00 0.00 C ATOM 0 HA PRO A 14 -12.749 5.747 9.143 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.286 7.318 9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.472 6.613 10.514 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.555 9.292 10.143 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.179 8.517 10.903 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.455 9.505 8.056 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.081 9.640 9.136 1.00 0.00 H new ATOM 156 N ALA A 15 -14.005 4.691 7.329 1.00 0.00 N ATOM 157 CA ALA A 15 -14.584 4.006 6.167 1.00 0.00 C ATOM 158 C ALA A 15 -16.049 4.371 5.943 1.00 0.00 C ATOM 159 O ALA A 15 -16.921 3.914 6.684 1.00 0.00 O ATOM 160 CB ALA A 15 -14.473 2.491 6.342 1.00 0.00 C ATOM 0 H ALA A 15 -13.624 4.059 8.033 1.00 0.00 H new ATOM 0 HA ALA A 15 -14.018 4.333 5.295 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.905 1.992 5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.424 2.211 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.011 2.188 7.240 1.00 0.00 H new ATOM 166 N GLU A 16 -16.328 5.188 4.931 1.00 0.00 N ATOM 167 CA GLU A 16 -17.711 5.447 4.544 1.00 0.00 C ATOM 168 C GLU A 16 -17.981 4.909 3.144 1.00 0.00 C ATOM 169 O GLU A 16 -17.310 5.303 2.189 1.00 0.00 O ATOM 170 CB GLU A 16 -18.035 6.940 4.591 1.00 0.00 C ATOM 171 CG GLU A 16 -18.630 7.396 5.903 1.00 0.00 C ATOM 172 CD GLU A 16 -19.946 6.714 6.212 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.070 6.122 7.304 1.00 0.00 O ATOM 174 OE2 GLU A 16 -20.859 6.767 5.364 1.00 0.00 O ATOM 0 H GLU A 16 -15.627 5.675 4.372 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.353 4.934 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -17.123 7.506 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.731 7.176 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.923 7.195 6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.782 8.475 5.874 1.00 0.00 H new ATOM 181 N ASN A 17 -18.945 3.998 3.028 1.00 0.00 N ATOM 182 CA ASN A 17 -19.337 3.459 1.731 1.00 0.00 C ATOM 183 C ASN A 17 -19.853 4.581 0.821 1.00 0.00 C ATOM 184 O ASN A 17 -20.880 5.201 1.101 1.00 0.00 O ATOM 185 CB ASN A 17 -20.395 2.344 1.916 1.00 0.00 C ATOM 186 CG ASN A 17 -21.084 1.942 0.620 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.493 1.979 -0.457 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.344 1.550 0.720 1.00 0.00 N ATOM 0 H ASN A 17 -19.468 3.619 3.817 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.465 3.017 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.915 1.467 2.351 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.147 2.682 2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.857 1.266 -0.114 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.802 1.532 1.631 1.00 0.00 H new ATOM 195 N GLY A 18 -19.100 4.852 -0.243 1.00 0.00 N ATOM 196 CA GLY A 18 -19.480 5.884 -1.204 1.00 0.00 C ATOM 197 C GLY A 18 -18.533 7.071 -1.243 1.00 0.00 C ATOM 198 O GLY A 18 -18.624 7.897 -2.151 1.00 0.00 O ATOM 0 H GLY A 18 -18.226 4.373 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.530 5.440 -2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.482 6.239 -0.963 1.00 0.00 H new ATOM 202 N LYS A 19 -17.629 7.186 -0.274 1.00 0.00 N ATOM 203 CA LYS A 19 -16.690 8.311 -0.273 1.00 0.00 C ATOM 204 C LYS A 19 -15.375 7.918 -0.909 1.00 0.00 C ATOM 205 O LYS A 19 -14.988 6.750 -0.893 1.00 0.00 O ATOM 206 CB LYS A 19 -16.371 8.804 1.142 1.00 0.00 C ATOM 207 CG LYS A 19 -17.544 8.898 2.101 1.00 0.00 C ATOM 208 CD LYS A 19 -18.646 9.835 1.641 1.00 0.00 C ATOM 209 CE LYS A 19 -18.162 11.274 1.481 1.00 0.00 C ATOM 210 NZ LYS A 19 -17.541 11.808 2.725 1.00 0.00 N ATOM 0 H LYS A 19 -17.524 6.534 0.503 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.181 9.104 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.626 8.138 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.911 9.789 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.964 7.902 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.180 9.232 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.045 9.482 0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.465 9.808 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.438 11.322 0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.003 11.907 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.368 12.828 2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.182 11.649 3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.639 11.321 2.900 1.00 0.00 H new ATOM 224 N SER A 20 -14.698 8.902 -1.466 1.00 0.00 N ATOM 225 CA SER A 20 -13.328 8.725 -1.883 1.00 0.00 C ATOM 226 C SER A 20 -12.389 9.315 -0.842 1.00 0.00 C ATOM 227 O SER A 20 -12.671 10.363 -0.250 1.00 0.00 O ATOM 228 CB SER A 20 -13.081 9.320 -3.268 1.00 0.00 C ATOM 229 OG SER A 20 -13.836 10.504 -3.462 1.00 0.00 O ATOM 0 H SER A 20 -15.078 9.833 -1.639 1.00 0.00 H new ATOM 0 HA SER A 20 -13.126 7.657 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.020 9.539 -3.388 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.344 8.589 -4.032 1.00 0.00 H new ATOM 0 HG SER A 20 -13.657 10.864 -4.356 1.00 0.00 H new ATOM 235 N ASN A 21 -11.280 8.632 -0.633 1.00 0.00 N ATOM 236 CA ASN A 21 -10.318 8.954 0.417 1.00 0.00 C ATOM 237 C ASN A 21 -8.977 8.391 -0.032 1.00 0.00 C ATOM 238 O ASN A 21 -8.814 8.063 -1.207 1.00 0.00 O ATOM 239 CB ASN A 21 -10.706 8.318 1.762 1.00 0.00 C ATOM 240 CG ASN A 21 -12.125 8.603 2.240 1.00 0.00 C ATOM 241 OD1 ASN A 21 -13.087 7.980 1.792 1.00 0.00 O ATOM 242 ND2 ASN A 21 -12.260 9.490 3.207 1.00 0.00 N ATOM 0 H ASN A 21 -11.013 7.823 -1.194 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.285 10.033 0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.578 7.238 1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.008 8.667 2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.181 9.675 3.604 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.443 9.991 3.557 1.00 0.00 H new ATOM 249 N PHE A 22 -8.033 8.225 0.884 1.00 0.00 N ATOM 250 CA PHE A 22 -6.699 7.760 0.512 1.00 0.00 C ATOM 251 C PHE A 22 -6.330 6.487 1.272 1.00 0.00 C ATOM 252 O PHE A 22 -6.431 6.447 2.503 1.00 0.00 O ATOM 253 CB PHE A 22 -5.661 8.855 0.797 1.00 0.00 C ATOM 254 CG PHE A 22 -5.784 10.063 -0.093 1.00 0.00 C ATOM 255 CD1 PHE A 22 -6.077 9.915 -1.439 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.598 11.343 0.411 1.00 0.00 C ATOM 257 CE1 PHE A 22 -6.185 11.016 -2.266 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.705 12.448 -0.413 1.00 0.00 C ATOM 259 CZ PHE A 22 -6.000 12.284 -1.753 1.00 0.00 C ATOM 0 H PHE A 22 -8.161 8.402 1.880 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.704 7.535 -0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.757 9.171 1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.662 8.433 0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.223 8.926 -1.847 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.367 11.477 1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.414 10.885 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.558 13.439 -0.010 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.086 13.146 -2.398 1.00 0.00 H new ATOM 269 N LEU A 23 -5.906 5.446 0.545 1.00 0.00 N ATOM 270 CA LEU A 23 -5.468 4.198 1.187 1.00 0.00 C ATOM 271 C LEU A 23 -4.004 4.320 1.580 1.00 0.00 C ATOM 272 O LEU A 23 -3.143 4.600 0.747 1.00 0.00 O ATOM 273 CB LEU A 23 -5.690 2.968 0.278 1.00 0.00 C ATOM 274 CG LEU A 23 -5.009 1.642 0.718 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.396 1.238 2.138 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.375 0.520 -0.244 1.00 0.00 C ATOM 0 H LEU A 23 -5.857 5.440 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.075 4.043 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.763 2.790 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.336 3.216 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.933 1.813 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.896 0.306 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.094 2.020 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.476 1.099 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.892 -0.404 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.456 0.382 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.039 0.778 -1.248 1.00 0.00 H new ATOM 288 N ASN A 24 -3.741 4.123 2.857 1.00 0.00 N ATOM 289 CA ASN A 24 -2.400 4.316 3.408 1.00 0.00 C ATOM 290 C ASN A 24 -1.752 2.970 3.714 1.00 0.00 C ATOM 291 O ASN A 24 -2.268 2.182 4.509 1.00 0.00 O ATOM 292 CB ASN A 24 -2.447 5.229 4.667 1.00 0.00 C ATOM 293 CG ASN A 24 -1.403 4.886 5.714 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.620 4.032 6.568 1.00 0.00 O ATOM 295 ND2 ASN A 24 -0.283 5.587 5.686 1.00 0.00 N ATOM 0 H ASN A 24 -4.437 3.828 3.541 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.785 4.820 2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.311 6.265 4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.437 5.159 5.118 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.437 5.426 6.390 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.139 6.289 4.960 1.00 0.00 H new ATOM 302 N CYS A 25 -0.644 2.684 3.040 1.00 0.00 N ATOM 303 CA CYS A 25 0.111 1.466 3.276 1.00 0.00 C ATOM 304 C CYS A 25 1.489 1.816 3.841 1.00 0.00 C ATOM 305 O CYS A 25 2.301 2.440 3.155 1.00 0.00 O ATOM 306 CB CYS A 25 0.260 0.695 1.950 1.00 0.00 C ATOM 307 SG CYS A 25 1.558 -0.578 1.957 1.00 0.00 S ATOM 0 H CYS A 25 -0.248 3.288 2.319 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.416 0.841 3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.693 0.223 1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.472 1.407 1.153 1.00 0.00 H new ATOM 312 N TYR A 26 1.749 1.440 5.094 1.00 0.00 N ATOM 313 CA TYR A 26 3.046 1.702 5.708 1.00 0.00 C ATOM 314 C TYR A 26 3.951 0.509 5.511 1.00 0.00 C ATOM 315 O TYR A 26 3.734 -0.545 6.112 1.00 0.00 O ATOM 316 CB TYR A 26 2.959 1.962 7.226 1.00 0.00 C ATOM 317 CG TYR A 26 2.371 3.288 7.668 1.00 0.00 C ATOM 318 CD1 TYR A 26 3.109 4.464 7.582 1.00 0.00 C ATOM 319 CD2 TYR A 26 1.096 3.354 8.217 1.00 0.00 C ATOM 320 CE1 TYR A 26 2.589 5.668 8.025 1.00 0.00 C ATOM 321 CE2 TYR A 26 0.569 4.555 8.657 1.00 0.00 C ATOM 322 CZ TYR A 26 1.318 5.707 8.560 1.00 0.00 C ATOM 323 OH TYR A 26 0.797 6.905 8.998 1.00 0.00 O ATOM 0 H TYR A 26 1.083 0.957 5.697 1.00 0.00 H new ATOM 0 HA TYR A 26 3.434 2.598 5.224 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.366 1.164 7.672 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.964 1.883 7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.104 4.437 7.163 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.507 2.453 8.302 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.175 6.572 7.952 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.426 4.589 9.075 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.108 6.761 9.346 1.00 0.00 H new ATOM 333 N VAL A 27 4.956 0.660 4.677 1.00 0.00 N ATOM 334 CA VAL A 27 5.985 -0.343 4.569 1.00 0.00 C ATOM 335 C VAL A 27 7.144 0.086 5.458 1.00 0.00 C ATOM 336 O VAL A 27 7.524 1.261 5.473 1.00 0.00 O ATOM 337 CB VAL A 27 6.448 -0.508 3.093 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.486 -1.618 2.939 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.247 -0.782 2.197 1.00 0.00 C ATOM 0 H VAL A 27 5.080 1.467 4.066 1.00 0.00 H new ATOM 0 HA VAL A 27 5.602 -1.311 4.891 1.00 0.00 H new ATOM 0 HB VAL A 27 6.922 0.426 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.781 -1.698 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.361 -1.385 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.058 -2.565 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.581 -0.896 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.752 -1.697 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.547 0.051 2.262 1.00 0.00 H new ATOM 349 N SER A 28 7.657 -0.857 6.235 1.00 0.00 N ATOM 350 CA SER A 28 8.818 -0.602 7.072 1.00 0.00 C ATOM 351 C SER A 28 10.045 -0.433 6.171 1.00 0.00 C ATOM 352 O SER A 28 9.867 -0.391 4.963 1.00 0.00 O ATOM 353 CB SER A 28 8.946 -1.726 8.100 1.00 0.00 C ATOM 354 OG SER A 28 8.537 -2.970 7.557 1.00 0.00 O ATOM 0 H SER A 28 7.287 -1.805 6.303 1.00 0.00 H new ATOM 0 HA SER A 28 8.718 0.323 7.640 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.980 -1.797 8.438 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.340 -1.492 8.975 1.00 0.00 H new ATOM 0 HG SER A 28 8.631 -3.670 8.236 1.00 0.00 H new ATOM 360 N GLY A 29 11.266 -0.386 6.722 1.00 0.00 N ATOM 361 CA GLY A 29 12.380 0.289 6.028 1.00 0.00 C ATOM 362 C GLY A 29 12.643 -0.223 4.625 1.00 0.00 C ATOM 363 O GLY A 29 11.906 0.093 3.695 1.00 0.00 O ATOM 0 H GLY A 29 11.508 -0.796 7.624 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.168 1.357 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.287 0.171 6.621 1.00 0.00 H new ATOM 367 N PHE A 30 13.761 -0.927 4.462 1.00 0.00 N ATOM 368 CA PHE A 30 14.138 -1.487 3.160 1.00 0.00 C ATOM 369 C PHE A 30 14.616 -0.329 2.293 1.00 0.00 C ATOM 370 O PHE A 30 14.122 0.786 2.426 1.00 0.00 O ATOM 371 CB PHE A 30 12.965 -2.173 2.428 1.00 0.00 C ATOM 372 CG PHE A 30 12.251 -3.302 3.163 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.621 -4.628 2.965 1.00 0.00 C ATOM 374 CD2 PHE A 30 11.174 -3.039 4.007 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.931 -5.662 3.590 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.492 -4.068 4.642 1.00 0.00 C ATOM 377 CZ PHE A 30 10.870 -5.375 4.427 1.00 0.00 C ATOM 0 H PHE A 30 14.423 -1.125 5.212 1.00 0.00 H new ATOM 0 HA PHE A 30 14.903 -2.245 3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.227 -1.409 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 30 13.340 -2.568 1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.455 -4.858 2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.865 -2.017 4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.224 -6.688 3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.667 -3.844 5.303 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.336 -6.177 4.914 1.00 0.00 H new ATOM 387 N HIS A 31 15.564 -0.548 1.409 1.00 0.00 N ATOM 388 CA HIS A 31 16.017 0.549 0.573 1.00 0.00 C ATOM 389 C HIS A 31 15.090 0.670 -0.642 1.00 0.00 C ATOM 390 O HIS A 31 15.104 -0.184 -1.530 1.00 0.00 O ATOM 391 CB HIS A 31 17.485 0.376 0.165 1.00 0.00 C ATOM 392 CG HIS A 31 18.426 0.145 1.319 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.757 -1.123 1.728 1.00 0.00 N ATOM 394 CD2 HIS A 31 19.076 1.045 2.107 1.00 0.00 C ATOM 395 CE1 HIS A 31 19.589 -0.972 2.744 1.00 0.00 C ATOM 396 NE2 HIS A 31 19.812 0.322 3.009 1.00 0.00 N ATOM 0 H HIS A 31 16.026 -1.444 1.250 1.00 0.00 H new ATOM 0 HA HIS A 31 15.969 1.478 1.141 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.562 -0.464 -0.525 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.806 1.265 -0.378 1.00 0.00 H new ATOM 0 HD2 HIS A 31 19.022 2.121 2.035 1.00 0.00 H new ATOM 0 HE1 HIS A 31 20.033 -1.790 3.292 1.00 0.00 H new ATOM 0 HE2 HIS A 31 20.414 0.697 3.742 1.00 0.00 H new ATOM 404 N PRO A 32 14.267 1.744 -0.656 1.00 0.00 N ATOM 405 CA PRO A 32 13.119 1.934 -1.570 1.00 0.00 C ATOM 406 C PRO A 32 13.297 1.422 -3.004 1.00 0.00 C ATOM 407 O PRO A 32 12.406 0.767 -3.542 1.00 0.00 O ATOM 408 CB PRO A 32 12.952 3.453 -1.561 1.00 0.00 C ATOM 409 CG PRO A 32 13.291 3.836 -0.164 1.00 0.00 C ATOM 410 CD PRO A 32 14.395 2.897 0.263 1.00 0.00 C ATOM 0 HA PRO A 32 12.263 1.352 -1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.616 3.933 -2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.935 3.746 -1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.619 4.874 -0.112 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.423 3.742 0.489 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.374 3.368 0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.278 2.592 1.303 1.00 0.00 H new ATOM 418 N SER A 33 14.441 1.701 -3.613 1.00 0.00 N ATOM 419 CA SER A 33 14.633 1.430 -5.034 1.00 0.00 C ATOM 420 C SER A 33 14.641 -0.080 -5.348 1.00 0.00 C ATOM 421 O SER A 33 14.325 -0.482 -6.471 1.00 0.00 O ATOM 422 CB SER A 33 15.925 2.104 -5.518 1.00 0.00 C ATOM 423 OG SER A 33 16.135 1.913 -6.908 1.00 0.00 O ATOM 0 H SER A 33 15.250 2.114 -3.148 1.00 0.00 H new ATOM 0 HA SER A 33 13.785 1.851 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 33 15.880 3.171 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.773 1.702 -4.964 1.00 0.00 H new ATOM 0 HG SER A 33 16.333 2.775 -7.330 1.00 0.00 H new ATOM 429 N ASP A 34 14.975 -0.922 -4.367 1.00 0.00 N ATOM 430 CA ASP A 34 15.052 -2.366 -4.615 1.00 0.00 C ATOM 431 C ASP A 34 13.850 -3.118 -4.049 1.00 0.00 C ATOM 432 O ASP A 34 13.923 -4.330 -3.837 1.00 0.00 O ATOM 433 CB ASP A 34 16.346 -2.975 -4.043 1.00 0.00 C ATOM 434 CG ASP A 34 17.565 -2.700 -4.908 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.124 -3.660 -5.475 1.00 0.00 O ATOM 436 OD2 ASP A 34 17.976 -1.526 -5.020 1.00 0.00 O ATOM 0 H ASP A 34 15.193 -0.638 -3.412 1.00 0.00 H new ATOM 0 HA ASP A 34 15.052 -2.481 -5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.519 -2.575 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.218 -4.052 -3.937 1.00 0.00 H new ATOM 441 N ILE A 35 12.751 -2.420 -3.792 1.00 0.00 N ATOM 442 CA ILE A 35 11.549 -3.090 -3.309 1.00 0.00 C ATOM 443 C ILE A 35 10.360 -2.807 -4.226 1.00 0.00 C ATOM 444 O ILE A 35 10.374 -1.858 -5.009 1.00 0.00 O ATOM 445 CB ILE A 35 11.186 -2.696 -1.839 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.076 -1.621 -1.791 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.424 -2.237 -1.071 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.641 -1.242 -0.384 1.00 0.00 C ATOM 0 H ILE A 35 12.666 -1.410 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 35 11.770 -4.157 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 35 10.796 -3.590 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.429 -0.726 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.209 -1.984 -2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.142 -1.969 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.156 -3.044 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.859 -1.369 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.860 -0.483 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.256 -2.124 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.495 -0.847 0.167 1.00 0.00 H new ATOM 460 N GLU A 36 9.341 -3.647 -4.123 1.00 0.00 N ATOM 461 CA GLU A 36 8.110 -3.471 -4.880 1.00 0.00 C ATOM 462 C GLU A 36 6.916 -3.411 -3.937 1.00 0.00 C ATOM 463 O GLU A 36 6.660 -4.360 -3.200 1.00 0.00 O ATOM 464 CB GLU A 36 7.918 -4.617 -5.876 1.00 0.00 C ATOM 465 CG GLU A 36 8.765 -4.487 -7.141 1.00 0.00 C ATOM 466 CD GLU A 36 8.704 -5.732 -7.997 1.00 0.00 C ATOM 467 OE1 GLU A 36 9.775 -6.266 -8.353 1.00 0.00 O ATOM 468 OE2 GLU A 36 7.584 -6.201 -8.298 1.00 0.00 O ATOM 0 H GLU A 36 9.343 -4.466 -3.515 1.00 0.00 H new ATOM 0 HA GLU A 36 8.182 -2.534 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.161 -5.558 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.866 -4.667 -6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.420 -3.631 -7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.800 -4.288 -6.865 1.00 0.00 H new ATOM 475 N VAL A 37 6.210 -2.291 -3.948 1.00 0.00 N ATOM 476 CA VAL A 37 4.993 -2.133 -3.159 1.00 0.00 C ATOM 477 C VAL A 37 3.882 -1.544 -4.029 1.00 0.00 C ATOM 478 O VAL A 37 4.091 -0.555 -4.738 1.00 0.00 O ATOM 479 CB VAL A 37 5.223 -1.261 -1.886 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.454 -0.384 -2.049 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.000 -0.401 -1.562 1.00 0.00 C ATOM 0 H VAL A 37 6.460 -1.470 -4.499 1.00 0.00 H new ATOM 0 HA VAL A 37 4.692 -3.121 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 37 5.384 -1.942 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.595 0.215 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.330 -1.013 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.320 0.275 -2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.198 0.192 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.790 0.264 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.139 -1.045 -1.386 1.00 0.00 H new ATOM 491 N ASP A 38 2.711 -2.167 -3.984 1.00 0.00 N ATOM 492 CA ASP A 38 1.565 -1.721 -4.774 1.00 0.00 C ATOM 493 C ASP A 38 0.313 -1.720 -3.898 1.00 0.00 C ATOM 494 O ASP A 38 0.256 -2.417 -2.884 1.00 0.00 O ATOM 495 CB ASP A 38 1.310 -2.653 -5.990 1.00 0.00 C ATOM 496 CG ASP A 38 2.456 -2.741 -6.976 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.179 -3.761 -6.954 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.608 -1.821 -7.810 1.00 0.00 O ATOM 0 H ASP A 38 2.527 -2.987 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 38 1.786 -0.719 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.089 -3.655 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.422 -2.304 -6.517 1.00 0.00 H new ATOM 503 N LEU A 39 -0.691 -0.958 -4.310 1.00 0.00 N ATOM 504 CA LEU A 39 -1.978 -0.959 -3.625 1.00 0.00 C ATOM 505 C LEU A 39 -2.975 -1.782 -4.443 1.00 0.00 C ATOM 506 O LEU A 39 -3.137 -1.551 -5.644 1.00 0.00 O ATOM 507 CB LEU A 39 -2.493 0.472 -3.386 1.00 0.00 C ATOM 508 CG LEU A 39 -1.993 1.153 -2.094 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.500 1.446 -2.141 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.765 2.433 -1.828 1.00 0.00 C ATOM 0 H LEU A 39 -0.640 -0.332 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.858 -1.413 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.204 1.090 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.583 0.448 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.168 0.452 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.194 1.925 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.050 0.513 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.286 2.110 -2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.397 2.897 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.629 3.120 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.825 2.202 -1.717 1.00 0.00 H new ATOM 522 N LEU A 40 -3.609 -2.764 -3.804 1.00 0.00 N ATOM 523 CA LEU A 40 -4.423 -3.754 -4.513 1.00 0.00 C ATOM 524 C LEU A 40 -5.880 -3.784 -4.056 1.00 0.00 C ATOM 525 O LEU A 40 -6.260 -3.168 -3.061 1.00 0.00 O ATOM 526 CB LEU A 40 -3.874 -5.166 -4.300 1.00 0.00 C ATOM 527 CG LEU A 40 -2.416 -5.420 -4.682 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.196 -6.913 -4.838 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.019 -4.702 -5.962 1.00 0.00 C ATOM 0 H LEU A 40 -3.575 -2.897 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.378 -3.452 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.995 -5.419 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.496 -5.858 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.787 -5.023 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.158 -7.101 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.421 -7.414 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.852 -7.298 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.974 -4.915 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.647 -5.048 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.150 -3.628 -5.832 1.00 0.00 H new ATOM 541 N LYS A 41 -6.677 -4.527 -4.823 1.00 0.00 N ATOM 542 CA LYS A 41 -8.025 -4.924 -4.449 1.00 0.00 C ATOM 543 C LYS A 41 -8.109 -6.424 -4.587 1.00 0.00 C ATOM 544 O LYS A 41 -8.120 -6.899 -5.715 1.00 0.00 O ATOM 545 CB LYS A 41 -9.074 -4.332 -5.406 1.00 0.00 C ATOM 546 CG LYS A 41 -8.644 -3.025 -6.057 1.00 0.00 C ATOM 547 CD LYS A 41 -9.645 -2.496 -7.106 1.00 0.00 C ATOM 548 CE LYS A 41 -11.076 -2.330 -6.560 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.103 -1.561 -5.288 1.00 0.00 N ATOM 0 H LYS A 41 -6.394 -4.874 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.223 -4.573 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.293 -5.061 -6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.001 -4.166 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.510 -2.270 -5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.674 -3.168 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.293 -1.534 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.665 -3.180 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.691 -1.822 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.518 -3.313 -6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.088 -1.342 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.670 -2.127 -4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.570 -0.676 -5.406 1.00 0.00 H new ATOM 563 N ASN A 42 -8.188 -7.173 -3.481 1.00 0.00 N ATOM 564 CA ASN A 42 -8.233 -8.647 -3.547 1.00 0.00 C ATOM 565 C ASN A 42 -7.284 -9.193 -4.616 1.00 0.00 C ATOM 566 O ASN A 42 -7.657 -10.031 -5.442 1.00 0.00 O ATOM 567 CB ASN A 42 -9.679 -9.164 -3.763 1.00 0.00 C ATOM 568 CG ASN A 42 -10.486 -8.344 -4.755 1.00 0.00 C ATOM 569 OD1 ASN A 42 -10.641 -8.711 -5.922 1.00 0.00 O ATOM 570 ND2 ASN A 42 -10.979 -7.207 -4.286 1.00 0.00 N ATOM 0 H ASN A 42 -8.222 -6.792 -2.536 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.890 -9.022 -2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.637 -10.196 -4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.199 -9.171 -2.805 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.514 -6.592 -4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.824 -6.947 -3.312 1.00 0.00 H new ATOM 577 N GLY A 43 -6.041 -8.719 -4.571 1.00 0.00 N ATOM 578 CA GLY A 43 -5.046 -9.147 -5.537 1.00 0.00 C ATOM 579 C GLY A 43 -5.203 -8.531 -6.921 1.00 0.00 C ATOM 580 O GLY A 43 -4.802 -9.139 -7.915 1.00 0.00 O ATOM 0 H GLY A 43 -5.706 -8.046 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.056 -8.900 -5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.091 -10.232 -5.629 1.00 0.00 H new ATOM 584 N GLU A 44 -5.790 -7.348 -7.003 1.00 0.00 N ATOM 585 CA GLU A 44 -5.983 -6.678 -8.287 1.00 0.00 C ATOM 586 C GLU A 44 -5.390 -5.269 -8.218 1.00 0.00 C ATOM 587 O GLU A 44 -5.819 -4.452 -7.403 1.00 0.00 O ATOM 588 CB GLU A 44 -7.478 -6.627 -8.642 1.00 0.00 C ATOM 589 CG GLU A 44 -7.767 -6.108 -10.044 1.00 0.00 C ATOM 590 CD GLU A 44 -7.173 -6.997 -11.114 1.00 0.00 C ATOM 591 OE1 GLU A 44 -5.964 -6.863 -11.405 1.00 0.00 O ATOM 592 OE2 GLU A 44 -7.911 -7.840 -11.666 1.00 0.00 O ATOM 0 H GLU A 44 -6.142 -6.829 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.471 -7.238 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.898 -7.628 -8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.991 -5.993 -7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.845 -6.038 -10.189 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.365 -5.100 -10.147 1.00 0.00 H new ATOM 599 N ARG A 45 -4.379 -5.013 -9.044 1.00 0.00 N ATOM 600 CA ARG A 45 -3.659 -3.734 -9.034 1.00 0.00 C ATOM 601 C ARG A 45 -4.615 -2.569 -9.304 1.00 0.00 C ATOM 602 O ARG A 45 -5.249 -2.495 -10.358 1.00 0.00 O ATOM 603 CB ARG A 45 -2.518 -3.747 -10.082 1.00 0.00 C ATOM 604 CG ARG A 45 -1.172 -3.237 -9.557 1.00 0.00 C ATOM 605 CD ARG A 45 -0.081 -3.175 -10.635 1.00 0.00 C ATOM 606 NE ARG A 45 -0.221 -2.015 -11.509 1.00 0.00 N ATOM 607 CZ ARG A 45 0.659 -1.012 -11.564 1.00 0.00 C ATOM 608 NH1 ARG A 45 1.675 -0.947 -10.707 1.00 0.00 N ATOM 609 NH2 ARG A 45 0.498 -0.058 -12.467 1.00 0.00 N ATOM 0 H ARG A 45 -4.034 -5.678 -9.736 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.223 -3.597 -8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.389 -4.765 -10.449 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.817 -3.137 -10.934 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.309 -2.243 -9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.837 -3.886 -8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.897 -3.148 -10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.117 -4.084 -11.235 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.040 -1.967 -12.114 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.789 -1.669 -9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.339 -0.175 -10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.292 -0.094 -13.111 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.164 0.713 -12.518 1.00 0.00 H new ATOM 623 N ILE A 46 -4.720 -1.683 -8.311 1.00 0.00 N ATOM 624 CA ILE A 46 -5.580 -0.506 -8.381 1.00 0.00 C ATOM 625 C ILE A 46 -5.138 0.435 -9.497 1.00 0.00 C ATOM 626 O ILE A 46 -5.915 0.701 -10.411 1.00 0.00 O ATOM 627 CB ILE A 46 -5.582 0.240 -7.030 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.076 -0.698 -5.922 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.443 1.499 -7.104 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.042 -0.100 -4.537 1.00 0.00 C ATOM 0 H ILE A 46 -4.207 -1.765 -7.433 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.592 -0.845 -8.602 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.564 0.552 -6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.098 -1.001 -6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.466 -1.602 -5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.428 2.007 -6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.048 2.165 -7.871 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.468 1.225 -7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.408 -0.831 -3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.018 0.177 -4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.675 0.787 -4.508 1.00 0.00 H new ATOM 642 N GLU A 47 -3.936 1.013 -9.324 1.00 0.00 N ATOM 643 CA GLU A 47 -3.142 1.646 -10.406 1.00 0.00 C ATOM 644 C GLU A 47 -2.978 3.143 -10.181 1.00 0.00 C ATOM 645 O GLU A 47 -1.982 3.721 -10.617 1.00 0.00 O ATOM 646 CB GLU A 47 -3.708 1.424 -11.819 1.00 0.00 C ATOM 647 CG GLU A 47 -3.684 -0.022 -12.289 1.00 0.00 C ATOM 648 CD GLU A 47 -2.851 -0.218 -13.536 1.00 0.00 C ATOM 649 OE1 GLU A 47 -3.225 0.323 -14.594 1.00 0.00 O ATOM 650 OE2 GLU A 47 -1.825 -0.922 -13.464 1.00 0.00 O ATOM 0 H GLU A 47 -3.476 1.057 -8.415 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.175 1.145 -10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.736 1.784 -11.845 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.140 2.031 -12.524 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.290 -0.652 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.704 -0.353 -12.483 1.00 0.00 H new ATOM 657 N LYS A 48 -3.930 3.786 -9.502 1.00 0.00 N ATOM 658 CA LYS A 48 -3.865 5.230 -9.292 1.00 0.00 C ATOM 659 C LYS A 48 -2.966 5.541 -8.099 1.00 0.00 C ATOM 660 O LYS A 48 -3.358 6.272 -7.187 1.00 0.00 O ATOM 661 CB LYS A 48 -5.270 5.809 -9.040 1.00 0.00 C ATOM 662 CG LYS A 48 -6.377 5.273 -9.964 1.00 0.00 C ATOM 663 CD LYS A 48 -6.002 5.367 -11.439 1.00 0.00 C ATOM 664 CE LYS A 48 -5.910 6.812 -11.909 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.236 7.488 -11.883 1.00 0.00 N ATOM 0 H LYS A 48 -4.747 3.333 -9.092 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.453 5.689 -10.191 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.550 5.603 -8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.223 6.893 -9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.586 4.234 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.295 5.834 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.046 4.870 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.743 4.837 -12.037 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.212 7.357 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.508 6.840 -12.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.184 8.375 -12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.952 6.865 -12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.500 7.697 -10.899 1.00 0.00 H new ATOM 679 N VAL A 49 -1.756 5.007 -8.114 1.00 0.00 N ATOM 680 CA VAL A 49 -0.863 5.131 -6.978 1.00 0.00 C ATOM 681 C VAL A 49 0.420 5.805 -7.434 1.00 0.00 C ATOM 682 O VAL A 49 1.068 5.360 -8.387 1.00 0.00 O ATOM 683 CB VAL A 49 -0.589 3.755 -6.296 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.871 3.331 -6.361 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.048 3.795 -4.853 1.00 0.00 C ATOM 0 H VAL A 49 -1.371 4.484 -8.901 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.339 5.748 -6.216 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.157 3.011 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.992 2.366 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.180 3.248 -7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.489 4.075 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.854 2.831 -4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.505 4.575 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.116 4.008 -4.817 1.00 0.00 H new ATOM 695 N GLU A 50 0.758 6.906 -6.784 1.00 0.00 N ATOM 696 CA GLU A 50 1.904 7.708 -7.201 1.00 0.00 C ATOM 697 C GLU A 50 2.533 8.405 -5.999 1.00 0.00 C ATOM 698 O GLU A 50 1.918 9.286 -5.399 1.00 0.00 O ATOM 699 CB GLU A 50 1.477 8.777 -8.233 1.00 0.00 C ATOM 700 CG GLU A 50 0.807 8.237 -9.503 1.00 0.00 C ATOM 701 CD GLU A 50 0.247 9.336 -10.377 1.00 0.00 C ATOM 702 OE1 GLU A 50 0.912 9.713 -11.364 1.00 0.00 O ATOM 703 OE2 GLU A 50 -0.864 9.832 -10.088 1.00 0.00 O ATOM 0 H GLU A 50 0.261 7.266 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 50 2.632 7.036 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.791 9.472 -7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.358 9.350 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.533 7.658 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.004 7.555 -9.224 1.00 0.00 H new ATOM 710 N HIS A 51 3.752 8.009 -5.648 1.00 0.00 N ATOM 711 CA HIS A 51 4.512 8.689 -4.615 1.00 0.00 C ATOM 712 C HIS A 51 5.983 8.547 -4.960 1.00 0.00 C ATOM 713 O HIS A 51 6.471 7.436 -5.160 1.00 0.00 O ATOM 714 CB HIS A 51 4.207 8.082 -3.236 1.00 0.00 C ATOM 715 CG HIS A 51 4.367 9.024 -2.074 1.00 0.00 C ATOM 716 ND1 HIS A 51 3.449 9.048 -1.051 1.00 0.00 N ATOM 717 CD2 HIS A 51 5.352 9.913 -1.797 1.00 0.00 C ATOM 718 CE1 HIS A 51 3.894 9.935 -0.182 1.00 0.00 C ATOM 719 NE2 HIS A 51 5.045 10.488 -0.587 1.00 0.00 N ATOM 0 H HIS A 51 4.234 7.215 -6.069 1.00 0.00 H new ATOM 0 HA HIS A 51 4.239 9.743 -4.569 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.184 7.706 -3.240 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.862 7.224 -3.081 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.214 10.129 -2.411 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.393 10.184 0.741 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.587 11.197 -0.094 1.00 0.00 H new ATOM 727 N SER A 52 6.675 9.660 -5.072 1.00 0.00 N ATOM 728 CA SER A 52 8.057 9.639 -5.524 1.00 0.00 C ATOM 729 C SER A 52 9.003 9.700 -4.339 1.00 0.00 C ATOM 730 O SER A 52 9.017 10.675 -3.585 1.00 0.00 O ATOM 731 CB SER A 52 8.324 10.816 -6.463 1.00 0.00 C ATOM 732 OG SER A 52 9.609 10.720 -7.060 1.00 0.00 O ATOM 0 H SER A 52 6.310 10.588 -4.859 1.00 0.00 H new ATOM 0 HA SER A 52 8.229 8.708 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.561 10.844 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.248 11.751 -5.908 1.00 0.00 H new ATOM 0 HG SER A 52 9.751 11.485 -7.656 1.00 0.00 H new ATOM 738 N ASP A 53 9.779 8.646 -4.174 1.00 0.00 N ATOM 739 CA ASP A 53 10.749 8.572 -3.103 1.00 0.00 C ATOM 740 C ASP A 53 12.018 7.878 -3.572 1.00 0.00 C ATOM 741 O ASP A 53 11.979 6.745 -4.050 1.00 0.00 O ATOM 742 CB ASP A 53 10.164 7.839 -1.897 1.00 0.00 C ATOM 743 CG ASP A 53 9.734 6.420 -2.233 1.00 0.00 C ATOM 744 OD1 ASP A 53 8.634 6.244 -2.806 1.00 0.00 O ATOM 745 OD2 ASP A 53 10.498 5.482 -1.948 1.00 0.00 O ATOM 0 H ASP A 53 9.754 7.823 -4.775 1.00 0.00 H new ATOM 0 HA ASP A 53 11.001 9.590 -2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.905 7.812 -1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.307 8.395 -1.518 1.00 0.00 H new ATOM 750 N LEU A 54 13.132 8.592 -3.445 1.00 0.00 N ATOM 751 CA LEU A 54 14.473 8.064 -3.722 1.00 0.00 C ATOM 752 C LEU A 54 14.638 7.543 -5.161 1.00 0.00 C ATOM 753 O LEU A 54 13.678 7.213 -5.858 1.00 0.00 O ATOM 754 CB LEU A 54 14.805 6.959 -2.703 1.00 0.00 C ATOM 755 CG LEU A 54 14.788 7.403 -1.210 1.00 0.00 C ATOM 756 CD1 LEU A 54 13.407 7.223 -0.571 1.00 0.00 C ATOM 757 CD2 LEU A 54 15.832 6.660 -0.374 1.00 0.00 C ATOM 0 H LEU A 54 13.134 9.566 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 54 15.175 8.892 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.093 6.144 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 54 15.792 6.559 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 54 15.037 8.464 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 54 13.443 7.545 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 54 12.675 7.823 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.119 6.173 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 54 15.782 7.003 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 54 15.632 5.589 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 54 16.826 6.858 -0.774 1.00 0.00 H new ATOM 769 N SER A 55 15.878 7.528 -5.614 1.00 0.00 N ATOM 770 CA SER A 55 16.207 6.999 -6.928 1.00 0.00 C ATOM 771 C SER A 55 16.939 5.666 -6.807 1.00 0.00 C ATOM 772 O SER A 55 16.592 4.693 -7.477 1.00 0.00 O ATOM 773 CB SER A 55 17.065 8.008 -7.691 1.00 0.00 C ATOM 774 OG SER A 55 16.401 9.259 -7.801 1.00 0.00 O ATOM 0 H SER A 55 16.679 7.878 -5.089 1.00 0.00 H new ATOM 0 HA SER A 55 15.281 6.828 -7.478 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.018 8.142 -7.179 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.289 7.622 -8.686 1.00 0.00 H new ATOM 0 HG SER A 55 16.969 9.889 -8.291 1.00 0.00 H new ATOM 780 N PHE A 56 17.951 5.626 -5.949 1.00 0.00 N ATOM 781 CA PHE A 56 18.751 4.423 -5.771 1.00 0.00 C ATOM 782 C PHE A 56 18.746 3.972 -4.319 1.00 0.00 C ATOM 783 O PHE A 56 18.377 4.727 -3.423 1.00 0.00 O ATOM 784 CB PHE A 56 20.187 4.664 -6.239 1.00 0.00 C ATOM 785 CG PHE A 56 20.290 4.969 -7.706 1.00 0.00 C ATOM 786 CD1 PHE A 56 20.703 6.217 -8.144 1.00 0.00 C ATOM 787 CD2 PHE A 56 19.964 4.007 -8.647 1.00 0.00 C ATOM 788 CE1 PHE A 56 20.789 6.498 -9.494 1.00 0.00 C ATOM 789 CE2 PHE A 56 20.049 4.283 -9.997 1.00 0.00 C ATOM 790 CZ PHE A 56 20.462 5.529 -10.422 1.00 0.00 C ATOM 0 H PHE A 56 18.236 6.413 -5.366 1.00 0.00 H new ATOM 0 HA PHE A 56 18.307 3.633 -6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 56 20.613 5.492 -5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 56 20.788 3.782 -6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.960 6.978 -7.422 1.00 0.00 H new ATOM 0 HD2 PHE A 56 19.640 3.030 -8.321 1.00 0.00 H new ATOM 0 HE1 PHE A 56 21.112 7.475 -9.823 1.00 0.00 H new ATOM 0 HE2 PHE A 56 19.792 3.523 -10.721 1.00 0.00 H new ATOM 0 HZ PHE A 56 20.529 5.746 -11.478 1.00 0.00 H new ATOM 800 N SER A 57 19.163 2.738 -4.092 1.00 0.00 N ATOM 801 CA SER A 57 19.176 2.169 -2.758 1.00 0.00 C ATOM 802 C SER A 57 20.525 2.403 -2.092 1.00 0.00 C ATOM 803 O SER A 57 21.266 1.462 -1.803 1.00 0.00 O ATOM 804 CB SER A 57 18.864 0.676 -2.831 1.00 0.00 C ATOM 805 OG SER A 57 17.595 0.456 -3.418 1.00 0.00 O ATOM 0 H SER A 57 19.499 2.108 -4.821 1.00 0.00 H new ATOM 0 HA SER A 57 18.412 2.660 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.632 0.167 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.886 0.246 -1.830 1.00 0.00 H new ATOM 0 HG SER A 57 17.700 -0.074 -4.236 1.00 0.00 H new ATOM 811 N LYS A 58 20.840 3.665 -1.858 1.00 0.00 N ATOM 812 CA LYS A 58 22.110 4.027 -1.254 1.00 0.00 C ATOM 813 C LYS A 58 21.954 5.253 -0.361 1.00 0.00 C ATOM 814 O LYS A 58 22.614 5.367 0.674 1.00 0.00 O ATOM 815 CB LYS A 58 23.150 4.307 -2.342 1.00 0.00 C ATOM 816 CG LYS A 58 24.566 4.466 -1.809 1.00 0.00 C ATOM 817 CD LYS A 58 25.501 5.040 -2.861 1.00 0.00 C ATOM 818 CE LYS A 58 25.124 6.470 -3.210 1.00 0.00 C ATOM 819 NZ LYS A 58 26.058 7.078 -4.194 1.00 0.00 N ATOM 0 H LYS A 58 20.234 4.456 -2.077 1.00 0.00 H new ATOM 0 HA LYS A 58 22.447 3.191 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 58 23.133 3.493 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 58 22.868 5.214 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 58 24.555 5.119 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.941 3.498 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 58 26.527 5.011 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.466 4.422 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 58 24.112 6.488 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.115 7.072 -2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 25.759 8.053 -4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 27.020 7.087 -3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 26.049 6.520 -5.072 1.00 0.00 H new ATOM 833 N ASP A 59 21.075 6.165 -0.759 1.00 0.00 N ATOM 834 CA ASP A 59 20.924 7.425 -0.044 1.00 0.00 C ATOM 835 C ASP A 59 20.102 7.261 1.231 1.00 0.00 C ATOM 836 O ASP A 59 20.412 7.896 2.238 1.00 0.00 O ATOM 837 CB ASP A 59 20.324 8.508 -0.945 1.00 0.00 C ATOM 838 CG ASP A 59 18.934 8.173 -1.429 1.00 0.00 C ATOM 839 OD1 ASP A 59 17.971 8.812 -0.967 1.00 0.00 O ATOM 840 OD2 ASP A 59 18.808 7.278 -2.287 1.00 0.00 O ATOM 0 H ASP A 59 20.461 6.057 -1.566 1.00 0.00 H new ATOM 0 HA ASP A 59 21.923 7.746 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.295 9.451 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.976 8.658 -1.806 1.00 0.00 H new ATOM 845 N TRP A 60 19.064 6.417 1.207 1.00 0.00 N ATOM 846 CA TRP A 60 18.320 6.117 2.430 1.00 0.00 C ATOM 847 C TRP A 60 17.315 4.978 2.250 1.00 0.00 C ATOM 848 O TRP A 60 17.319 4.277 1.234 1.00 0.00 O ATOM 849 CB TRP A 60 17.600 7.359 2.964 1.00 0.00 C ATOM 850 CG TRP A 60 17.818 7.565 4.437 1.00 0.00 C ATOM 851 CD1 TRP A 60 17.711 8.742 5.125 1.00 0.00 C ATOM 852 CD2 TRP A 60 18.200 6.565 5.405 1.00 0.00 C ATOM 853 NE1 TRP A 60 17.999 8.539 6.451 1.00 0.00 N ATOM 854 CE2 TRP A 60 18.301 7.212 6.650 1.00 0.00 C ATOM 855 CE3 TRP A 60 18.470 5.184 5.337 1.00 0.00 C ATOM 856 CZ2 TRP A 60 18.651 6.528 7.812 1.00 0.00 C ATOM 857 CZ3 TRP A 60 18.812 4.512 6.478 1.00 0.00 C ATOM 858 CH2 TRP A 60 18.905 5.179 7.710 1.00 0.00 C ATOM 0 H TRP A 60 18.727 5.939 0.371 1.00 0.00 H new ATOM 0 HA TRP A 60 19.063 5.791 3.157 1.00 0.00 H new ATOM 0 HB2 TRP A 60 17.949 8.238 2.422 1.00 0.00 H new ATOM 0 HB3 TRP A 60 16.532 7.268 2.768 1.00 0.00 H new ATOM 0 HD1 TRP A 60 17.440 9.692 4.689 1.00 0.00 H new ATOM 0 HE1 TRP A 60 17.990 9.258 7.174 1.00 0.00 H new ATOM 0 HE3 TRP A 60 18.408 4.662 4.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 18.721 7.039 8.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 19.014 3.452 6.431 1.00 0.00 H new ATOM 0 HH2 TRP A 60 19.181 4.623 8.594 1.00 0.00 H new ATOM 869 N SER A 61 16.464 4.812 3.270 1.00 0.00 N ATOM 870 CA SER A 61 15.528 3.701 3.364 1.00 0.00 C ATOM 871 C SER A 61 14.643 3.841 4.611 1.00 0.00 C ATOM 872 O SER A 61 14.641 2.972 5.486 1.00 0.00 O ATOM 873 CB SER A 61 16.310 2.386 3.420 1.00 0.00 C ATOM 874 OG SER A 61 17.381 2.453 4.350 1.00 0.00 O ATOM 0 H SER A 61 16.411 5.456 4.059 1.00 0.00 H new ATOM 0 HA SER A 61 14.882 3.706 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.638 1.574 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.701 2.153 2.430 1.00 0.00 H new ATOM 0 HG SER A 61 17.361 3.318 4.810 1.00 0.00 H new ATOM 880 N PHE A 62 13.896 4.936 4.699 1.00 0.00 N ATOM 881 CA PHE A 62 13.093 5.219 5.885 1.00 0.00 C ATOM 882 C PHE A 62 11.618 4.864 5.661 1.00 0.00 C ATOM 883 O PHE A 62 11.301 4.029 4.816 1.00 0.00 O ATOM 884 CB PHE A 62 13.242 6.700 6.272 1.00 0.00 C ATOM 885 CG PHE A 62 13.111 7.660 5.116 1.00 0.00 C ATOM 886 CD1 PHE A 62 14.243 8.177 4.504 1.00 0.00 C ATOM 887 CD2 PHE A 62 11.865 8.045 4.644 1.00 0.00 C ATOM 888 CE1 PHE A 62 14.134 9.058 3.443 1.00 0.00 C ATOM 889 CE2 PHE A 62 11.750 8.926 3.585 1.00 0.00 C ATOM 890 CZ PHE A 62 12.886 9.432 2.984 1.00 0.00 C ATOM 0 H PHE A 62 13.829 5.641 3.965 1.00 0.00 H new ATOM 0 HA PHE A 62 13.457 4.597 6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.488 6.946 7.020 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.215 6.845 6.741 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.221 7.888 4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.973 7.652 5.110 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.023 9.453 2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.773 9.218 3.228 1.00 0.00 H new ATOM 0 HZ PHE A 62 12.799 10.120 2.156 1.00 0.00 H new ATOM 900 N TYR A 63 10.729 5.510 6.420 1.00 0.00 N ATOM 901 CA TYR A 63 9.284 5.272 6.327 1.00 0.00 C ATOM 902 C TYR A 63 8.781 5.433 4.882 1.00 0.00 C ATOM 903 O TYR A 63 8.877 6.510 4.287 1.00 0.00 O ATOM 904 CB TYR A 63 8.544 6.228 7.291 1.00 0.00 C ATOM 905 CG TYR A 63 8.103 5.575 8.599 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.776 5.650 9.030 1.00 0.00 C ATOM 907 CD2 TYR A 63 9.007 4.880 9.403 1.00 0.00 C ATOM 908 CE1 TYR A 63 6.370 5.056 10.219 1.00 0.00 C ATOM 909 CE2 TYR A 63 8.605 4.284 10.592 1.00 0.00 C ATOM 910 CZ TYR A 63 7.288 4.379 10.991 1.00 0.00 C ATOM 911 OH TYR A 63 6.887 3.791 12.170 1.00 0.00 O ATOM 0 H TYR A 63 10.988 6.211 7.114 1.00 0.00 H new ATOM 0 HA TYR A 63 9.076 4.243 6.620 1.00 0.00 H new ATOM 0 HB2 TYR A 63 9.195 7.072 7.520 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.667 6.631 6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.052 6.179 8.428 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.039 4.804 9.095 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.340 5.125 10.536 1.00 0.00 H new ATOM 0 HE2 TYR A 63 9.320 3.749 11.200 1.00 0.00 H new ATOM 0 HH TYR A 63 7.654 3.353 12.594 1.00 0.00 H new ATOM 921 N LEU A 64 8.239 4.345 4.337 1.00 0.00 N ATOM 922 CA LEU A 64 7.750 4.295 2.951 1.00 0.00 C ATOM 923 C LEU A 64 6.221 4.317 2.937 1.00 0.00 C ATOM 924 O LEU A 64 5.576 3.490 3.586 1.00 0.00 O ATOM 925 CB LEU A 64 8.244 2.990 2.312 1.00 0.00 C ATOM 926 CG LEU A 64 9.507 3.090 1.447 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.215 1.742 1.400 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.134 3.536 0.041 1.00 0.00 C ATOM 0 H LEU A 64 8.124 3.467 4.843 1.00 0.00 H new ATOM 0 HA LEU A 64 8.121 5.156 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.431 2.269 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.440 2.585 1.697 1.00 0.00 H new ATOM 0 HG LEU A 64 10.182 3.825 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.110 1.823 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.495 1.443 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.547 0.995 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.034 3.606 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.451 2.811 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.649 4.511 0.085 1.00 0.00 H new ATOM 940 N LEU A 65 5.643 5.277 2.218 1.00 0.00 N ATOM 941 CA LEU A 65 4.190 5.366 2.072 1.00 0.00 C ATOM 942 C LEU A 65 3.793 5.766 0.646 1.00 0.00 C ATOM 943 O LEU A 65 4.526 6.479 -0.032 1.00 0.00 O ATOM 944 CB LEU A 65 3.634 6.391 3.068 1.00 0.00 C ATOM 945 CG LEU A 65 2.157 6.758 2.898 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.275 5.533 3.064 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.763 7.842 3.892 1.00 0.00 C ATOM 0 H LEU A 65 6.159 6.006 1.726 1.00 0.00 H new ATOM 0 HA LEU A 65 3.769 4.382 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.778 6.003 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.226 7.303 2.989 1.00 0.00 H new ATOM 0 HG LEU A 65 2.013 7.144 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.230 5.817 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.541 4.789 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.420 5.112 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.711 8.092 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.925 7.481 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.372 8.730 3.722 1.00 0.00 H new ATOM 959 N TYR A 66 2.636 5.271 0.206 1.00 0.00 N ATOM 960 CA TYR A 66 2.067 5.602 -1.100 1.00 0.00 C ATOM 961 C TYR A 66 0.574 5.906 -0.938 1.00 0.00 C ATOM 962 O TYR A 66 -0.022 5.505 0.063 1.00 0.00 O ATOM 963 CB TYR A 66 2.271 4.408 -2.047 1.00 0.00 C ATOM 964 CG TYR A 66 3.735 4.179 -2.390 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.577 3.497 -1.519 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.279 4.676 -3.570 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.918 3.315 -1.814 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.617 4.493 -3.874 1.00 0.00 C ATOM 969 CZ TYR A 66 6.430 3.814 -2.991 1.00 0.00 C ATOM 970 OH TYR A 66 7.763 3.646 -3.277 1.00 0.00 O ATOM 0 H TYR A 66 2.064 4.625 0.750 1.00 0.00 H new ATOM 0 HA TYR A 66 2.561 6.479 -1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.865 3.508 -1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.708 4.577 -2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.178 3.102 -0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.647 5.214 -4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.559 2.785 -1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.022 4.880 -4.797 1.00 0.00 H new ATOM 0 HH TYR A 66 8.233 4.498 -3.157 1.00 0.00 H new ATOM 980 N TYR A 67 -0.040 6.594 -1.904 1.00 0.00 N ATOM 981 CA TYR A 67 -1.462 6.928 -1.786 1.00 0.00 C ATOM 982 C TYR A 67 -2.233 6.680 -3.090 1.00 0.00 C ATOM 983 O TYR A 67 -1.715 6.912 -4.184 1.00 0.00 O ATOM 984 CB TYR A 67 -1.678 8.373 -1.291 1.00 0.00 C ATOM 985 CG TYR A 67 -0.815 9.446 -1.943 1.00 0.00 C ATOM 986 CD1 TYR A 67 0.234 10.033 -1.240 1.00 0.00 C ATOM 987 CD2 TYR A 67 -1.055 9.892 -3.242 1.00 0.00 C ATOM 988 CE1 TYR A 67 1.012 11.024 -1.808 1.00 0.00 C ATOM 989 CE2 TYR A 67 -0.275 10.881 -3.816 1.00 0.00 C ATOM 990 CZ TYR A 67 0.756 11.442 -3.094 1.00 0.00 C ATOM 991 OH TYR A 67 1.537 12.427 -3.658 1.00 0.00 O ATOM 0 H TYR A 67 0.411 6.924 -2.757 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.867 6.252 -1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.725 8.635 -1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.499 8.397 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.444 9.708 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.864 9.458 -3.811 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.819 11.469 -1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.473 11.211 -4.825 1.00 0.00 H new ATOM 0 HH TYR A 67 1.228 12.607 -4.570 1.00 0.00 H new ATOM 1001 N THR A 68 -3.470 6.190 -2.954 1.00 0.00 N ATOM 1002 CA THR A 68 -4.359 5.959 -4.093 1.00 0.00 C ATOM 1003 C THR A 68 -5.802 6.320 -3.711 1.00 0.00 C ATOM 1004 O THR A 68 -6.218 6.129 -2.561 1.00 0.00 O ATOM 1005 CB THR A 68 -4.297 4.485 -4.589 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.708 4.410 -5.955 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.186 3.560 -3.777 1.00 0.00 C ATOM 0 H THR A 68 -3.880 5.944 -2.053 1.00 0.00 H new ATOM 0 HA THR A 68 -4.022 6.598 -4.910 1.00 0.00 H new ATOM 0 HB THR A 68 -3.263 4.162 -4.473 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.530 5.266 -6.398 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.105 2.545 -4.165 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.871 3.576 -2.734 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.221 3.894 -3.849 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.528 6.904 -4.664 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.954 7.217 -4.505 1.00 0.00 C ATOM 1017 C GLU A 69 -8.773 5.940 -4.280 1.00 0.00 C ATOM 1018 O GLU A 69 -8.622 4.974 -5.033 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.465 7.907 -5.780 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.740 8.728 -5.575 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.548 9.919 -4.655 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -9.785 9.779 -3.443 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -9.194 11.013 -5.152 1.00 0.00 O ATOM 0 H GLU A 69 -6.147 7.175 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.068 7.870 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.682 8.560 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.651 7.149 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.096 9.080 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.517 8.083 -5.165 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.636 5.915 -3.258 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.483 4.744 -3.036 1.00 0.00 C ATOM 1032 C PHE A 70 -11.939 5.112 -2.791 1.00 0.00 C ATOM 1033 O PHE A 70 -12.247 6.240 -2.433 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.951 3.910 -1.861 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.190 4.451 -0.461 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -11.465 4.721 0.018 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -9.120 4.647 0.391 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -11.662 5.171 1.308 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -9.315 5.104 1.686 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.589 5.360 2.143 1.00 0.00 C ATOM 0 H PHE A 70 -9.763 6.673 -2.588 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.446 4.153 -3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.399 2.918 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.877 3.784 -1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -12.317 4.576 -0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.118 4.442 0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.662 5.375 1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.467 5.259 2.337 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.743 5.708 3.154 1.00 0.00 H new ATOM 1050 N THR A 71 -12.823 4.151 -3.022 1.00 0.00 N ATOM 1051 CA THR A 71 -14.207 4.239 -2.565 1.00 0.00 C ATOM 1052 C THR A 71 -14.675 2.873 -2.032 1.00 0.00 C ATOM 1053 O THR A 71 -14.772 1.918 -2.802 1.00 0.00 O ATOM 1054 CB THR A 71 -15.111 4.702 -3.732 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.593 5.923 -4.275 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.548 4.920 -3.282 1.00 0.00 C ATOM 0 H THR A 71 -12.605 3.293 -3.528 1.00 0.00 H new ATOM 0 HA THR A 71 -14.274 4.967 -1.756 1.00 0.00 H new ATOM 0 HB THR A 71 -15.112 3.917 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.162 6.219 -5.016 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.150 5.244 -4.131 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.951 3.988 -2.887 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.574 5.684 -2.505 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.935 2.732 -0.704 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.357 1.449 -0.140 1.00 0.00 C ATOM 1066 C PRO A 72 -16.765 1.077 -0.540 1.00 0.00 C ATOM 1067 O PRO A 72 -17.672 1.907 -0.557 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.271 1.621 1.381 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.891 3.050 1.645 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.840 3.787 0.328 1.00 0.00 C ATOM 0 HA PRO A 72 -14.721 0.645 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.226 1.384 1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.531 0.942 1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.616 3.517 2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.923 3.098 2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.661 4.499 0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.915 4.354 0.229 1.00 0.00 H new ATOM 1078 N THR A 73 -16.911 -0.186 -0.862 1.00 0.00 N ATOM 1079 CA THR A 73 -18.178 -0.759 -1.258 1.00 0.00 C ATOM 1080 C THR A 73 -18.407 -2.031 -0.452 1.00 0.00 C ATOM 1081 O THR A 73 -17.485 -2.521 0.205 1.00 0.00 O ATOM 1082 CB THR A 73 -18.166 -1.099 -2.766 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.207 -2.132 -3.009 1.00 0.00 O ATOM 1084 CG2 THR A 73 -17.820 0.126 -3.602 1.00 0.00 C ATOM 0 H THR A 73 -16.142 -0.856 -0.857 1.00 0.00 H new ATOM 0 HA THR A 73 -18.977 -0.042 -1.070 1.00 0.00 H new ATOM 0 HB THR A 73 -19.162 -1.437 -3.053 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.887 -2.071 -3.933 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.819 -0.143 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.560 0.907 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.833 0.492 -3.320 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.625 -2.550 -0.476 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.917 -3.855 0.100 1.00 0.00 C ATOM 1094 C GLU A 74 -19.152 -4.991 -0.634 1.00 0.00 C ATOM 1095 O GLU A 74 -19.157 -6.142 -0.200 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.447 -4.068 0.075 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.883 -5.488 0.355 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.667 -5.885 1.798 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -20.909 -6.843 2.047 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -22.248 -5.234 2.690 1.00 0.00 O ATOM 0 H GLU A 74 -20.432 -2.084 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.570 -3.887 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.906 -3.408 0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.828 -3.770 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.938 -5.597 0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.331 -6.169 -0.293 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.469 -4.663 -1.733 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.810 -5.681 -2.550 1.00 0.00 C ATOM 1109 C LYS A 75 -16.268 -5.627 -2.553 1.00 0.00 C ATOM 1110 O LYS A 75 -15.634 -6.677 -2.618 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.319 -5.611 -3.996 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.804 -5.945 -4.183 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.087 -7.451 -4.206 1.00 0.00 C ATOM 1114 CE LYS A 75 -19.850 -8.133 -2.862 1.00 0.00 C ATOM 1115 NZ LYS A 75 -18.462 -8.661 -2.729 1.00 0.00 N ATOM 0 H LYS A 75 -18.359 -3.708 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.075 -6.628 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.138 -4.607 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.730 -6.296 -4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.377 -5.487 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.155 -5.502 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.121 -7.614 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.455 -7.920 -4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.044 -7.423 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.560 -8.951 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.109 -8.473 -1.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.463 -9.686 -2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.845 -8.193 -3.423 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.652 -4.444 -2.507 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.227 -4.337 -2.799 1.00 0.00 C ATOM 1131 C ASP A 76 -13.349 -4.279 -1.530 1.00 0.00 C ATOM 1132 O ASP A 76 -13.575 -3.477 -0.621 1.00 0.00 O ATOM 1133 CB ASP A 76 -13.966 -3.110 -3.688 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.750 -3.137 -4.987 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -15.717 -2.359 -5.124 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -14.377 -3.913 -5.890 1.00 0.00 O ATOM 0 H ASP A 76 -16.110 -3.563 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.942 -5.246 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.223 -2.207 -3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.901 -3.053 -3.915 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.332 -5.140 -1.531 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.333 -5.289 -0.460 1.00 0.00 C ATOM 1143 C GLU A 77 -10.064 -4.532 -0.883 1.00 0.00 C ATOM 1144 O GLU A 77 -9.756 -4.481 -2.075 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.076 -6.807 -0.286 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.981 -7.232 0.689 1.00 0.00 C ATOM 1147 CD GLU A 77 -8.656 -7.475 -0.013 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.317 -8.662 -0.224 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -7.973 -6.510 -0.385 1.00 0.00 O ATOM 0 H GLU A 77 -12.170 -5.781 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.667 -4.876 0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.009 -7.271 0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.833 -7.221 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.853 -6.461 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.289 -8.141 1.206 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.359 -3.917 0.064 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.140 -3.156 -0.255 1.00 0.00 C ATOM 1158 C TYR A 78 -6.918 -3.754 0.439 1.00 0.00 C ATOM 1159 O TYR A 78 -6.923 -3.972 1.653 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.304 -1.679 0.136 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.327 -0.948 -0.702 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.934 -0.120 -1.743 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.684 -1.100 -0.459 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.869 0.531 -2.526 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.626 -0.447 -1.236 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.211 0.365 -2.266 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.142 0.999 -3.055 1.00 0.00 O ATOM 0 H TYR A 78 -9.604 -3.927 1.054 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.983 -3.217 -1.332 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.594 -1.618 1.185 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.341 -1.176 0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.882 0.018 -1.945 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -11.011 -1.738 0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.548 1.167 -3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.679 -0.574 -1.035 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.019 0.965 -2.618 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.870 -4.003 -0.346 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.662 -4.657 0.142 1.00 0.00 C ATOM 1179 C ALA A 79 -3.399 -3.910 -0.301 1.00 0.00 C ATOM 1180 O ALA A 79 -3.451 -3.098 -1.218 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.624 -6.086 -0.374 1.00 0.00 C ATOM 0 H ALA A 79 -5.837 -3.757 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.685 -4.652 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.722 -6.580 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.501 -6.625 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.621 -6.079 -1.464 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.270 -4.166 0.363 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.990 -3.620 -0.088 1.00 0.00 C ATOM 1189 C CYS A 80 0.068 -4.732 -0.192 1.00 0.00 C ATOM 1190 O CYS A 80 0.280 -5.494 0.752 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.521 -2.495 0.836 1.00 0.00 C ATOM 1192 SG CYS A 80 1.094 -1.778 0.387 1.00 0.00 S ATOM 0 H CYS A 80 -2.216 -4.740 1.204 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.130 -3.196 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.270 -1.703 0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.465 -2.878 1.855 1.00 0.00 H new ATOM 1197 N ARG A 81 0.688 -4.838 -1.366 1.00 0.00 N ATOM 1198 CA ARG A 81 1.644 -5.913 -1.685 1.00 0.00 C ATOM 1199 C ARG A 81 3.084 -5.404 -1.600 1.00 0.00 C ATOM 1200 O ARG A 81 3.391 -4.354 -2.154 1.00 0.00 O ATOM 1201 CB ARG A 81 1.364 -6.378 -3.118 1.00 0.00 C ATOM 1202 CG ARG A 81 1.948 -7.735 -3.532 1.00 0.00 C ATOM 1203 CD ARG A 81 1.439 -8.120 -4.929 1.00 0.00 C ATOM 1204 NE ARG A 81 1.816 -7.085 -5.902 1.00 0.00 N ATOM 1205 CZ ARG A 81 1.594 -7.142 -7.215 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.969 -8.181 -7.751 1.00 0.00 N ATOM 1207 NH2 ARG A 81 2.011 -6.143 -7.992 1.00 0.00 N ATOM 0 H ARG A 81 0.545 -4.180 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 81 1.526 -6.729 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.284 -6.416 -3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.747 -5.621 -3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.037 -7.687 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.663 -8.499 -2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.859 -9.081 -5.226 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.355 -8.237 -4.911 1.00 0.00 H new ATOM 0 HE ARG A 81 2.286 -6.254 -5.543 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.652 -8.948 -7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.805 -8.214 -8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.495 -5.345 -7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.846 -6.176 -8.998 1.00 0.00 H new ATOM 1221 N VAL A 82 3.962 -6.137 -0.918 1.00 0.00 N ATOM 1222 CA VAL A 82 5.373 -5.737 -0.861 1.00 0.00 C ATOM 1223 C VAL A 82 6.315 -6.923 -1.065 1.00 0.00 C ATOM 1224 O VAL A 82 6.083 -8.024 -0.559 1.00 0.00 O ATOM 1225 CB VAL A 82 5.728 -4.992 0.451 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.120 -5.951 1.570 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.833 -3.975 0.191 1.00 0.00 C ATOM 0 H VAL A 82 3.734 -6.990 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 82 5.515 -5.041 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 82 4.834 -4.467 0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.360 -5.383 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.290 -6.626 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.991 -6.531 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.076 -3.456 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.720 -4.488 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.495 -3.252 -0.551 1.00 0.00 H new ATOM 1237 N ASN A 83 7.362 -6.677 -1.843 1.00 0.00 N ATOM 1238 CA ASN A 83 8.384 -7.686 -2.110 1.00 0.00 C ATOM 1239 C ASN A 83 9.778 -7.093 -2.047 1.00 0.00 C ATOM 1240 O ASN A 83 10.002 -5.949 -2.444 1.00 0.00 O ATOM 1241 CB ASN A 83 8.164 -8.336 -3.479 1.00 0.00 C ATOM 1242 CG ASN A 83 9.011 -9.584 -3.672 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.351 -10.276 -2.708 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.339 -9.894 -4.916 1.00 0.00 N ATOM 0 H ASN A 83 7.528 -5.782 -2.303 1.00 0.00 H new ATOM 0 HA ASN A 83 8.296 -8.447 -1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.111 -8.594 -3.590 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.400 -7.616 -4.262 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.892 -10.730 -5.104 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.039 -9.297 -5.686 1.00 0.00 H new ATOM 1251 N HIS A 84 10.700 -7.888 -1.526 1.00 0.00 N ATOM 1252 CA HIS A 84 12.102 -7.525 -1.479 1.00 0.00 C ATOM 1253 C HIS A 84 12.940 -8.720 -1.913 1.00 0.00 C ATOM 1254 O HIS A 84 12.425 -9.842 -1.971 1.00 0.00 O ATOM 1255 CB HIS A 84 12.499 -7.073 -0.061 1.00 0.00 C ATOM 1256 CG HIS A 84 13.887 -6.509 0.052 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.963 -7.314 0.341 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.316 -5.231 -0.077 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.013 -6.513 0.383 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.671 -5.243 0.135 1.00 0.00 N ATOM 0 H HIS A 84 10.494 -8.803 -1.125 1.00 0.00 H new ATOM 0 HA HIS A 84 12.281 -6.691 -2.157 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.787 -6.321 0.279 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.411 -7.924 0.615 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.708 -4.368 -0.303 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.020 -6.842 0.591 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.298 -4.439 0.109 1.00 0.00 H new ATOM 1268 N VAL A 85 14.210 -8.484 -2.211 1.00 0.00 N ATOM 1269 CA VAL A 85 15.116 -9.545 -2.650 1.00 0.00 C ATOM 1270 C VAL A 85 15.063 -10.754 -1.711 1.00 0.00 C ATOM 1271 O VAL A 85 15.094 -11.902 -2.162 1.00 0.00 O ATOM 1272 CB VAL A 85 16.575 -9.039 -2.742 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.502 -10.122 -3.285 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.653 -7.790 -3.606 1.00 0.00 C ATOM 0 H VAL A 85 14.642 -7.562 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 85 14.780 -9.851 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 85 16.906 -8.788 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.520 -9.736 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.476 -10.988 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.173 -10.416 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.687 -7.448 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.294 -8.019 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.034 -7.006 -3.169 1.00 0.00 H new ATOM 1284 N THR A 86 14.940 -10.498 -0.412 1.00 0.00 N ATOM 1285 CA THR A 86 14.981 -11.576 0.580 1.00 0.00 C ATOM 1286 C THR A 86 13.703 -12.425 0.547 1.00 0.00 C ATOM 1287 O THR A 86 13.779 -13.650 0.412 1.00 0.00 O ATOM 1288 CB THR A 86 15.228 -11.036 2.018 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.051 -12.078 2.988 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.303 -9.869 2.345 1.00 0.00 C ATOM 0 H THR A 86 14.812 -9.565 -0.021 1.00 0.00 H new ATOM 0 HA THR A 86 15.824 -12.212 0.309 1.00 0.00 H new ATOM 0 HB THR A 86 16.257 -10.679 2.057 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.212 -11.720 3.886 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.504 -9.518 3.357 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.477 -9.058 1.638 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.266 -10.196 2.274 1.00 0.00 H new ATOM 1298 N LEU A 87 12.537 -11.780 0.682 1.00 0.00 N ATOM 1299 CA LEU A 87 11.260 -12.502 0.690 1.00 0.00 C ATOM 1300 C LEU A 87 11.120 -13.436 -0.504 1.00 0.00 C ATOM 1301 O LEU A 87 10.681 -14.573 -0.348 1.00 0.00 O ATOM 1302 CB LEU A 87 10.065 -11.542 0.685 1.00 0.00 C ATOM 1303 CG LEU A 87 10.100 -10.438 1.736 1.00 0.00 C ATOM 1304 CD1 LEU A 87 9.036 -9.390 1.448 1.00 0.00 C ATOM 1305 CD2 LEU A 87 9.919 -11.026 3.128 1.00 0.00 C ATOM 0 H LEU A 87 12.452 -10.769 0.786 1.00 0.00 H new ATOM 0 HA LEU A 87 11.261 -13.087 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.998 -11.079 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.154 -12.124 0.826 1.00 0.00 H new ATOM 0 HG LEU A 87 11.074 -9.950 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.077 -8.611 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.216 -8.949 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.052 -9.858 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.946 -10.226 3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.959 -11.539 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.722 -11.735 3.331 1.00 0.00 H new ATOM 1317 N SER A 88 11.474 -12.918 -1.692 1.00 0.00 N ATOM 1318 CA SER A 88 11.327 -13.604 -2.994 1.00 0.00 C ATOM 1319 C SER A 88 9.853 -13.849 -3.349 1.00 0.00 C ATOM 1320 O SER A 88 9.495 -13.968 -4.523 1.00 0.00 O ATOM 1321 CB SER A 88 12.149 -14.908 -3.072 1.00 0.00 C ATOM 1322 OG SER A 88 11.648 -15.921 -2.215 1.00 0.00 O ATOM 0 H SER A 88 11.881 -11.987 -1.779 1.00 0.00 H new ATOM 0 HA SER A 88 11.737 -12.927 -3.743 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.148 -15.273 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.186 -14.696 -2.810 1.00 0.00 H new ATOM 0 HG SER A 88 10.920 -15.557 -1.669 1.00 0.00 H new ATOM 1328 N GLN A 89 9.006 -13.905 -2.333 1.00 0.00 N ATOM 1329 CA GLN A 89 7.572 -14.010 -2.524 1.00 0.00 C ATOM 1330 C GLN A 89 6.888 -12.881 -1.749 1.00 0.00 C ATOM 1331 O GLN A 89 6.970 -12.835 -0.520 1.00 0.00 O ATOM 1332 CB GLN A 89 7.031 -15.389 -2.075 1.00 0.00 C ATOM 1333 CG GLN A 89 7.210 -15.714 -0.586 1.00 0.00 C ATOM 1334 CD GLN A 89 6.527 -17.005 -0.193 1.00 0.00 C ATOM 1335 OE1 GLN A 89 6.395 -17.928 -0.997 1.00 0.00 O ATOM 1336 NE2 GLN A 89 6.099 -17.083 1.055 1.00 0.00 N ATOM 0 H GLN A 89 9.295 -13.879 -1.355 1.00 0.00 H new ATOM 0 HA GLN A 89 7.352 -13.917 -3.587 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.969 -15.439 -2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.527 -16.163 -2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.273 -15.784 -0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.808 -14.896 0.013 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.229 -16.294 1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.639 -17.932 1.384 1.00 0.00 H new ATOM 1345 N PRO A 90 6.251 -11.917 -2.436 1.00 0.00 N ATOM 1346 CA PRO A 90 5.579 -10.813 -1.750 1.00 0.00 C ATOM 1347 C PRO A 90 4.351 -11.259 -0.992 1.00 0.00 C ATOM 1348 O PRO A 90 3.735 -12.279 -1.309 1.00 0.00 O ATOM 1349 CB PRO A 90 5.169 -9.854 -2.854 1.00 0.00 C ATOM 1350 CG PRO A 90 5.148 -10.675 -4.106 1.00 0.00 C ATOM 1351 CD PRO A 90 6.148 -11.810 -3.905 1.00 0.00 C ATOM 0 HA PRO A 90 6.244 -10.367 -1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.190 -9.419 -2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.874 -9.027 -2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.149 -11.069 -4.294 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.419 -10.069 -4.970 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.796 -12.740 -4.352 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.112 -11.582 -4.360 1.00 0.00 H new ATOM 1359 N LYS A 91 4.001 -10.483 0.011 1.00 0.00 N ATOM 1360 CA LYS A 91 2.837 -10.773 0.812 1.00 0.00 C ATOM 1361 C LYS A 91 1.817 -9.625 0.736 1.00 0.00 C ATOM 1362 O LYS A 91 2.179 -8.467 0.524 1.00 0.00 O ATOM 1363 CB LYS A 91 3.211 -11.101 2.272 1.00 0.00 C ATOM 1364 CG LYS A 91 4.669 -10.853 2.679 1.00 0.00 C ATOM 1365 CD LYS A 91 5.545 -12.041 2.309 1.00 0.00 C ATOM 1366 CE LYS A 91 5.336 -13.231 3.247 1.00 0.00 C ATOM 1367 NZ LYS A 91 5.567 -12.873 4.673 1.00 0.00 N ATOM 0 H LYS A 91 4.510 -9.644 0.290 1.00 0.00 H new ATOM 0 HA LYS A 91 2.368 -11.665 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.569 -10.513 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.980 -12.150 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.041 -9.954 2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.726 -10.674 3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.327 -12.345 1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.592 -11.740 2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.321 -13.609 3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.012 -14.038 2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.750 -13.737 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.388 -12.238 4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.725 -12.394 5.051 1.00 0.00 H new ATOM 1381 N ILE A 92 0.549 -9.986 0.887 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.554 -9.035 0.820 1.00 0.00 C ATOM 1383 C ILE A 92 -1.078 -8.721 2.215 1.00 0.00 C ATOM 1384 O ILE A 92 -1.252 -9.616 3.044 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.715 -9.533 -0.104 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.662 -8.846 -1.470 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.084 -9.302 0.510 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.401 -7.368 -1.384 1.00 0.00 C ATOM 0 H ILE A 92 0.256 -10.948 1.060 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.160 -8.121 0.376 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.569 -10.607 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.882 -9.311 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.606 -9.011 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.854 -9.665 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.154 -9.839 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.229 -8.236 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.376 -6.944 -2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.194 -6.891 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.443 -7.196 -0.893 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.308 -7.442 2.469 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.934 -6.999 3.700 1.00 0.00 C ATOM 1402 C VAL A 93 -3.271 -6.371 3.360 1.00 0.00 C ATOM 1403 O VAL A 93 -3.336 -5.440 2.562 1.00 0.00 O ATOM 1404 CB VAL A 93 -1.068 -5.967 4.457 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.777 -4.745 3.604 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.745 -5.558 5.757 1.00 0.00 C ATOM 0 H VAL A 93 -1.066 -6.686 1.828 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.057 -7.865 4.350 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.115 -6.442 4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.166 -4.043 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.241 -5.048 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.715 -4.266 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.122 -4.831 6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.716 -5.114 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.882 -6.436 6.388 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.338 -6.874 3.928 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.644 -6.362 3.588 1.00 0.00 C ATOM 1418 C LYS A 94 -6.222 -5.565 4.745 1.00 0.00 C ATOM 1419 O LYS A 94 -6.039 -5.915 5.914 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.563 -7.505 3.198 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.985 -8.367 2.097 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.574 -9.764 2.121 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.039 -10.586 3.286 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.468 -12.007 3.201 1.00 0.00 N ATOM 0 H LYS A 94 -4.332 -7.626 4.617 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.550 -5.690 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.759 -8.124 4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.521 -7.101 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.181 -7.904 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.902 -8.425 2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.660 -9.699 2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.345 -10.271 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.950 -10.535 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.388 -10.156 4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.084 -12.534 4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.507 -12.058 3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.113 -12.424 2.317 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.916 -4.495 4.410 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.434 -3.573 5.410 1.00 0.00 C ATOM 1440 C TRP A 95 -8.707 -4.138 6.044 1.00 0.00 C ATOM 1441 O TRP A 95 -9.649 -4.531 5.351 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.671 -2.185 4.783 1.00 0.00 C ATOM 1443 CG TRP A 95 -8.232 -1.150 5.724 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.755 -0.789 6.960 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.380 -0.317 5.484 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.550 0.179 7.509 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.554 0.486 6.629 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -10.282 -0.179 4.417 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.593 1.403 6.746 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -11.308 0.736 4.528 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.464 1.512 5.683 1.00 0.00 C ATOM 0 H TRP A 95 -7.137 -4.239 3.448 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.698 -3.453 6.205 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.726 -1.817 4.383 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.353 -2.295 3.940 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.878 -1.209 7.431 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.417 0.604 8.427 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -10.174 -0.779 3.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.713 2.006 7.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -12.003 0.856 3.710 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -12.285 2.211 5.742 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.699 -4.189 7.370 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.766 -4.809 8.155 1.00 0.00 C ATOM 1464 C ASP A 96 -11.085 -4.057 8.009 1.00 0.00 C ATOM 1465 O ASP A 96 -11.318 -3.057 8.690 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.351 -4.865 9.626 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.025 -5.579 9.821 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -6.989 -4.893 9.961 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -8.007 -6.827 9.822 1.00 0.00 O ATOM 0 H ASP A 96 -7.947 -3.799 7.938 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.922 -5.819 7.777 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.277 -3.851 10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.124 -5.375 10.201 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.949 -4.561 7.125 1.00 0.00 N ATOM 1475 CA ARG A 97 -13.275 -3.981 6.912 1.00 0.00 C ATOM 1476 C ARG A 97 -14.054 -4.792 5.884 1.00 0.00 C ATOM 1477 O ARG A 97 -15.264 -4.636 5.742 1.00 0.00 O ATOM 1478 CB ARG A 97 -13.146 -2.512 6.461 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.726 -2.312 4.999 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.928 -2.213 4.033 1.00 0.00 C ATOM 1481 NE ARG A 97 -15.187 -1.918 4.716 1.00 0.00 N ATOM 1482 CZ ARG A 97 -16.386 -2.250 4.236 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.493 -2.840 3.048 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -17.476 -1.995 4.947 1.00 0.00 N ATOM 0 H ARG A 97 -11.751 -5.375 6.542 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.824 -4.008 7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -14.103 -2.015 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -12.419 -2.014 7.103 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.128 -1.404 4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.089 -3.142 4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -13.731 -1.436 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.028 -3.152 3.488 1.00 0.00 H new ATOM 0 HE ARG A 97 -15.146 -1.430 5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.656 -3.040 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.412 -3.092 2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.396 -1.546 5.859 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.394 -2.248 4.582 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.360 -5.700 5.212 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.933 -6.404 4.063 1.00 0.00 C ATOM 1500 C ASP A 98 -13.068 -7.604 3.643 1.00 0.00 C ATOM 1501 O ASP A 98 -13.463 -8.377 2.772 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.085 -5.439 2.888 1.00 0.00 C ATOM 1503 CG ASP A 98 -14.875 -6.036 1.738 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -14.268 -6.386 0.711 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -16.112 -6.171 1.865 1.00 0.00 O ATOM 0 H ASP A 98 -12.402 -5.969 5.438 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.911 -6.784 4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.581 -4.531 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.097 -5.148 2.532 1.00 0.00 H new ATOM 1510 N MET A 99 -11.903 -7.772 4.283 1.00 0.00 N ATOM 1511 CA MET A 99 -10.973 -8.862 3.941 1.00 0.00 C ATOM 1512 C MET A 99 -11.671 -10.221 3.901 1.00 0.00 C ATOM 1513 CB MET A 99 -9.770 -8.937 4.902 1.00 0.00 C ATOM 1514 CG MET A 99 -9.971 -8.310 6.296 1.00 0.00 C ATOM 1515 SD MET A 99 -11.504 -8.803 7.110 1.00 0.00 S ATOM 1516 CE MET A 99 -11.252 -8.119 8.750 1.00 0.00 C ATOM 0 H MET A 99 -11.580 -7.169 5.040 1.00 0.00 H new ATOM 0 HA MET A 99 -10.603 -8.624 2.944 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.502 -9.985 5.034 1.00 0.00 H new ATOM 0 HB3 MET A 99 -8.920 -8.448 4.426 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.130 -8.586 6.932 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.956 -7.224 6.200 1.00 0.00 H new ATOM 0 HE1 MET A 99 -11.803 -8.712 9.480 1.00 0.00 H new ATOM 0 HE2 MET A 99 -10.190 -8.139 8.993 1.00 0.00 H new ATOM 0 HE3 MET A 99 -11.610 -7.090 8.774 1.00 0.00 H new TER 1525 MET A 99