USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 755 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 41 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.17) USER MOD Set 1.2: A 78 TYR OH : rot 52:sc= 0.179 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.575 K(o=-0.57,f=-2.1) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.59) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0361) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -103:sc= 0.596 USER MOD Single : A 13 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.62) USER MOD Single : A 17 ASN : amide:sc= -0.238 K(o=-0.24,f=-3.7!) USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00981) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.152 X(o=-0.15,f=0.038) USER MOD Single : A 24 ASN : amide:sc= -0.691 K(o=-0.69,f=-1.5) USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.317 F(o=-1.1,f=-0.32) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.27) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.297 (180deg=-0.871) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 84:sc= 0.271 USER MOD Single : A 57 SER OG : rot -127:sc= 1.2 USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= -0.0143 (180deg=-0.136) USER MOD Single : A 61 SER OG : rot 62:sc= 0.438 USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 160:sc= -0.526 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.368 USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 0.785 (180deg=0.784) USER MOD Single : A 83 ASN : amide:sc= -0.163 K(o=-0.16,f=-6.3!) USER MOD Single : A 84 HIS : no HD1:sc= -1.01! C(o=-1!,f=-9.1!) USER MOD Single : A 86 THR OG1 : rot 110:sc= -0.0812 USER MOD Single : A 88 SER OG : rot -26:sc= 0.164 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= -0.265 (180deg=-0.637) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 -4.832 -19.651 -1.702 1.00 0.00 N ATOM 40 CA GLN A 2 -4.867 -18.198 -1.670 1.00 0.00 C ATOM 41 C GLN A 2 -4.640 -17.665 -0.257 1.00 0.00 C ATOM 42 O GLN A 2 -5.538 -17.703 0.583 1.00 0.00 O ATOM 43 CB GLN A 2 -6.146 -17.657 -2.340 1.00 0.00 C ATOM 44 CG GLN A 2 -7.507 -17.891 -1.663 1.00 0.00 C ATOM 45 CD GLN A 2 -7.813 -19.363 -1.417 1.00 0.00 C ATOM 46 OE1 GLN A 2 -8.131 -20.096 -2.351 1.00 0.00 O ATOM 47 NE2 GLN A 2 -7.687 -19.806 -0.165 1.00 0.00 N ATOM 0 HA GLN A 2 -4.035 -17.819 -2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.022 -16.581 -2.462 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.199 -18.088 -3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.528 -17.359 -0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.293 -17.463 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.421 -19.162 0.580 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.857 -20.789 0.048 1.00 0.00 H new ATOM 56 N ARG A 3 -3.430 -17.156 -0.004 1.00 0.00 N ATOM 57 CA ARG A 3 -3.123 -16.386 1.192 1.00 0.00 C ATOM 58 C ARG A 3 -3.513 -14.939 0.903 1.00 0.00 C ATOM 59 O ARG A 3 -3.064 -14.357 -0.084 1.00 0.00 O ATOM 60 CB ARG A 3 -1.637 -16.516 1.549 1.00 0.00 C ATOM 61 CG ARG A 3 -1.306 -17.771 2.370 1.00 0.00 C ATOM 62 CD ARG A 3 -1.911 -19.045 1.776 1.00 0.00 C ATOM 63 NE ARG A 3 -1.385 -20.247 2.432 1.00 0.00 N ATOM 64 CZ ARG A 3 -1.930 -21.469 2.316 1.00 0.00 C ATOM 65 NH1 ARG A 3 -3.014 -21.660 1.549 1.00 0.00 N ATOM 66 NH2 ARG A 3 -1.387 -22.503 2.971 1.00 0.00 N ATOM 0 H ARG A 3 -2.634 -17.271 -0.632 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.679 -16.756 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.052 -16.529 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.329 -15.634 2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.224 -17.883 2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.673 -17.641 3.388 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.996 -19.017 1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.695 -19.088 0.708 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.553 -20.148 3.013 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.430 -20.874 1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.422 -22.591 1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.563 -22.361 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.797 -23.433 2.886 1.00 0.00 H new ATOM 80 N THR A 4 -4.387 -14.382 1.745 1.00 0.00 N ATOM 81 CA THR A 4 -4.958 -13.059 1.560 1.00 0.00 C ATOM 82 C THR A 4 -3.925 -11.994 1.961 1.00 0.00 C ATOM 83 O THR A 4 -3.282 -12.148 3.000 1.00 0.00 O ATOM 84 CB THR A 4 -6.234 -12.963 2.413 1.00 0.00 C ATOM 85 OG1 THR A 4 -7.013 -14.131 2.240 1.00 0.00 O ATOM 86 CG2 THR A 4 -7.092 -11.748 2.044 1.00 0.00 C ATOM 0 H THR A 4 -4.719 -14.852 2.587 1.00 0.00 H new ATOM 0 HA THR A 4 -5.219 -12.887 0.516 1.00 0.00 H new ATOM 0 HB THR A 4 -5.917 -12.855 3.450 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.824 -14.067 2.786 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.981 -11.725 2.674 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.516 -10.836 2.197 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.391 -11.818 0.998 1.00 0.00 H new ATOM 94 N PRO A 5 -3.743 -10.919 1.172 1.00 0.00 N ATOM 95 CA PRO A 5 -2.828 -9.837 1.499 1.00 0.00 C ATOM 96 C PRO A 5 -3.319 -9.071 2.725 1.00 0.00 C ATOM 97 O PRO A 5 -4.367 -8.431 2.680 1.00 0.00 O ATOM 98 CB PRO A 5 -2.766 -8.946 0.252 1.00 0.00 C ATOM 99 CG PRO A 5 -4.092 -9.214 -0.453 1.00 0.00 C ATOM 100 CD PRO A 5 -4.384 -10.674 -0.107 1.00 0.00 C ATOM 0 HA PRO A 5 -1.835 -10.206 1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.659 -7.894 0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.917 -9.203 -0.381 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.879 -8.550 -0.095 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.013 -9.064 -1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.457 -10.853 -0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.992 -11.342 -0.874 1.00 0.00 H new ATOM 108 N LYS A 6 -2.544 -9.131 3.813 1.00 0.00 N ATOM 109 CA LYS A 6 -2.744 -8.318 4.996 1.00 0.00 C ATOM 110 C LYS A 6 -2.161 -6.936 4.709 1.00 0.00 C ATOM 111 O LYS A 6 -0.944 -6.786 4.637 1.00 0.00 O ATOM 112 CB LYS A 6 -2.061 -8.979 6.200 1.00 0.00 C ATOM 113 CG LYS A 6 -2.565 -8.322 7.487 1.00 0.00 C ATOM 114 CD LYS A 6 -1.710 -8.745 8.687 1.00 0.00 C ATOM 115 CE LYS A 6 -2.089 -7.983 9.963 1.00 0.00 C ATOM 116 NZ LYS A 6 -3.500 -8.186 10.338 1.00 0.00 N ATOM 0 H LYS A 6 -1.746 -9.762 3.888 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.803 -8.223 5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.276 -10.047 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.979 -8.873 6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.539 -7.237 7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.605 -8.601 7.660 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.828 -9.815 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.658 -8.572 8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.447 -8.308 10.782 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.904 -6.919 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.687 -7.722 11.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.116 -7.775 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.694 -9.204 10.422 1.00 0.00 H new ATOM 130 N ILE A 7 -3.044 -5.949 4.523 1.00 0.00 N ATOM 131 CA ILE A 7 -2.708 -4.580 4.163 1.00 0.00 C ATOM 132 C ILE A 7 -2.659 -3.748 5.447 1.00 0.00 C ATOM 133 O ILE A 7 -3.629 -3.771 6.204 1.00 0.00 O ATOM 134 CB ILE A 7 -3.769 -4.007 3.193 1.00 0.00 C ATOM 135 CG1 ILE A 7 -4.276 -5.010 2.136 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.191 -2.782 2.473 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.615 -5.648 2.529 1.00 0.00 C ATOM 0 H ILE A 7 -4.049 -6.094 4.624 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.741 -4.550 3.661 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.628 -3.747 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.387 -4.500 1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.531 -5.793 1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.937 -2.377 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.921 -2.023 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.304 -3.075 1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.928 -6.346 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.500 -6.183 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.369 -4.870 2.643 1.00 0.00 H new ATOM 149 N GLN A 8 -1.569 -3.008 5.699 1.00 0.00 N ATOM 150 CA GLN A 8 -1.488 -2.066 6.794 1.00 0.00 C ATOM 151 C GLN A 8 -0.996 -0.734 6.223 1.00 0.00 C ATOM 152 O GLN A 8 0.197 -0.554 5.985 1.00 0.00 O ATOM 153 CB GLN A 8 -0.610 -2.628 7.922 1.00 0.00 C ATOM 154 CG GLN A 8 0.618 -3.451 7.506 1.00 0.00 C ATOM 155 CD GLN A 8 0.311 -4.884 7.068 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.634 -5.505 7.548 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.120 -5.416 6.151 1.00 0.00 N ATOM 0 H GLN A 8 -0.719 -3.057 5.137 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.461 -1.895 7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.267 -1.793 8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.236 -3.252 8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.123 -2.936 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.317 -3.483 8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.895 -4.869 5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.964 -6.370 5.825 1.00 0.00 H new ATOM 166 N VAL A 9 -1.943 0.181 5.976 1.00 0.00 N ATOM 167 CA VAL A 9 -1.695 1.479 5.369 1.00 0.00 C ATOM 168 C VAL A 9 -1.493 2.521 6.467 1.00 0.00 C ATOM 169 O VAL A 9 -2.466 2.986 7.056 1.00 0.00 O ATOM 170 CB VAL A 9 -2.858 1.878 4.446 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.523 3.207 3.759 1.00 0.00 C ATOM 172 CG2 VAL A 9 -3.138 0.805 3.388 1.00 0.00 C ATOM 0 H VAL A 9 -2.926 0.027 6.202 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.793 1.423 4.760 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.756 1.983 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.345 3.495 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.374 3.979 4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.612 3.093 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.966 1.125 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.249 0.658 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.398 -0.132 3.880 1.00 0.00 H new ATOM 182 N TYR A 10 -0.234 2.887 6.732 1.00 0.00 N ATOM 183 CA TYR A 10 0.116 3.841 7.785 1.00 0.00 C ATOM 184 C TYR A 10 0.858 5.051 7.217 1.00 0.00 C ATOM 185 O TYR A 10 1.379 4.993 6.105 1.00 0.00 O ATOM 186 CB TYR A 10 0.937 3.138 8.874 1.00 0.00 C ATOM 187 CG TYR A 10 2.244 2.523 8.416 1.00 0.00 C ATOM 188 CD1 TYR A 10 3.434 3.273 8.457 1.00 0.00 C ATOM 189 CD2 TYR A 10 2.287 1.165 8.050 1.00 0.00 C ATOM 190 CE1 TYR A 10 4.654 2.676 8.095 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.510 0.566 7.706 1.00 0.00 C ATOM 192 CZ TYR A 10 4.691 1.327 7.710 1.00 0.00 C ATOM 193 OH TYR A 10 5.876 0.759 7.348 1.00 0.00 O ATOM 0 H TYR A 10 0.572 2.528 6.220 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.804 4.216 8.234 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.152 3.858 9.663 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.323 2.354 9.317 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.410 4.307 8.767 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.378 0.582 8.034 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.565 3.257 8.113 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.543 -0.480 7.438 1.00 0.00 H new ATOM 0 HH TYR A 10 5.729 -0.180 7.111 1.00 0.00 H new ATOM 203 N SER A 11 0.932 6.130 8.008 1.00 0.00 N ATOM 204 CA SER A 11 1.821 7.258 7.761 1.00 0.00 C ATOM 205 C SER A 11 2.990 7.177 8.747 1.00 0.00 C ATOM 206 O SER A 11 2.765 6.908 9.927 1.00 0.00 O ATOM 207 CB SER A 11 1.082 8.588 7.930 1.00 0.00 C ATOM 208 OG SER A 11 1.959 9.653 7.628 1.00 0.00 O ATOM 0 H SER A 11 0.365 6.239 8.849 1.00 0.00 H new ATOM 0 HA SER A 11 2.187 7.212 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.213 8.620 7.273 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.713 8.685 8.951 1.00 0.00 H new ATOM 0 HG SER A 11 2.270 10.066 8.460 1.00 0.00 H new ATOM 214 N ARG A 12 4.224 7.422 8.286 1.00 0.00 N ATOM 215 CA ARG A 12 5.376 7.547 9.175 1.00 0.00 C ATOM 216 C ARG A 12 5.391 8.940 9.797 1.00 0.00 C ATOM 217 O ARG A 12 5.285 9.081 11.014 1.00 0.00 O ATOM 218 CB ARG A 12 6.690 7.290 8.423 1.00 0.00 C ATOM 219 CG ARG A 12 6.910 5.791 8.219 1.00 0.00 C ATOM 220 CD ARG A 12 8.222 5.515 7.482 1.00 0.00 C ATOM 221 NE ARG A 12 8.475 4.070 7.408 1.00 0.00 N ATOM 222 CZ ARG A 12 9.332 3.466 6.567 1.00 0.00 C ATOM 223 NH1 ARG A 12 10.084 4.181 5.719 1.00 0.00 N ATOM 224 NH2 ARG A 12 9.426 2.130 6.575 1.00 0.00 N ATOM 0 H ARG A 12 4.446 7.537 7.297 1.00 0.00 H new ATOM 0 HA ARG A 12 5.289 6.796 9.960 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.667 7.794 7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.524 7.712 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.921 5.288 9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.078 5.373 7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.177 5.934 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.046 6.009 7.997 1.00 0.00 H new ATOM 0 HE ARG A 12 7.955 3.473 8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.011 5.198 5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.730 3.708 5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.851 1.582 7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.073 1.660 5.941 1.00 0.00 H new ATOM 238 N HIS A 13 5.558 9.962 8.954 1.00 0.00 N ATOM 239 CA HIS A 13 5.714 11.342 9.386 1.00 0.00 C ATOM 240 C HIS A 13 4.371 11.879 9.899 1.00 0.00 C ATOM 241 O HIS A 13 3.321 11.389 9.485 1.00 0.00 O ATOM 242 CB HIS A 13 6.230 12.179 8.209 1.00 0.00 C ATOM 243 CG HIS A 13 7.626 11.863 7.734 1.00 0.00 C ATOM 244 ND1 HIS A 13 8.268 10.657 8.025 1.00 0.00 N ATOM 245 CD2 HIS A 13 8.457 12.624 6.954 1.00 0.00 C ATOM 246 CE1 HIS A 13 9.457 10.746 7.424 1.00 0.00 C ATOM 247 NE2 HIS A 13 9.622 11.909 6.773 1.00 0.00 N ATOM 0 H HIS A 13 5.588 9.847 7.941 1.00 0.00 H new ATOM 0 HA HIS A 13 6.435 11.401 10.201 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.545 12.052 7.371 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.194 13.231 8.493 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.239 13.604 6.555 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.205 9.967 7.458 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.446 12.205 6.249 1.00 0.00 H new ATOM 255 N PRO A 14 4.372 12.877 10.798 1.00 0.00 N ATOM 256 CA PRO A 14 3.146 13.447 11.329 1.00 0.00 C ATOM 257 C PRO A 14 2.526 14.331 10.247 1.00 0.00 C ATOM 258 O PRO A 14 3.177 15.255 9.768 1.00 0.00 O ATOM 259 CB PRO A 14 3.572 14.240 12.565 1.00 0.00 C ATOM 260 CG PRO A 14 5.001 14.676 12.239 1.00 0.00 C ATOM 261 CD PRO A 14 5.538 13.551 11.349 1.00 0.00 C ATOM 0 HA PRO A 14 2.394 12.708 11.607 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.921 15.097 12.735 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.536 13.628 13.466 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.017 15.636 11.723 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.599 14.790 13.143 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.168 13.951 10.554 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.152 12.858 11.925 1.00 0.00 H new ATOM 269 N ALA A 15 1.299 14.013 9.820 1.00 0.00 N ATOM 270 CA ALA A 15 0.659 14.671 8.690 1.00 0.00 C ATOM 271 C ALA A 15 0.399 16.150 8.997 1.00 0.00 C ATOM 272 O ALA A 15 -0.355 16.472 9.913 1.00 0.00 O ATOM 273 CB ALA A 15 -0.617 13.915 8.314 1.00 0.00 C ATOM 0 H ALA A 15 0.726 13.289 10.254 1.00 0.00 H new ATOM 0 HA ALA A 15 1.325 14.649 7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.096 14.408 7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.366 12.890 8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.300 13.908 9.164 1.00 0.00 H new ATOM 279 N GLU A 16 1.057 17.033 8.235 1.00 0.00 N ATOM 280 CA GLU A 16 1.086 18.480 8.430 1.00 0.00 C ATOM 281 C GLU A 16 0.580 19.181 7.167 1.00 0.00 C ATOM 282 O GLU A 16 1.108 18.945 6.082 1.00 0.00 O ATOM 283 CB GLU A 16 2.526 18.915 8.737 1.00 0.00 C ATOM 284 CG GLU A 16 2.912 18.649 10.195 1.00 0.00 C ATOM 285 CD GLU A 16 4.395 18.933 10.423 1.00 0.00 C ATOM 286 OE1 GLU A 16 4.715 20.115 10.678 1.00 0.00 O ATOM 287 OE2 GLU A 16 5.188 17.973 10.315 1.00 0.00 O ATOM 0 H GLU A 16 1.608 16.739 7.429 1.00 0.00 H new ATOM 0 HA GLU A 16 0.440 18.754 9.264 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.213 18.383 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.636 19.978 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.311 19.275 10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.692 17.613 10.451 1.00 0.00 H new ATOM 294 N ASN A 17 -0.431 20.049 7.320 1.00 0.00 N ATOM 295 CA ASN A 17 -1.090 20.750 6.223 1.00 0.00 C ATOM 296 C ASN A 17 -0.078 21.560 5.401 1.00 0.00 C ATOM 297 O ASN A 17 0.486 22.538 5.888 1.00 0.00 O ATOM 298 CB ASN A 17 -2.225 21.629 6.773 1.00 0.00 C ATOM 299 CG ASN A 17 -3.099 22.250 5.678 1.00 0.00 C ATOM 300 OD1 ASN A 17 -2.755 22.240 4.498 1.00 0.00 O ATOM 301 ND2 ASN A 17 -4.252 22.797 6.070 1.00 0.00 N ATOM 0 H ASN A 17 -0.818 20.284 8.234 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.530 20.019 5.545 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.853 21.029 7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.796 22.426 7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.875 23.222 5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.510 22.790 7.057 1.00 0.00 H new ATOM 308 N GLY A 18 0.132 21.139 4.149 1.00 0.00 N ATOM 309 CA GLY A 18 1.013 21.764 3.181 1.00 0.00 C ATOM 310 C GLY A 18 2.481 21.531 3.525 1.00 0.00 C ATOM 311 O GLY A 18 3.262 22.481 3.540 1.00 0.00 O ATOM 0 H GLY A 18 -0.334 20.313 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.804 21.366 2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.813 22.835 3.144 1.00 0.00 H new ATOM 315 N LYS A 19 2.857 20.274 3.798 1.00 0.00 N ATOM 316 CA LYS A 19 4.215 19.916 4.182 1.00 0.00 C ATOM 317 C LYS A 19 4.472 18.434 3.943 1.00 0.00 C ATOM 318 O LYS A 19 3.885 17.567 4.588 1.00 0.00 O ATOM 319 CB LYS A 19 4.432 20.251 5.635 1.00 0.00 C ATOM 320 CG LYS A 19 5.867 20.007 6.104 1.00 0.00 C ATOM 321 CD LYS A 19 5.986 20.657 7.481 1.00 0.00 C ATOM 322 CE LYS A 19 7.127 20.077 8.320 1.00 0.00 C ATOM 323 NZ LYS A 19 8.437 20.272 7.679 1.00 0.00 N ATOM 0 H LYS A 19 2.219 19.479 3.756 1.00 0.00 H new ATOM 0 HA LYS A 19 4.914 20.485 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.176 21.297 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.752 19.655 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.082 18.940 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.583 20.441 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.141 21.729 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.046 20.530 8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.130 20.549 9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.956 19.012 8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.187 19.926 8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.467 19.744 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.584 21.284 7.490 1.00 0.00 H new ATOM 337 N SER A 20 5.371 18.191 2.995 1.00 0.00 N ATOM 338 CA SER A 20 5.658 16.872 2.439 1.00 0.00 C ATOM 339 C SER A 20 5.995 15.869 3.544 1.00 0.00 C ATOM 340 O SER A 20 6.690 16.205 4.503 1.00 0.00 O ATOM 341 CB SER A 20 6.816 16.951 1.446 1.00 0.00 C ATOM 342 OG SER A 20 6.906 15.757 0.693 1.00 0.00 O ATOM 0 H SER A 20 5.938 18.930 2.579 1.00 0.00 H new ATOM 0 HA SER A 20 4.763 16.529 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.672 17.800 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.750 17.122 1.981 1.00 0.00 H new ATOM 0 HG SER A 20 7.652 15.825 0.061 1.00 0.00 H new ATOM 348 N ASN A 21 5.466 14.653 3.408 1.00 0.00 N ATOM 349 CA ASN A 21 5.301 13.710 4.505 1.00 0.00 C ATOM 350 C ASN A 21 5.779 12.315 4.075 1.00 0.00 C ATOM 351 O ASN A 21 6.708 12.234 3.274 1.00 0.00 O ATOM 352 CB ASN A 21 3.817 13.770 4.893 1.00 0.00 C ATOM 353 CG ASN A 21 3.582 13.518 6.373 1.00 0.00 C ATOM 354 OD1 ASN A 21 2.998 12.509 6.758 1.00 0.00 O ATOM 355 ND2 ASN A 21 4.033 14.460 7.201 1.00 0.00 N ATOM 0 H ASN A 21 5.135 14.293 2.513 1.00 0.00 H new ATOM 0 HA ASN A 21 5.907 13.957 5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.417 14.749 4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.265 13.032 4.312 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.899 14.361 8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.512 15.280 6.828 1.00 0.00 H new ATOM 362 N PHE A 22 5.167 11.225 4.572 1.00 0.00 N ATOM 363 CA PHE A 22 5.477 9.871 4.109 1.00 0.00 C ATOM 364 C PHE A 22 4.338 8.881 4.390 1.00 0.00 C ATOM 365 O PHE A 22 3.983 8.660 5.546 1.00 0.00 O ATOM 366 CB PHE A 22 6.800 9.359 4.703 1.00 0.00 C ATOM 367 CG PHE A 22 7.905 9.190 3.678 1.00 0.00 C ATOM 368 CD1 PHE A 22 7.850 8.124 2.760 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.937 10.141 3.580 1.00 0.00 C ATOM 370 CE1 PHE A 22 8.811 8.022 1.738 1.00 0.00 C ATOM 371 CE2 PHE A 22 9.902 10.034 2.564 1.00 0.00 C ATOM 372 CZ PHE A 22 9.836 8.978 1.639 1.00 0.00 C ATOM 0 H PHE A 22 4.452 11.262 5.298 1.00 0.00 H new ATOM 0 HA PHE A 22 5.591 9.936 3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.135 10.054 5.473 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.622 8.402 5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.068 7.383 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.988 10.955 4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 22 8.761 7.209 1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.695 10.764 2.494 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.572 8.901 0.853 1.00 0.00 H new ATOM 382 N LEU A 23 3.801 8.280 3.317 1.00 0.00 N ATOM 383 CA LEU A 23 2.712 7.307 3.303 1.00 0.00 C ATOM 384 C LEU A 23 3.272 5.935 2.930 1.00 0.00 C ATOM 385 O LEU A 23 4.187 5.847 2.113 1.00 0.00 O ATOM 386 CB LEU A 23 1.658 7.785 2.299 1.00 0.00 C ATOM 387 CG LEU A 23 0.433 6.892 2.102 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.341 6.747 3.411 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.484 7.572 1.076 1.00 0.00 C ATOM 0 H LEU A 23 4.143 8.478 2.377 1.00 0.00 H new ATOM 0 HA LEU A 23 2.244 7.218 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.312 8.770 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.144 7.912 1.332 1.00 0.00 H new ATOM 0 HG LEU A 23 0.753 5.906 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.210 6.108 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.304 6.300 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.671 7.729 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.369 6.956 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.786 8.550 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.051 7.693 0.134 1.00 0.00 H new ATOM 401 N ASN A 24 2.754 4.876 3.568 1.00 0.00 N ATOM 402 CA ASN A 24 3.347 3.545 3.568 1.00 0.00 C ATOM 403 C ASN A 24 2.255 2.482 3.441 1.00 0.00 C ATOM 404 O ASN A 24 1.609 2.147 4.434 1.00 0.00 O ATOM 405 CB ASN A 24 4.113 3.333 4.876 1.00 0.00 C ATOM 406 CG ASN A 24 5.258 4.322 5.086 1.00 0.00 C ATOM 407 OD1 ASN A 24 5.040 5.512 5.301 1.00 0.00 O ATOM 408 ND2 ASN A 24 6.493 3.825 5.061 1.00 0.00 N ATOM 0 H ASN A 24 1.891 4.930 4.109 1.00 0.00 H new ATOM 0 HA ASN A 24 4.028 3.457 2.721 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.417 3.414 5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.513 2.319 4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.293 4.437 5.223 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.640 2.832 4.880 1.00 0.00 H new ATOM 415 N CYS A 25 2.074 1.927 2.235 1.00 0.00 N ATOM 416 CA CYS A 25 1.088 0.882 1.977 1.00 0.00 C ATOM 417 C CYS A 25 1.738 -0.485 2.190 1.00 0.00 C ATOM 418 O CYS A 25 1.898 -1.244 1.238 1.00 0.00 O ATOM 419 CB CYS A 25 0.565 0.974 0.532 1.00 0.00 C ATOM 420 SG CYS A 25 -0.020 2.580 -0.052 1.00 0.00 S ATOM 0 H CYS A 25 2.612 2.195 1.411 1.00 0.00 H new ATOM 0 HA CYS A 25 0.250 1.013 2.662 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.363 0.646 -0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.253 0.261 0.426 1.00 0.00 H new ATOM 425 N TYR A 26 2.135 -0.811 3.423 1.00 0.00 N ATOM 426 CA TYR A 26 2.845 -2.054 3.685 1.00 0.00 C ATOM 427 C TYR A 26 1.876 -3.223 3.524 1.00 0.00 C ATOM 428 O TYR A 26 0.755 -3.148 4.020 1.00 0.00 O ATOM 429 CB TYR A 26 3.450 -2.001 5.092 1.00 0.00 C ATOM 430 CG TYR A 26 4.128 -3.273 5.578 1.00 0.00 C ATOM 431 CD1 TYR A 26 4.853 -4.092 4.693 1.00 0.00 C ATOM 432 CD2 TYR A 26 4.015 -3.654 6.928 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.344 -5.337 5.117 1.00 0.00 C ATOM 434 CE2 TYR A 26 4.486 -4.908 7.351 1.00 0.00 C ATOM 435 CZ TYR A 26 5.146 -5.755 6.443 1.00 0.00 C ATOM 436 OH TYR A 26 5.600 -6.978 6.844 1.00 0.00 O ATOM 0 H TYR A 26 1.976 -0.232 4.247 1.00 0.00 H new ATOM 0 HA TYR A 26 3.661 -2.192 2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.179 -1.191 5.122 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.659 -1.744 5.796 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.033 -3.761 3.681 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.565 -2.980 7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.874 -5.973 4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.341 -5.222 8.374 1.00 0.00 H new ATOM 0 HH TYR A 26 5.384 -7.113 7.790 1.00 0.00 H new ATOM 446 N VAL A 27 2.299 -4.289 2.831 1.00 0.00 N ATOM 447 CA VAL A 27 1.506 -5.501 2.681 1.00 0.00 C ATOM 448 C VAL A 27 2.390 -6.699 2.996 1.00 0.00 C ATOM 449 O VAL A 27 3.560 -6.720 2.614 1.00 0.00 O ATOM 450 CB VAL A 27 0.911 -5.631 1.267 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.228 -6.657 1.263 1.00 0.00 C ATOM 452 CG2 VAL A 27 0.326 -4.318 0.768 1.00 0.00 C ATOM 0 H VAL A 27 3.203 -4.328 2.361 1.00 0.00 H new ATOM 0 HA VAL A 27 0.665 -5.456 3.373 1.00 0.00 H new ATOM 0 HB VAL A 27 1.730 -5.938 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.640 -6.739 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.155 -7.627 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.010 -6.335 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.082 -4.458 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.468 -3.994 1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.108 -3.559 0.738 1.00 0.00 H new ATOM 462 N SER A 28 1.815 -7.704 3.665 1.00 0.00 N ATOM 463 CA SER A 28 2.444 -8.997 3.871 1.00 0.00 C ATOM 464 C SER A 28 1.388 -10.097 3.979 1.00 0.00 C ATOM 465 O SER A 28 0.196 -9.823 3.866 1.00 0.00 O ATOM 466 CB SER A 28 3.374 -8.953 5.098 1.00 0.00 C ATOM 467 OG SER A 28 2.626 -8.666 6.260 1.00 0.00 O ATOM 0 H SER A 28 0.887 -7.633 4.081 1.00 0.00 H new ATOM 0 HA SER A 28 3.064 -9.234 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.885 -9.909 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.144 -8.195 4.954 1.00 0.00 H new ATOM 0 HG SER A 28 3.224 -8.641 7.036 1.00 0.00 H new ATOM 473 N GLY A 29 1.826 -11.347 4.178 1.00 0.00 N ATOM 474 CA GLY A 29 0.948 -12.486 4.404 1.00 0.00 C ATOM 475 C GLY A 29 0.723 -13.288 3.123 1.00 0.00 C ATOM 476 O GLY A 29 0.800 -14.515 3.146 1.00 0.00 O ATOM 0 H GLY A 29 2.816 -11.591 4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.380 -13.133 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.010 -12.136 4.788 1.00 0.00 H new ATOM 480 N PHE A 30 0.436 -12.591 2.018 1.00 0.00 N ATOM 481 CA PHE A 30 0.010 -13.174 0.752 1.00 0.00 C ATOM 482 C PHE A 30 1.045 -14.116 0.129 1.00 0.00 C ATOM 483 O PHE A 30 2.208 -14.104 0.507 1.00 0.00 O ATOM 484 CB PHE A 30 -0.355 -12.049 -0.223 1.00 0.00 C ATOM 485 CG PHE A 30 0.781 -11.096 -0.547 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.663 -11.404 -1.598 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.990 -9.926 0.213 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.742 -10.559 -1.892 1.00 0.00 C ATOM 489 CE2 PHE A 30 2.098 -9.105 -0.053 1.00 0.00 C ATOM 490 CZ PHE A 30 2.977 -9.429 -1.097 1.00 0.00 C ATOM 0 H PHE A 30 0.497 -11.573 1.985 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.862 -13.794 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.714 -12.494 -1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.182 -11.477 0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.508 -12.298 -2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.298 -9.662 0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.390 -10.778 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.273 -8.224 0.546 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.838 -8.806 -1.289 1.00 0.00 H new ATOM 500 N HIS A 31 0.604 -14.905 -0.857 1.00 0.00 N ATOM 501 CA HIS A 31 1.422 -15.691 -1.778 1.00 0.00 C ATOM 502 C HIS A 31 0.475 -16.126 -2.905 1.00 0.00 C ATOM 503 O HIS A 31 -0.712 -16.314 -2.629 1.00 0.00 O ATOM 504 CB HIS A 31 2.140 -16.862 -1.072 1.00 0.00 C ATOM 505 CG HIS A 31 1.444 -18.202 -1.088 1.00 0.00 C ATOM 506 ND1 HIS A 31 1.153 -19.014 -2.153 1.00 0.00 N flip ATOM 507 CD2 HIS A 31 1.144 -18.886 0.090 1.00 0.00 C flip ATOM 508 CE1 HIS A 31 0.632 -20.186 -1.652 1.00 0.00 C flip ATOM 509 NE2 HIS A 31 0.672 -20.070 -0.316 1.00 0.00 N flip ATOM 0 H HIS A 31 -0.393 -15.016 -1.042 1.00 0.00 H new ATOM 0 HA HIS A 31 2.247 -15.107 -2.187 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.121 -16.984 -1.531 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.308 -16.580 -0.033 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.266 -18.537 1.105 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.265 -21.028 -2.220 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.374 -20.807 0.323 1.00 0.00 H new ATOM 517 N PRO A 32 0.926 -16.284 -4.162 1.00 0.00 N ATOM 518 CA PRO A 32 2.313 -16.347 -4.612 1.00 0.00 C ATOM 519 C PRO A 32 2.908 -14.958 -4.896 1.00 0.00 C ATOM 520 O PRO A 32 2.399 -13.943 -4.422 1.00 0.00 O ATOM 521 CB PRO A 32 2.251 -17.246 -5.857 1.00 0.00 C ATOM 522 CG PRO A 32 0.911 -16.858 -6.472 1.00 0.00 C ATOM 523 CD PRO A 32 0.035 -16.703 -5.233 1.00 0.00 C ATOM 0 HA PRO A 32 2.982 -16.748 -3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.081 -17.056 -6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.288 -18.304 -5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.976 -15.933 -7.045 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.533 -17.626 -7.147 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.749 -15.965 -5.400 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.459 -17.642 -4.985 1.00 0.00 H new ATOM 531 N SER A 33 4.017 -14.932 -5.646 1.00 0.00 N ATOM 532 CA SER A 33 4.950 -13.821 -5.774 1.00 0.00 C ATOM 533 C SER A 33 4.488 -12.706 -6.732 1.00 0.00 C ATOM 534 O SER A 33 5.328 -12.111 -7.404 1.00 0.00 O ATOM 535 CB SER A 33 6.297 -14.412 -6.229 1.00 0.00 C ATOM 536 OG SER A 33 6.198 -14.953 -7.531 1.00 0.00 O ATOM 0 H SER A 33 4.297 -15.735 -6.209 1.00 0.00 H new ATOM 0 HA SER A 33 5.027 -13.327 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.063 -13.637 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.612 -15.188 -5.532 1.00 0.00 H new ATOM 0 HG SER A 33 7.066 -15.321 -7.799 1.00 0.00 H new ATOM 542 N ASP A 34 3.181 -12.415 -6.815 1.00 0.00 N ATOM 543 CA ASP A 34 2.628 -11.556 -7.862 1.00 0.00 C ATOM 544 C ASP A 34 1.634 -10.538 -7.288 1.00 0.00 C ATOM 545 O ASP A 34 0.462 -10.866 -7.105 1.00 0.00 O ATOM 546 CB ASP A 34 1.990 -12.462 -8.927 1.00 0.00 C ATOM 547 CG ASP A 34 1.543 -11.703 -10.178 1.00 0.00 C ATOM 548 OD1 ASP A 34 0.648 -10.840 -10.048 1.00 0.00 O ATOM 549 OD2 ASP A 34 2.098 -12.013 -11.254 1.00 0.00 O ATOM 0 H ASP A 34 2.484 -12.769 -6.160 1.00 0.00 H new ATOM 0 HA ASP A 34 3.419 -10.963 -8.321 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.705 -13.233 -9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.130 -12.971 -8.493 1.00 0.00 H new ATOM 554 N ILE A 35 2.099 -9.310 -7.004 1.00 0.00 N ATOM 555 CA ILE A 35 1.252 -8.209 -6.539 1.00 0.00 C ATOM 556 C ILE A 35 1.652 -6.868 -7.154 1.00 0.00 C ATOM 557 O ILE A 35 2.810 -6.654 -7.508 1.00 0.00 O ATOM 558 CB ILE A 35 1.232 -8.162 -5.000 1.00 0.00 C ATOM 559 CG1 ILE A 35 0.226 -7.174 -4.390 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.603 -7.859 -4.427 1.00 0.00 C ATOM 561 CD1 ILE A 35 0.005 -7.451 -2.899 1.00 0.00 C ATOM 0 H ILE A 35 3.083 -9.056 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 35 0.236 -8.401 -6.883 1.00 0.00 H new ATOM 0 HB ILE A 35 0.908 -9.165 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.589 -6.155 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.724 -7.246 -4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.545 -7.835 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.306 -8.633 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.945 -6.891 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.712 -6.734 -2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.382 -8.462 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.951 -7.354 -2.367 1.00 0.00 H new ATOM 573 N GLU A 36 0.661 -5.975 -7.257 1.00 0.00 N ATOM 574 CA GLU A 36 0.746 -4.644 -7.833 1.00 0.00 C ATOM 575 C GLU A 36 0.089 -3.643 -6.882 1.00 0.00 C ATOM 576 O GLU A 36 -1.046 -3.869 -6.459 1.00 0.00 O ATOM 577 CB GLU A 36 0.019 -4.615 -9.176 1.00 0.00 C ATOM 578 CG GLU A 36 0.322 -5.852 -10.018 1.00 0.00 C ATOM 579 CD GLU A 36 -0.094 -5.648 -11.472 1.00 0.00 C ATOM 580 OE1 GLU A 36 -1.187 -5.073 -11.676 1.00 0.00 O ATOM 581 OE2 GLU A 36 0.691 -6.053 -12.355 1.00 0.00 O ATOM 0 H GLU A 36 -0.278 -6.184 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 36 1.793 -4.381 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.055 -4.547 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.311 -3.721 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.388 -6.075 -9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.203 -6.713 -9.605 1.00 0.00 H new ATOM 588 N VAL A 37 0.797 -2.557 -6.539 1.00 0.00 N ATOM 589 CA VAL A 37 0.365 -1.591 -5.534 1.00 0.00 C ATOM 590 C VAL A 37 0.783 -0.184 -5.967 1.00 0.00 C ATOM 591 O VAL A 37 1.905 0.238 -5.690 1.00 0.00 O ATOM 592 CB VAL A 37 0.949 -1.977 -4.157 1.00 0.00 C ATOM 593 CG1 VAL A 37 0.495 -1.084 -2.995 1.00 0.00 C ATOM 594 CG2 VAL A 37 0.564 -3.412 -3.795 1.00 0.00 C ATOM 0 H VAL A 37 1.697 -2.327 -6.961 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.721 -1.600 -5.442 1.00 0.00 H new ATOM 0 HB VAL A 37 2.025 -1.853 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.955 -1.430 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.797 -0.055 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.590 -1.132 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.984 -3.667 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.522 -3.498 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.955 -4.095 -4.549 1.00 0.00 H new ATOM 604 N ASP A 38 -0.134 0.549 -6.616 1.00 0.00 N ATOM 605 CA ASP A 38 0.010 1.984 -6.840 1.00 0.00 C ATOM 606 C ASP A 38 -0.583 2.718 -5.640 1.00 0.00 C ATOM 607 O ASP A 38 -1.421 2.174 -4.922 1.00 0.00 O ATOM 608 CB ASP A 38 -0.699 2.444 -8.127 1.00 0.00 C ATOM 609 CG ASP A 38 -0.063 1.877 -9.392 1.00 0.00 C ATOM 610 OD1 ASP A 38 -0.355 0.700 -9.700 1.00 0.00 O ATOM 611 OD2 ASP A 38 0.686 2.641 -10.040 1.00 0.00 O ATOM 0 H ASP A 38 -0.995 0.157 -6.998 1.00 0.00 H new ATOM 0 HA ASP A 38 1.070 2.212 -6.956 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.746 2.142 -8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.683 3.533 -8.175 1.00 0.00 H new ATOM 616 N LEU A 39 -0.174 3.975 -5.458 1.00 0.00 N ATOM 617 CA LEU A 39 -0.850 4.918 -4.588 1.00 0.00 C ATOM 618 C LEU A 39 -1.656 5.861 -5.472 1.00 0.00 C ATOM 619 O LEU A 39 -1.255 6.134 -6.602 1.00 0.00 O ATOM 620 CB LEU A 39 0.181 5.669 -3.752 1.00 0.00 C ATOM 621 CG LEU A 39 0.803 4.756 -2.686 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.236 4.365 -3.057 1.00 0.00 C ATOM 623 CD2 LEU A 39 0.750 5.465 -1.330 1.00 0.00 C ATOM 0 H LEU A 39 0.648 4.364 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.522 4.412 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.964 6.060 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.291 6.525 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 39 0.231 3.830 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.649 3.719 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.233 3.835 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.847 5.263 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.190 4.823 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.309 6.399 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.287 5.678 -1.071 1.00 0.00 H new ATOM 635 N LEU A 40 -2.822 6.302 -4.989 1.00 0.00 N ATOM 636 CA LEU A 40 -3.830 6.919 -5.833 1.00 0.00 C ATOM 637 C LEU A 40 -4.687 7.855 -4.986 1.00 0.00 C ATOM 638 O LEU A 40 -5.331 7.407 -4.038 1.00 0.00 O ATOM 639 CB LEU A 40 -4.664 5.805 -6.490 1.00 0.00 C ATOM 640 CG LEU A 40 -5.180 6.117 -7.903 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.048 7.377 -7.947 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.023 6.216 -8.902 1.00 0.00 C ATOM 0 H LEU A 40 -3.085 6.238 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.374 7.515 -6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.059 4.899 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.518 5.587 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.818 5.283 -8.194 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.386 7.551 -8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.913 7.246 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.465 8.233 -7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.417 6.438 -9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.344 7.012 -8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.484 5.269 -8.929 1.00 0.00 H new ATOM 654 N LYS A 41 -4.679 9.154 -5.310 1.00 0.00 N ATOM 655 CA LYS A 41 -5.429 10.157 -4.582 1.00 0.00 C ATOM 656 C LYS A 41 -6.892 10.188 -5.044 1.00 0.00 C ATOM 657 O LYS A 41 -7.497 9.148 -5.297 1.00 0.00 O ATOM 658 CB LYS A 41 -4.713 11.494 -4.787 1.00 0.00 C ATOM 659 CG LYS A 41 -3.235 11.421 -4.415 1.00 0.00 C ATOM 660 CD LYS A 41 -2.436 12.387 -5.283 1.00 0.00 C ATOM 661 CE LYS A 41 -2.963 13.811 -5.119 1.00 0.00 C ATOM 662 NZ LYS A 41 -2.038 14.813 -5.673 1.00 0.00 N ATOM 0 H LYS A 41 -4.144 9.530 -6.093 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.466 9.928 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.809 11.799 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.200 12.261 -4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.103 11.669 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.866 10.405 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.382 12.348 -5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.502 12.086 -6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.930 13.898 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.127 14.016 -4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.444 15.763 -5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.128 14.760 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.887 14.624 -6.685 1.00 0.00 H new ATOM 676 N ASN A 42 -7.437 11.399 -5.193 1.00 0.00 N ATOM 677 CA ASN A 42 -8.681 11.689 -5.893 1.00 0.00 C ATOM 678 C ASN A 42 -8.708 11.091 -7.306 1.00 0.00 C ATOM 679 O ASN A 42 -9.743 10.579 -7.726 1.00 0.00 O ATOM 680 CB ASN A 42 -8.906 13.211 -5.919 1.00 0.00 C ATOM 681 CG ASN A 42 -7.632 13.996 -6.245 1.00 0.00 C ATOM 682 OD1 ASN A 42 -6.998 14.544 -5.346 1.00 0.00 O ATOM 683 ND2 ASN A 42 -7.220 14.021 -7.513 1.00 0.00 N ATOM 0 H ASN A 42 -7.000 12.237 -4.810 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.499 11.214 -5.351 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.672 13.447 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.288 13.533 -4.950 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.356 14.505 -7.759 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.769 13.557 -8.237 1.00 0.00 H new ATOM 690 N GLY A 43 -7.592 11.145 -8.043 1.00 0.00 N ATOM 691 CA GLY A 43 -7.524 10.610 -9.396 1.00 0.00 C ATOM 692 C GLY A 43 -6.166 10.881 -10.037 1.00 0.00 C ATOM 693 O GLY A 43 -6.095 11.273 -11.200 1.00 0.00 O ATOM 0 H GLY A 43 -6.719 11.559 -7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.709 9.536 -9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.310 11.056 -10.005 1.00 0.00 H new ATOM 697 N GLU A 44 -5.094 10.680 -9.264 1.00 0.00 N ATOM 698 CA GLU A 44 -3.723 10.960 -9.657 1.00 0.00 C ATOM 699 C GLU A 44 -2.801 10.121 -8.773 1.00 0.00 C ATOM 700 O GLU A 44 -3.077 9.988 -7.581 1.00 0.00 O ATOM 701 CB GLU A 44 -3.483 12.461 -9.459 1.00 0.00 C ATOM 702 CG GLU A 44 -2.080 12.899 -9.882 1.00 0.00 C ATOM 703 CD GLU A 44 -1.887 14.389 -9.630 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.751 14.745 -8.438 1.00 0.00 O ATOM 705 OE2 GLU A 44 -1.895 15.147 -10.623 1.00 0.00 O ATOM 0 H GLU A 44 -5.167 10.306 -8.318 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.528 10.707 -10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.222 13.021 -10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.636 12.713 -8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.333 12.331 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.928 12.680 -10.939 1.00 0.00 H new ATOM 712 N ARG A 45 -1.724 9.555 -9.340 1.00 0.00 N ATOM 713 CA ARG A 45 -0.746 8.785 -8.576 1.00 0.00 C ATOM 714 C ARG A 45 0.467 9.632 -8.201 1.00 0.00 C ATOM 715 O ARG A 45 0.659 10.736 -8.709 1.00 0.00 O ATOM 716 CB ARG A 45 -0.366 7.470 -9.271 1.00 0.00 C ATOM 717 CG ARG A 45 0.494 7.596 -10.532 1.00 0.00 C ATOM 718 CD ARG A 45 0.789 6.174 -11.031 1.00 0.00 C ATOM 719 NE ARG A 45 1.754 6.165 -12.136 1.00 0.00 N ATOM 720 CZ ARG A 45 2.325 5.055 -12.635 1.00 0.00 C ATOM 721 NH1 ARG A 45 1.999 3.838 -12.176 1.00 0.00 N ATOM 722 NH2 ARG A 45 3.239 5.162 -13.608 1.00 0.00 N ATOM 0 H ARG A 45 -1.513 9.621 -10.336 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.224 8.496 -7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.166 6.845 -8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.284 6.943 -9.533 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.028 8.170 -11.297 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.421 8.126 -10.313 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.176 5.575 -10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.139 5.705 -11.357 1.00 0.00 H new ATOM 0 HE ARG A 45 2.009 7.060 -12.553 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.306 3.742 -11.434 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.444 3.009 -12.569 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.498 6.081 -13.966 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.676 4.324 -13.991 1.00 0.00 H new ATOM 736 N ILE A 46 1.266 9.108 -7.269 1.00 0.00 N ATOM 737 CA ILE A 46 2.327 9.796 -6.588 1.00 0.00 C ATOM 738 C ILE A 46 3.602 9.701 -7.425 1.00 0.00 C ATOM 739 O ILE A 46 3.725 8.836 -8.293 1.00 0.00 O ATOM 740 CB ILE A 46 2.497 9.117 -5.217 1.00 0.00 C ATOM 741 CG1 ILE A 46 1.181 8.747 -4.502 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.325 10.016 -4.309 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.416 9.944 -3.965 1.00 0.00 C ATOM 0 H ILE A 46 1.172 8.139 -6.964 1.00 0.00 H new ATOM 0 HA ILE A 46 2.105 10.854 -6.447 1.00 0.00 H new ATOM 0 HB ILE A 46 2.999 8.171 -5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.542 8.202 -5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.405 8.071 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.447 9.538 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.305 10.183 -4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.817 10.972 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.497 9.603 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.035 10.478 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.159 10.611 -4.788 1.00 0.00 H new ATOM 755 N GLU A 47 4.551 10.596 -7.147 1.00 0.00 N ATOM 756 CA GLU A 47 5.838 10.649 -7.820 1.00 0.00 C ATOM 757 C GLU A 47 6.735 9.490 -7.368 1.00 0.00 C ATOM 758 O GLU A 47 6.857 8.500 -8.090 1.00 0.00 O ATOM 759 CB GLU A 47 6.498 12.019 -7.601 1.00 0.00 C ATOM 760 CG GLU A 47 5.732 13.135 -8.323 1.00 0.00 C ATOM 761 CD GLU A 47 6.459 14.472 -8.206 1.00 0.00 C ATOM 762 OE1 GLU A 47 7.603 14.542 -8.704 1.00 0.00 O ATOM 763 OE2 GLU A 47 5.857 15.402 -7.626 1.00 0.00 O ATOM 0 H GLU A 47 4.439 11.316 -6.433 1.00 0.00 H new ATOM 0 HA GLU A 47 5.684 10.530 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.540 12.237 -6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.526 11.990 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.612 12.875 -9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.731 13.225 -7.900 1.00 0.00 H new ATOM 770 N LYS A 48 7.384 9.610 -6.201 1.00 0.00 N ATOM 771 CA LYS A 48 8.410 8.665 -5.772 1.00 0.00 C ATOM 772 C LYS A 48 7.791 7.481 -5.030 1.00 0.00 C ATOM 773 O LYS A 48 8.023 7.306 -3.835 1.00 0.00 O ATOM 774 CB LYS A 48 9.473 9.365 -4.914 1.00 0.00 C ATOM 775 CG LYS A 48 10.270 10.408 -5.709 1.00 0.00 C ATOM 776 CD LYS A 48 11.374 11.061 -4.861 1.00 0.00 C ATOM 777 CE LYS A 48 12.724 10.324 -4.882 1.00 0.00 C ATOM 778 NZ LYS A 48 12.663 8.982 -4.273 1.00 0.00 N ATOM 0 H LYS A 48 7.210 10.363 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 48 8.903 8.275 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.990 9.850 -4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.157 8.620 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.717 9.933 -6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.592 11.178 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.527 12.081 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.029 11.128 -3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.065 10.233 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.466 10.923 -4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.623 8.670 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.076 9.016 -3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.247 8.312 -4.951 1.00 0.00 H new ATOM 792 N VAL A 49 7.061 6.631 -5.760 1.00 0.00 N ATOM 793 CA VAL A 49 6.613 5.345 -5.245 1.00 0.00 C ATOM 794 C VAL A 49 7.817 4.405 -5.257 1.00 0.00 C ATOM 795 O VAL A 49 8.131 3.817 -6.290 1.00 0.00 O ATOM 796 CB VAL A 49 5.442 4.787 -6.073 1.00 0.00 C ATOM 797 CG1 VAL A 49 4.972 3.453 -5.472 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.266 5.769 -6.092 1.00 0.00 C ATOM 0 H VAL A 49 6.768 6.819 -6.719 1.00 0.00 H new ATOM 0 HA VAL A 49 6.234 5.452 -4.228 1.00 0.00 H new ATOM 0 HB VAL A 49 5.790 4.636 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.143 3.061 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.795 2.739 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.644 3.612 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.452 5.350 -6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.921 5.944 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.587 6.713 -6.533 1.00 0.00 H new ATOM 808 N GLU A 50 8.494 4.281 -4.111 1.00 0.00 N ATOM 809 CA GLU A 50 9.646 3.416 -3.941 1.00 0.00 C ATOM 810 C GLU A 50 9.174 2.200 -3.153 1.00 0.00 C ATOM 811 O GLU A 50 8.256 2.314 -2.342 1.00 0.00 O ATOM 812 CB GLU A 50 10.744 4.195 -3.212 1.00 0.00 C ATOM 813 CG GLU A 50 12.130 3.583 -3.398 1.00 0.00 C ATOM 814 CD GLU A 50 13.171 4.412 -2.653 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.474 5.521 -3.146 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.627 3.932 -1.592 1.00 0.00 O ATOM 0 H GLU A 50 8.245 4.793 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 50 10.065 3.083 -4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.755 5.223 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.509 4.234 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.137 2.558 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.378 3.540 -4.458 1.00 0.00 H new ATOM 823 N HIS A 51 9.771 1.031 -3.392 1.00 0.00 N ATOM 824 CA HIS A 51 9.374 -0.169 -2.679 1.00 0.00 C ATOM 825 C HIS A 51 10.532 -1.146 -2.541 1.00 0.00 C ATOM 826 O HIS A 51 11.452 -1.158 -3.358 1.00 0.00 O ATOM 827 CB HIS A 51 8.146 -0.814 -3.338 1.00 0.00 C ATOM 828 CG HIS A 51 8.371 -1.295 -4.748 1.00 0.00 C ATOM 829 ND1 HIS A 51 8.529 -2.649 -5.039 1.00 0.00 N ATOM 830 CD2 HIS A 51 8.400 -0.582 -5.918 1.00 0.00 C ATOM 831 CE1 HIS A 51 8.652 -2.701 -6.367 1.00 0.00 C ATOM 832 NE2 HIS A 51 8.583 -1.489 -6.942 1.00 0.00 N ATOM 0 H HIS A 51 10.523 0.897 -4.068 1.00 0.00 H new ATOM 0 HA HIS A 51 9.087 0.118 -1.667 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.823 -1.657 -2.728 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.330 -0.092 -3.340 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.299 0.488 -6.020 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.792 -3.618 -6.920 1.00 0.00 H new ATOM 0 HE2 HIS A 51 8.652 -1.280 -7.938 1.00 0.00 H new ATOM 840 N SER A 52 10.467 -1.961 -1.483 1.00 0.00 N ATOM 841 CA SER A 52 11.414 -3.033 -1.229 1.00 0.00 C ATOM 842 C SER A 52 11.274 -4.113 -2.303 1.00 0.00 C ATOM 843 O SER A 52 10.212 -4.265 -2.906 1.00 0.00 O ATOM 844 CB SER A 52 11.160 -3.616 0.167 1.00 0.00 C ATOM 845 OG SER A 52 12.111 -4.611 0.489 1.00 0.00 O ATOM 0 H SER A 52 9.740 -1.887 -0.772 1.00 0.00 H new ATOM 0 HA SER A 52 12.431 -2.643 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.199 -2.819 0.909 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.157 -4.041 0.209 1.00 0.00 H new ATOM 0 HG SER A 52 11.925 -4.963 1.384 1.00 0.00 H new ATOM 851 N ASP A 53 12.346 -4.887 -2.508 1.00 0.00 N ATOM 852 CA ASP A 53 12.319 -6.078 -3.342 1.00 0.00 C ATOM 853 C ASP A 53 11.262 -7.050 -2.810 1.00 0.00 C ATOM 854 O ASP A 53 10.968 -7.055 -1.612 1.00 0.00 O ATOM 855 CB ASP A 53 13.713 -6.720 -3.340 1.00 0.00 C ATOM 856 CG ASP A 53 13.774 -8.000 -4.171 1.00 0.00 C ATOM 857 OD1 ASP A 53 13.210 -7.986 -5.287 1.00 0.00 O ATOM 858 OD2 ASP A 53 14.389 -8.969 -3.676 1.00 0.00 O ATOM 0 H ASP A 53 13.259 -4.697 -2.094 1.00 0.00 H new ATOM 0 HA ASP A 53 12.056 -5.818 -4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.438 -6.005 -3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.004 -6.944 -2.314 1.00 0.00 H new ATOM 863 N LEU A 54 10.681 -7.860 -3.701 1.00 0.00 N ATOM 864 CA LEU A 54 9.692 -8.851 -3.314 1.00 0.00 C ATOM 865 C LEU A 54 10.355 -9.939 -2.471 1.00 0.00 C ATOM 866 O LEU A 54 11.150 -10.728 -2.978 1.00 0.00 O ATOM 867 CB LEU A 54 8.983 -9.420 -4.534 1.00 0.00 C ATOM 868 CG LEU A 54 7.921 -10.433 -4.087 1.00 0.00 C ATOM 869 CD1 LEU A 54 6.869 -9.875 -3.116 1.00 0.00 C ATOM 870 CD2 LEU A 54 7.194 -10.899 -5.329 1.00 0.00 C ATOM 0 H LEU A 54 10.886 -7.842 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 54 8.925 -8.374 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.516 -8.616 -5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.704 -9.902 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 54 8.446 -11.226 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.161 -10.662 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.362 -9.517 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.337 -9.050 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.428 -11.623 -5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.726 -10.045 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.904 -11.365 -6.013 1.00 0.00 H new ATOM 882 N SER A 55 10.023 -9.957 -1.177 1.00 0.00 N ATOM 883 CA SER A 55 10.732 -10.674 -0.146 1.00 0.00 C ATOM 884 C SER A 55 9.743 -11.361 0.789 1.00 0.00 C ATOM 885 O SER A 55 9.234 -10.734 1.714 1.00 0.00 O ATOM 886 CB SER A 55 11.548 -9.644 0.633 1.00 0.00 C ATOM 887 OG SER A 55 12.618 -9.168 -0.157 1.00 0.00 O ATOM 0 H SER A 55 9.216 -9.446 -0.818 1.00 0.00 H new ATOM 0 HA SER A 55 11.376 -11.439 -0.580 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.909 -8.813 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.934 -10.093 1.548 1.00 0.00 H new ATOM 0 HG SER A 55 12.300 -8.445 -0.737 1.00 0.00 H new ATOM 893 N PHE A 56 9.531 -12.667 0.602 1.00 0.00 N ATOM 894 CA PHE A 56 8.983 -13.492 1.669 1.00 0.00 C ATOM 895 C PHE A 56 10.039 -13.676 2.763 1.00 0.00 C ATOM 896 O PHE A 56 11.218 -13.396 2.547 1.00 0.00 O ATOM 897 CB PHE A 56 8.469 -14.834 1.128 1.00 0.00 C ATOM 898 CG PHE A 56 9.466 -15.966 0.981 1.00 0.00 C ATOM 899 CD1 PHE A 56 10.612 -15.817 0.178 1.00 0.00 C ATOM 900 CD2 PHE A 56 9.219 -17.194 1.626 1.00 0.00 C ATOM 901 CE1 PHE A 56 11.563 -16.851 0.113 1.00 0.00 C ATOM 902 CE2 PHE A 56 10.129 -18.257 1.489 1.00 0.00 C ATOM 903 CZ PHE A 56 11.308 -18.080 0.746 1.00 0.00 C ATOM 0 H PHE A 56 9.729 -13.165 -0.266 1.00 0.00 H new ATOM 0 HA PHE A 56 8.121 -12.988 2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.669 -15.176 1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.023 -14.652 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.761 -14.909 -0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.330 -17.319 2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.489 -16.701 -0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.922 -19.209 1.955 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.019 -18.889 0.661 1.00 0.00 H new ATOM 913 N SER A 57 9.616 -14.181 3.926 1.00 0.00 N ATOM 914 CA SER A 57 10.529 -14.678 4.944 1.00 0.00 C ATOM 915 C SER A 57 10.983 -16.067 4.479 1.00 0.00 C ATOM 916 O SER A 57 11.528 -16.207 3.387 1.00 0.00 O ATOM 917 CB SER A 57 9.793 -14.676 6.293 1.00 0.00 C ATOM 918 OG SER A 57 10.597 -15.209 7.327 1.00 0.00 O ATOM 0 H SER A 57 8.631 -14.254 4.182 1.00 0.00 H new ATOM 0 HA SER A 57 11.417 -14.061 5.081 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.501 -13.657 6.547 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.876 -15.258 6.208 1.00 0.00 H new ATOM 0 HG SER A 57 10.105 -15.917 7.792 1.00 0.00 H new ATOM 924 N LYS A 58 10.732 -17.099 5.287 1.00 0.00 N ATOM 925 CA LYS A 58 10.832 -18.500 4.907 1.00 0.00 C ATOM 926 C LYS A 58 9.459 -19.164 4.904 1.00 0.00 C ATOM 927 O LYS A 58 9.305 -20.264 4.375 1.00 0.00 O ATOM 928 CB LYS A 58 11.777 -19.199 5.884 1.00 0.00 C ATOM 929 CG LYS A 58 13.208 -18.709 5.630 1.00 0.00 C ATOM 930 CD LYS A 58 14.170 -19.357 6.633 1.00 0.00 C ATOM 931 CE LYS A 58 15.609 -18.865 6.440 1.00 0.00 C ATOM 932 NZ LYS A 58 16.132 -19.189 5.101 1.00 0.00 N ATOM 0 H LYS A 58 10.444 -16.972 6.257 1.00 0.00 H new ATOM 0 HA LYS A 58 11.227 -18.579 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.482 -18.985 6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.720 -20.280 5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.510 -18.956 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.251 -17.624 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.842 -19.133 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.138 -20.441 6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.646 -17.786 6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.250 -19.316 7.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 17.150 -18.977 5.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.982 -20.199 4.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.634 -18.620 4.387 1.00 0.00 H new ATOM 946 N ASP A 59 8.474 -18.519 5.538 1.00 0.00 N ATOM 947 CA ASP A 59 7.337 -19.212 6.113 1.00 0.00 C ATOM 948 C ASP A 59 6.155 -19.247 5.140 1.00 0.00 C ATOM 949 O ASP A 59 5.016 -19.010 5.539 1.00 0.00 O ATOM 950 CB ASP A 59 6.987 -18.538 7.449 1.00 0.00 C ATOM 951 CG ASP A 59 8.225 -18.295 8.313 1.00 0.00 C ATOM 952 OD1 ASP A 59 8.868 -17.243 8.096 1.00 0.00 O ATOM 953 OD2 ASP A 59 8.520 -19.170 9.155 1.00 0.00 O ATOM 0 H ASP A 59 8.451 -17.507 5.662 1.00 0.00 H new ATOM 0 HA ASP A 59 7.589 -20.255 6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.488 -17.588 7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.281 -19.163 7.996 1.00 0.00 H new ATOM 958 N TRP A 60 6.440 -19.556 3.868 1.00 0.00 N ATOM 959 CA TRP A 60 5.472 -19.712 2.787 1.00 0.00 C ATOM 960 C TRP A 60 4.503 -18.526 2.729 1.00 0.00 C ATOM 961 O TRP A 60 3.314 -18.658 3.018 1.00 0.00 O ATOM 962 CB TRP A 60 4.773 -21.070 2.900 1.00 0.00 C ATOM 963 CG TRP A 60 5.708 -22.232 3.046 1.00 0.00 C ATOM 964 CD1 TRP A 60 6.201 -22.675 4.222 1.00 0.00 C ATOM 965 CD2 TRP A 60 6.330 -23.063 2.019 1.00 0.00 C ATOM 966 NE1 TRP A 60 7.073 -23.721 4.009 1.00 0.00 N ATOM 967 CE2 TRP A 60 7.190 -24.002 2.664 1.00 0.00 C ATOM 968 CE3 TRP A 60 6.263 -23.120 0.609 1.00 0.00 C ATOM 969 CZ2 TRP A 60 7.939 -24.949 1.949 1.00 0.00 C ATOM 970 CZ3 TRP A 60 7.010 -24.068 -0.117 1.00 0.00 C ATOM 971 CH2 TRP A 60 7.843 -24.984 0.549 1.00 0.00 C ATOM 0 H TRP A 60 7.399 -19.710 3.555 1.00 0.00 H new ATOM 0 HA TRP A 60 5.996 -19.705 1.831 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.100 -21.049 3.757 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.156 -21.223 2.014 1.00 0.00 H new ATOM 0 HD1 TRP A 60 5.949 -22.268 5.190 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.566 -24.221 4.748 1.00 0.00 H new ATOM 0 HE3 TRP A 60 5.628 -22.425 0.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 8.582 -25.643 2.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.942 -24.091 -1.195 1.00 0.00 H new ATOM 0 HH2 TRP A 60 8.407 -25.712 -0.015 1.00 0.00 H new ATOM 982 N SER A 61 5.048 -17.359 2.373 1.00 0.00 N ATOM 983 CA SER A 61 4.354 -16.081 2.355 1.00 0.00 C ATOM 984 C SER A 61 4.995 -15.210 1.270 1.00 0.00 C ATOM 985 O SER A 61 5.678 -15.733 0.393 1.00 0.00 O ATOM 986 CB SER A 61 4.460 -15.453 3.752 1.00 0.00 C ATOM 987 OG SER A 61 3.625 -14.320 3.863 1.00 0.00 O ATOM 0 H SER A 61 6.022 -17.283 2.079 1.00 0.00 H new ATOM 0 HA SER A 61 3.295 -16.190 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.183 -16.189 4.507 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.493 -15.168 3.949 1.00 0.00 H new ATOM 0 HG SER A 61 2.691 -14.589 3.739 1.00 0.00 H new ATOM 993 N PHE A 62 4.798 -13.891 1.358 1.00 0.00 N ATOM 994 CA PHE A 62 5.438 -12.859 0.560 1.00 0.00 C ATOM 995 C PHE A 62 5.147 -11.513 1.193 1.00 0.00 C ATOM 996 O PHE A 62 4.115 -11.346 1.845 1.00 0.00 O ATOM 997 CB PHE A 62 4.947 -12.825 -0.893 1.00 0.00 C ATOM 998 CG PHE A 62 5.832 -13.590 -1.833 1.00 0.00 C ATOM 999 CD1 PHE A 62 7.162 -13.170 -2.003 1.00 0.00 C ATOM 1000 CD2 PHE A 62 5.414 -14.827 -2.342 1.00 0.00 C ATOM 1001 CE1 PHE A 62 8.089 -14.017 -2.620 1.00 0.00 C ATOM 1002 CE2 PHE A 62 6.349 -15.694 -2.920 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.684 -15.284 -3.077 1.00 0.00 C ATOM 0 H PHE A 62 4.144 -13.498 2.034 1.00 0.00 H new ATOM 0 HA PHE A 62 6.505 -13.083 0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.938 -13.235 -0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.885 -11.789 -1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.469 -12.194 -1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.373 -15.111 -2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.113 -13.699 -2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.044 -16.678 -3.245 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.399 -15.942 -3.549 1.00 0.00 H new ATOM 1013 N TYR A 63 6.043 -10.550 0.953 1.00 0.00 N ATOM 1014 CA TYR A 63 5.794 -9.170 1.339 1.00 0.00 C ATOM 1015 C TYR A 63 6.847 -8.246 0.748 1.00 0.00 C ATOM 1016 O TYR A 63 7.839 -8.681 0.170 1.00 0.00 O ATOM 1017 CB TYR A 63 5.820 -8.994 2.855 1.00 0.00 C ATOM 1018 CG TYR A 63 7.007 -9.566 3.559 1.00 0.00 C ATOM 1019 CD1 TYR A 63 8.105 -8.730 3.801 1.00 0.00 C ATOM 1020 CD2 TYR A 63 6.935 -10.840 4.140 1.00 0.00 C ATOM 1021 CE1 TYR A 63 9.173 -9.189 4.578 1.00 0.00 C ATOM 1022 CE2 TYR A 63 7.991 -11.292 4.937 1.00 0.00 C ATOM 1023 CZ TYR A 63 9.128 -10.484 5.134 1.00 0.00 C ATOM 1024 OH TYR A 63 10.172 -10.956 5.876 1.00 0.00 O ATOM 0 H TYR A 63 6.941 -10.706 0.495 1.00 0.00 H new ATOM 0 HA TYR A 63 4.805 -8.916 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.768 -7.928 3.078 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.921 -9.451 3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 63 8.126 -7.732 3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.071 -11.467 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 63 10.029 -8.554 4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.935 -12.264 5.403 1.00 0.00 H new ATOM 0 HH TYR A 63 10.618 -10.208 6.325 1.00 0.00 H new ATOM 1034 N LEU A 64 6.599 -6.952 0.942 1.00 0.00 N ATOM 1035 CA LEU A 64 7.421 -5.836 0.510 1.00 0.00 C ATOM 1036 C LEU A 64 6.759 -4.579 1.072 1.00 0.00 C ATOM 1037 O LEU A 64 5.556 -4.587 1.325 1.00 0.00 O ATOM 1038 CB LEU A 64 7.616 -5.796 -1.024 1.00 0.00 C ATOM 1039 CG LEU A 64 6.353 -5.591 -1.882 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.662 -5.648 -3.385 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.276 -6.648 -1.643 1.00 0.00 C ATOM 0 H LEU A 64 5.763 -6.641 1.438 1.00 0.00 H new ATOM 0 HA LEU A 64 8.438 -5.929 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.317 -4.995 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.087 -6.730 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 64 5.992 -4.608 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.743 -5.499 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.376 -4.865 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.087 -6.621 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.416 -6.442 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.675 -7.634 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.968 -6.623 -0.598 1.00 0.00 H new ATOM 1053 N LEU A 65 7.541 -3.527 1.327 1.00 0.00 N ATOM 1054 CA LEU A 65 7.069 -2.275 1.888 1.00 0.00 C ATOM 1055 C LEU A 65 7.134 -1.225 0.784 1.00 0.00 C ATOM 1056 O LEU A 65 8.141 -1.155 0.085 1.00 0.00 O ATOM 1057 CB LEU A 65 7.970 -1.928 3.073 1.00 0.00 C ATOM 1058 CG LEU A 65 7.267 -1.105 4.156 1.00 0.00 C ATOM 1059 CD1 LEU A 65 8.324 -0.735 5.191 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.599 0.158 3.608 1.00 0.00 C ATOM 0 H LEU A 65 8.544 -3.530 1.142 1.00 0.00 H new ATOM 0 HA LEU A 65 6.042 -2.331 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.346 -2.851 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.835 -1.373 2.711 1.00 0.00 H new ATOM 0 HG LEU A 65 6.464 -1.700 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.865 -0.145 5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.752 -1.643 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.111 -0.151 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.118 0.698 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.352 0.796 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.851 -0.119 2.865 1.00 0.00 H new ATOM 1072 N TYR A 66 6.054 -0.454 0.606 1.00 0.00 N ATOM 1073 CA TYR A 66 5.811 0.372 -0.561 1.00 0.00 C ATOM 1074 C TYR A 66 5.533 1.804 -0.094 1.00 0.00 C ATOM 1075 O TYR A 66 4.399 2.140 0.250 1.00 0.00 O ATOM 1076 CB TYR A 66 4.624 -0.201 -1.361 1.00 0.00 C ATOM 1077 CG TYR A 66 4.521 -1.715 -1.516 1.00 0.00 C ATOM 1078 CD1 TYR A 66 4.107 -2.492 -0.414 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.463 -2.284 -2.803 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.517 -3.745 -0.606 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.839 -3.530 -2.997 1.00 0.00 C ATOM 1082 CZ TYR A 66 3.286 -4.213 -1.903 1.00 0.00 C ATOM 1083 OH TYR A 66 2.532 -5.331 -2.088 1.00 0.00 O ATOM 0 H TYR A 66 5.307 -0.393 1.298 1.00 0.00 H new ATOM 0 HA TYR A 66 6.681 0.379 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.705 0.148 -0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.655 0.234 -2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.247 -2.115 0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.898 -1.763 -3.643 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.241 -4.350 0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.786 -3.960 -3.986 1.00 0.00 H new ATOM 0 HH TYR A 66 2.464 -5.525 -3.046 1.00 0.00 H new ATOM 1093 N TYR A 67 6.586 2.626 -0.038 1.00 0.00 N ATOM 1094 CA TYR A 67 6.558 3.938 0.592 1.00 0.00 C ATOM 1095 C TYR A 67 6.723 5.065 -0.415 1.00 0.00 C ATOM 1096 O TYR A 67 7.319 4.904 -1.479 1.00 0.00 O ATOM 1097 CB TYR A 67 7.611 4.056 1.703 1.00 0.00 C ATOM 1098 CG TYR A 67 8.862 3.220 1.531 1.00 0.00 C ATOM 1099 CD1 TYR A 67 9.581 3.281 0.329 1.00 0.00 C ATOM 1100 CD2 TYR A 67 9.187 2.247 2.487 1.00 0.00 C ATOM 1101 CE1 TYR A 67 10.539 2.300 0.028 1.00 0.00 C ATOM 1102 CE2 TYR A 67 10.146 1.264 2.189 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.802 1.271 0.946 1.00 0.00 C ATOM 1104 OH TYR A 67 11.686 0.280 0.637 1.00 0.00 O ATOM 0 H TYR A 67 7.494 2.389 -0.438 1.00 0.00 H new ATOM 0 HA TYR A 67 5.571 4.039 1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.907 5.102 1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.143 3.782 2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.397 4.085 -0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.701 2.253 3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.074 2.337 -0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.380 0.501 2.917 1.00 0.00 H new ATOM 0 HH TYR A 67 11.748 -0.348 1.387 1.00 0.00 H new ATOM 1114 N THR A 68 6.165 6.215 -0.046 1.00 0.00 N ATOM 1115 CA THR A 68 6.118 7.368 -0.930 1.00 0.00 C ATOM 1116 C THR A 68 6.003 8.661 -0.130 1.00 0.00 C ATOM 1117 O THR A 68 5.437 8.656 0.961 1.00 0.00 O ATOM 1118 CB THR A 68 4.968 7.200 -1.928 1.00 0.00 C ATOM 1119 OG1 THR A 68 5.202 8.024 -3.046 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.599 7.522 -1.336 1.00 0.00 C ATOM 0 H THR A 68 5.737 6.370 0.867 1.00 0.00 H new ATOM 0 HA THR A 68 7.048 7.432 -1.494 1.00 0.00 H new ATOM 0 HB THR A 68 4.945 6.148 -2.213 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.674 7.702 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.831 7.382 -2.097 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.401 6.858 -0.495 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.585 8.556 -0.993 1.00 0.00 H new ATOM 1128 N GLU A 69 6.499 9.769 -0.686 1.00 0.00 N ATOM 1129 CA GLU A 69 6.487 11.078 -0.051 1.00 0.00 C ATOM 1130 C GLU A 69 5.221 11.850 -0.443 1.00 0.00 C ATOM 1131 O GLU A 69 5.263 12.771 -1.257 1.00 0.00 O ATOM 1132 CB GLU A 69 7.797 11.834 -0.357 1.00 0.00 C ATOM 1133 CG GLU A 69 8.463 11.529 -1.711 1.00 0.00 C ATOM 1134 CD GLU A 69 7.569 11.822 -2.916 1.00 0.00 C ATOM 1135 OE1 GLU A 69 6.801 10.909 -3.294 1.00 0.00 O ATOM 1136 OE2 GLU A 69 7.691 12.942 -3.455 1.00 0.00 O ATOM 0 H GLU A 69 6.929 9.775 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 69 6.448 10.964 1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.593 12.904 -0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.513 11.611 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.377 12.117 -1.797 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.756 10.479 -1.734 1.00 0.00 H new ATOM 1143 N PHE A 70 4.084 11.487 0.165 1.00 0.00 N ATOM 1144 CA PHE A 70 2.817 12.172 -0.057 1.00 0.00 C ATOM 1145 C PHE A 70 2.793 13.496 0.708 1.00 0.00 C ATOM 1146 O PHE A 70 3.430 13.616 1.751 1.00 0.00 O ATOM 1147 CB PHE A 70 1.632 11.288 0.360 1.00 0.00 C ATOM 1148 CG PHE A 70 1.166 11.458 1.795 1.00 0.00 C ATOM 1149 CD1 PHE A 70 1.995 11.029 2.843 1.00 0.00 C ATOM 1150 CD2 PHE A 70 -0.021 12.153 2.098 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.603 11.193 4.178 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.287 12.508 3.425 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.516 12.022 4.471 1.00 0.00 C ATOM 0 H PHE A 70 4.023 10.710 0.823 1.00 0.00 H new ATOM 0 HA PHE A 70 2.722 12.379 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.793 11.497 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.907 10.245 0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.945 10.568 2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.719 12.409 1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.133 10.686 4.970 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.117 13.162 3.648 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.295 12.287 5.494 1.00 0.00 H new ATOM 1163 N THR A 71 2.031 14.469 0.203 1.00 0.00 N ATOM 1164 CA THR A 71 1.845 15.766 0.844 1.00 0.00 C ATOM 1165 C THR A 71 0.385 15.917 1.290 1.00 0.00 C ATOM 1166 O THR A 71 -0.483 16.102 0.438 1.00 0.00 O ATOM 1167 CB THR A 71 2.249 16.891 -0.121 1.00 0.00 C ATOM 1168 OG1 THR A 71 3.610 16.756 -0.475 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.051 18.267 0.530 1.00 0.00 C ATOM 0 H THR A 71 1.520 14.373 -0.675 1.00 0.00 H new ATOM 0 HA THR A 71 2.482 15.832 1.726 1.00 0.00 H new ATOM 0 HB THR A 71 1.618 16.815 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.861 17.475 -1.092 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.344 19.047 -0.172 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.002 18.395 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.666 18.337 1.427 1.00 0.00 H new ATOM 1177 N PRO A 72 0.096 15.887 2.601 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.202 16.257 3.131 1.00 0.00 C ATOM 1179 C PRO A 72 -1.345 17.772 3.028 1.00 0.00 C ATOM 1180 O PRO A 72 -0.724 18.490 3.802 1.00 0.00 O ATOM 1181 CB PRO A 72 -1.215 15.812 4.599 1.00 0.00 C ATOM 1182 CG PRO A 72 0.261 15.667 4.978 1.00 0.00 C ATOM 1183 CD PRO A 72 1.035 15.592 3.663 1.00 0.00 C ATOM 0 HA PRO A 72 -2.025 15.792 2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.715 16.547 5.230 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.749 14.870 4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.594 16.514 5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.423 14.770 5.576 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.858 16.306 3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.471 14.602 3.528 1.00 0.00 H new ATOM 1191 N THR A 73 -2.162 18.253 2.086 1.00 0.00 N ATOM 1192 CA THR A 73 -2.626 19.633 2.049 1.00 0.00 C ATOM 1193 C THR A 73 -3.904 19.758 2.888 1.00 0.00 C ATOM 1194 O THR A 73 -4.115 19.000 3.835 1.00 0.00 O ATOM 1195 CB THR A 73 -2.718 20.129 0.596 1.00 0.00 C ATOM 1196 OG1 THR A 73 -2.938 21.526 0.555 1.00 0.00 O ATOM 1197 CG2 THR A 73 -3.787 19.415 -0.223 1.00 0.00 C ATOM 0 H THR A 73 -2.521 17.683 1.320 1.00 0.00 H new ATOM 0 HA THR A 73 -1.910 20.311 2.513 1.00 0.00 H new ATOM 0 HB THR A 73 -1.757 19.892 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.992 21.821 -0.378 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.796 19.815 -1.237 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.568 18.348 -0.256 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.763 19.571 0.237 1.00 0.00 H new ATOM 1205 N GLU A 74 -4.743 20.736 2.551 1.00 0.00 N ATOM 1206 CA GLU A 74 -6.013 20.991 3.209 1.00 0.00 C ATOM 1207 C GLU A 74 -7.010 19.852 2.959 1.00 0.00 C ATOM 1208 O GLU A 74 -7.324 19.103 3.883 1.00 0.00 O ATOM 1209 CB GLU A 74 -6.541 22.360 2.754 1.00 0.00 C ATOM 1210 CG GLU A 74 -7.832 22.771 3.472 1.00 0.00 C ATOM 1211 CD GLU A 74 -8.403 24.045 2.859 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -9.096 23.913 1.827 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -8.126 25.125 3.424 1.00 0.00 O ATOM 0 H GLU A 74 -4.548 21.388 1.791 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.872 21.023 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.776 23.116 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.721 22.335 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.565 21.967 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.631 22.929 4.532 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.537 19.751 1.731 1.00 0.00 N ATOM 1221 CA LYS A 75 -8.689 18.914 1.400 1.00 0.00 C ATOM 1222 C LYS A 75 -8.320 17.802 0.415 1.00 0.00 C ATOM 1223 O LYS A 75 -8.999 17.615 -0.596 1.00 0.00 O ATOM 1224 CB LYS A 75 -9.826 19.799 0.863 1.00 0.00 C ATOM 1225 CG LYS A 75 -9.340 20.740 -0.251 1.00 0.00 C ATOM 1226 CD LYS A 75 -10.490 21.255 -1.127 1.00 0.00 C ATOM 1227 CE LYS A 75 -10.570 20.504 -2.463 1.00 0.00 C ATOM 1228 NZ LYS A 75 -10.916 19.083 -2.287 1.00 0.00 N ATOM 0 H LYS A 75 -7.165 20.259 0.929 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.032 18.415 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.628 19.168 0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.245 20.388 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.819 21.587 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.618 20.215 -0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.433 21.144 -0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.354 22.320 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.315 20.980 -3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.613 20.581 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.941 18.614 -3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.202 18.624 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.849 19.006 -1.835 1.00 0.00 H new ATOM 1242 N ASP A 76 -7.262 17.049 0.726 1.00 0.00 N ATOM 1243 CA ASP A 76 -6.853 15.883 -0.051 1.00 0.00 C ATOM 1244 C ASP A 76 -7.397 14.583 0.542 1.00 0.00 C ATOM 1245 O ASP A 76 -7.892 14.556 1.669 1.00 0.00 O ATOM 1246 CB ASP A 76 -5.330 15.817 -0.123 1.00 0.00 C ATOM 1247 CG ASP A 76 -4.707 15.697 1.265 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -4.564 16.760 1.904 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -4.405 14.555 1.672 1.00 0.00 O ATOM 0 H ASP A 76 -6.663 17.235 1.530 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.268 15.992 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.031 14.964 -0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.949 16.711 -0.617 1.00 0.00 H new ATOM 1254 N GLU A 77 -7.269 13.499 -0.234 1.00 0.00 N ATOM 1255 CA GLU A 77 -7.586 12.143 0.177 1.00 0.00 C ATOM 1256 C GLU A 77 -6.675 11.194 -0.607 1.00 0.00 C ATOM 1257 O GLU A 77 -6.737 11.180 -1.835 1.00 0.00 O ATOM 1258 CB GLU A 77 -9.070 11.879 -0.105 1.00 0.00 C ATOM 1259 CG GLU A 77 -9.537 10.564 0.521 1.00 0.00 C ATOM 1260 CD GLU A 77 -11.019 10.334 0.242 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -11.330 9.984 -0.918 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -11.813 10.495 1.193 1.00 0.00 O ATOM 0 H GLU A 77 -6.930 13.553 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.418 11.988 1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.667 12.702 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.237 11.849 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.953 9.736 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.363 10.585 1.597 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.820 10.434 0.095 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.878 9.480 -0.487 1.00 0.00 C ATOM 1271 C TYR A 78 -5.302 8.051 -0.133 1.00 0.00 C ATOM 1272 O TYR A 78 -5.919 7.818 0.907 1.00 0.00 O ATOM 1273 CB TYR A 78 -3.434 9.771 -0.043 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.774 11.004 -0.642 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -3.268 12.289 -0.353 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -1.604 10.879 -1.415 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -2.618 13.431 -0.852 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.996 12.028 -1.959 1.00 0.00 C ATOM 1279 CZ TYR A 78 -1.484 13.303 -1.660 1.00 0.00 C ATOM 1280 OH TYR A 78 -0.863 14.408 -2.166 1.00 0.00 O ATOM 0 H TYR A 78 -5.768 10.471 1.113 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.898 9.587 -1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.425 9.873 1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.821 8.903 -0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.153 12.399 0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.173 9.904 -1.591 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.997 14.413 -0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.144 11.922 -2.614 1.00 0.00 H new ATOM 0 HH TYR A 78 -0.680 15.041 -1.441 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.980 7.097 -1.016 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.325 5.689 -0.871 1.00 0.00 C ATOM 1292 C ALA A 79 -4.296 4.806 -1.580 1.00 0.00 C ATOM 1293 O ALA A 79 -3.454 5.303 -2.326 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.727 5.444 -1.439 1.00 0.00 C ATOM 0 H ALA A 79 -4.459 7.295 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.319 5.429 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.985 4.390 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.451 6.052 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.744 5.715 -2.495 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.382 3.494 -1.331 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.505 2.466 -1.874 1.00 0.00 C ATOM 1302 C CYS A 80 -4.333 1.513 -2.737 1.00 0.00 C ATOM 1303 O CYS A 80 -5.188 0.807 -2.209 1.00 0.00 O ATOM 1304 CB CYS A 80 -2.866 1.682 -0.718 1.00 0.00 C ATOM 1305 SG CYS A 80 -1.978 2.664 0.514 1.00 0.00 S ATOM 0 H CYS A 80 -5.100 3.109 -0.717 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.722 2.926 -2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.650 1.121 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.174 0.953 -1.139 1.00 0.00 H new ATOM 1310 N ARG A 81 -4.054 1.447 -4.045 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.517 0.344 -4.879 1.00 0.00 C ATOM 1312 C ARG A 81 -3.796 -0.914 -4.394 1.00 0.00 C ATOM 1313 O ARG A 81 -2.585 -0.860 -4.204 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.188 0.637 -6.354 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.453 -0.560 -7.283 1.00 0.00 C ATOM 1316 CD ARG A 81 -3.761 -0.384 -8.641 1.00 0.00 C ATOM 1317 NE ARG A 81 -3.896 -1.607 -9.446 1.00 0.00 N ATOM 1318 CZ ARG A 81 -2.943 -2.221 -10.171 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -1.718 -1.697 -10.332 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -3.230 -3.397 -10.745 1.00 0.00 N ATOM 0 H ARG A 81 -3.508 2.149 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.596 0.211 -4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.781 1.488 -6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.140 0.927 -6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.098 -1.475 -6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.527 -0.674 -7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.200 0.460 -9.173 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.706 -0.153 -8.492 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.819 -2.040 -9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.484 -0.804 -9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.021 -2.191 -10.889 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.156 -3.809 -10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.523 -3.880 -11.299 1.00 0.00 H new ATOM 1334 N VAL A 82 -4.508 -2.033 -4.203 1.00 0.00 N ATOM 1335 CA VAL A 82 -3.902 -3.322 -3.913 1.00 0.00 C ATOM 1336 C VAL A 82 -4.514 -4.370 -4.843 1.00 0.00 C ATOM 1337 O VAL A 82 -5.710 -4.645 -4.763 1.00 0.00 O ATOM 1338 CB VAL A 82 -4.092 -3.684 -2.430 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -3.420 -5.026 -2.134 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -3.479 -2.617 -1.513 1.00 0.00 C ATOM 0 H VAL A 82 -5.527 -2.060 -4.247 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.827 -3.283 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.163 -3.743 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.558 -5.278 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.868 -5.802 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.355 -4.956 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.630 -2.902 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.411 -2.533 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.960 -1.657 -1.700 1.00 0.00 H new ATOM 1350 N ASN A 83 -3.679 -4.954 -5.712 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.023 -6.061 -6.594 1.00 0.00 C ATOM 1352 C ASN A 83 -2.960 -7.152 -6.430 1.00 0.00 C ATOM 1353 O ASN A 83 -1.976 -7.152 -7.166 1.00 0.00 O ATOM 1354 CB ASN A 83 -4.020 -5.589 -8.053 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.300 -4.854 -8.407 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -5.389 -3.644 -8.225 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -6.288 -5.587 -8.925 1.00 0.00 N ATOM 0 H ASN A 83 -2.711 -4.652 -5.819 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.013 -6.439 -6.340 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.165 -4.934 -8.222 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.899 -6.448 -8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.167 -5.143 -9.190 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.163 -6.591 -9.056 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.155 -8.100 -5.506 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.411 -9.359 -5.521 1.00 0.00 C ATOM 1366 C HIS A 84 -3.074 -10.231 -6.597 1.00 0.00 C ATOM 1367 O HIS A 84 -4.239 -10.005 -6.925 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.500 -10.025 -4.149 1.00 0.00 C ATOM 1369 CG HIS A 84 -1.811 -11.362 -4.088 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.558 -12.535 -4.060 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.479 -11.688 -4.089 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.661 -13.517 -4.013 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.397 -13.065 -4.047 1.00 0.00 N ATOM 0 H HIS A 84 -3.823 -8.016 -4.739 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.354 -9.208 -5.741 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.060 -9.363 -3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.549 -10.153 -3.883 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.350 -10.997 -4.117 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.921 -14.563 -3.954 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.454 -13.627 -4.043 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.372 -11.227 -7.147 1.00 0.00 N ATOM 1382 CA VAL A 85 -2.933 -12.079 -8.194 1.00 0.00 C ATOM 1383 C VAL A 85 -4.266 -12.715 -7.785 1.00 0.00 C ATOM 1384 O VAL A 85 -5.172 -12.811 -8.611 1.00 0.00 O ATOM 1385 CB VAL A 85 -1.905 -13.116 -8.679 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.491 -14.127 -7.603 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.421 -13.871 -9.910 1.00 0.00 C ATOM 0 H VAL A 85 -1.415 -11.461 -6.883 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.164 -11.436 -9.043 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.017 -12.539 -8.938 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.765 -14.825 -8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.045 -13.599 -6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.369 -14.677 -7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.674 -14.597 -10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.346 -14.389 -9.658 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.610 -13.164 -10.718 1.00 0.00 H new ATOM 1397 N THR A 86 -4.403 -13.131 -6.518 1.00 0.00 N ATOM 1398 CA THR A 86 -5.614 -13.792 -6.050 1.00 0.00 C ATOM 1399 C THR A 86 -6.786 -12.818 -5.873 1.00 0.00 C ATOM 1400 O THR A 86 -7.937 -13.246 -5.935 1.00 0.00 O ATOM 1401 CB THR A 86 -5.326 -14.645 -4.807 1.00 0.00 C ATOM 1402 OG1 THR A 86 -6.228 -15.731 -4.773 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.458 -13.853 -3.507 1.00 0.00 C ATOM 0 H THR A 86 -3.684 -13.018 -5.803 1.00 0.00 H new ATOM 0 HA THR A 86 -5.943 -14.479 -6.829 1.00 0.00 H new ATOM 0 HB THR A 86 -4.295 -14.990 -4.880 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.745 -16.563 -4.957 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.244 -14.505 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.752 -13.023 -3.514 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.473 -13.465 -3.419 1.00 0.00 H new ATOM 1411 N LEU A 87 -6.517 -11.516 -5.681 1.00 0.00 N ATOM 1412 CA LEU A 87 -7.563 -10.503 -5.671 1.00 0.00 C ATOM 1413 C LEU A 87 -8.099 -10.342 -7.092 1.00 0.00 C ATOM 1414 O LEU A 87 -7.460 -9.717 -7.936 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.032 -9.160 -5.152 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.124 -8.975 -3.631 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -6.549 -10.152 -2.840 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -6.390 -7.683 -3.248 1.00 0.00 C ATOM 0 H LEU A 87 -5.578 -11.148 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.361 -10.822 -5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.990 -9.056 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.586 -8.355 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.181 -8.920 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.646 -9.955 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.095 -11.061 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.496 -10.279 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.447 -7.538 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.345 -7.755 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.856 -6.837 -3.753 1.00 0.00 H new ATOM 1430 N SER A 88 -9.302 -10.875 -7.329 1.00 0.00 N ATOM 1431 CA SER A 88 -10.036 -10.705 -8.574 1.00 0.00 C ATOM 1432 C SER A 88 -10.526 -9.259 -8.759 1.00 0.00 C ATOM 1433 O SER A 88 -10.976 -8.912 -9.849 1.00 0.00 O ATOM 1434 CB SER A 88 -11.205 -11.699 -8.589 1.00 0.00 C ATOM 1435 OG SER A 88 -11.875 -11.684 -9.833 1.00 0.00 O ATOM 0 H SER A 88 -9.797 -11.446 -6.644 1.00 0.00 H new ATOM 0 HA SER A 88 -9.370 -10.908 -9.413 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.834 -12.703 -8.385 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.907 -11.451 -7.793 1.00 0.00 H new ATOM 0 HG SER A 88 -11.748 -10.812 -10.262 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.440 -8.419 -7.715 1.00 0.00 N ATOM 1442 CA GLN A 89 -10.871 -7.029 -7.734 1.00 0.00 C ATOM 1443 C GLN A 89 -9.790 -6.158 -7.086 1.00 0.00 C ATOM 1444 O GLN A 89 -9.160 -6.595 -6.126 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.223 -6.881 -7.021 1.00 0.00 C ATOM 1446 CG GLN A 89 -12.226 -7.429 -5.587 1.00 0.00 C ATOM 1447 CD GLN A 89 -13.514 -7.075 -4.847 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -13.476 -6.405 -3.817 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -14.659 -7.522 -5.365 1.00 0.00 N ATOM 0 H GLN A 89 -10.057 -8.705 -6.814 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.010 -6.697 -8.763 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.499 -5.827 -6.998 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.988 -7.398 -7.600 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.107 -8.512 -5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.372 -7.027 -5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.649 -8.075 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.544 -7.310 -4.904 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.560 -4.931 -7.576 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.581 -4.027 -6.998 1.00 0.00 C ATOM 1460 C PRO A 90 -9.128 -3.496 -5.669 1.00 0.00 C ATOM 1461 O PRO A 90 -10.087 -2.725 -5.651 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.444 -2.904 -8.033 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.820 -2.841 -8.695 1.00 0.00 C ATOM 1464 CD PRO A 90 -10.254 -4.306 -8.694 1.00 0.00 C ATOM 0 HA PRO A 90 -7.619 -4.494 -6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.184 -1.956 -7.561 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.661 -3.124 -8.759 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.512 -2.212 -8.134 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.766 -2.434 -9.705 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.335 -4.392 -8.580 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.993 -4.791 -9.635 1.00 0.00 H new ATOM 1472 N LYS A 91 -8.526 -3.912 -4.552 1.00 0.00 N ATOM 1473 CA LYS A 91 -8.913 -3.453 -3.228 1.00 0.00 C ATOM 1474 C LYS A 91 -8.224 -2.112 -2.980 1.00 0.00 C ATOM 1475 O LYS A 91 -7.054 -2.081 -2.601 1.00 0.00 O ATOM 1476 CB LYS A 91 -8.522 -4.505 -2.177 1.00 0.00 C ATOM 1477 CG LYS A 91 -9.325 -5.812 -2.299 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.793 -5.710 -1.854 1.00 0.00 C ATOM 1479 CE LYS A 91 -10.937 -5.558 -0.333 1.00 0.00 C ATOM 1480 NZ LYS A 91 -12.352 -5.591 0.076 1.00 0.00 N ATOM 0 H LYS A 91 -7.754 -4.579 -4.547 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.992 -3.317 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.460 -4.729 -2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.670 -4.087 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.297 -6.144 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.832 -6.582 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.260 -4.858 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.331 -6.601 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.393 -6.358 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.486 -4.618 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.417 -5.486 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.865 -4.812 -0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.774 -6.498 -0.207 1.00 0.00 H new ATOM 1494 N ILE A 92 -8.938 -1.002 -3.213 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.390 0.332 -3.030 1.00 0.00 C ATOM 1496 C ILE A 92 -8.463 0.700 -1.541 1.00 0.00 C ATOM 1497 O ILE A 92 -9.339 1.456 -1.122 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.094 1.363 -3.935 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.355 0.889 -5.377 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.243 2.640 -3.954 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.097 0.502 -6.157 1.00 0.00 C ATOM 0 H ILE A 92 -9.907 -1.012 -3.532 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.344 0.343 -3.335 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.083 1.533 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.027 0.031 -5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.873 1.681 -5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.721 3.386 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.151 3.031 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.252 2.411 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.376 0.181 -7.161 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.431 1.362 -6.223 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.587 -0.313 -5.644 1.00 0.00 H new ATOM 1513 N VAL A 93 -7.553 0.141 -0.734 1.00 0.00 N ATOM 1514 CA VAL A 93 -7.520 0.346 0.709 1.00 0.00 C ATOM 1515 C VAL A 93 -7.115 1.791 1.006 1.00 0.00 C ATOM 1516 O VAL A 93 -6.000 2.206 0.696 1.00 0.00 O ATOM 1517 CB VAL A 93 -6.574 -0.663 1.383 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -6.584 -0.475 2.907 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -7.001 -2.103 1.070 1.00 0.00 C ATOM 0 H VAL A 93 -6.813 -0.473 -1.074 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.513 0.174 1.124 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.572 -0.484 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.909 -1.197 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.256 0.535 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.594 -0.630 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.318 -2.799 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.013 -2.271 1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.976 -2.264 -0.008 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.036 2.555 1.600 1.00 0.00 N ATOM 1530 CA LYS A 94 -7.854 3.968 1.887 1.00 0.00 C ATOM 1531 C LYS A 94 -6.991 4.157 3.138 1.00 0.00 C ATOM 1532 O LYS A 94 -7.077 3.369 4.078 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.237 4.614 2.023 1.00 0.00 C ATOM 1534 CG LYS A 94 -9.159 6.145 2.064 1.00 0.00 C ATOM 1535 CD LYS A 94 -10.540 6.794 1.895 1.00 0.00 C ATOM 1536 CE LYS A 94 -10.921 7.080 0.433 1.00 0.00 C ATOM 1537 NZ LYS A 94 -11.130 5.871 -0.379 1.00 0.00 N ATOM 0 H LYS A 94 -8.943 2.196 1.898 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.321 4.459 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.864 4.306 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.718 4.252 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.723 6.461 3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.494 6.496 1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.294 6.141 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.562 7.729 2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.832 7.678 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.136 7.682 -0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.637 6.122 -1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.209 5.452 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.692 5.183 0.162 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.158 5.203 3.136 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.281 5.541 4.247 1.00 0.00 C ATOM 1553 C TRP A 95 -6.088 6.204 5.361 1.00 0.00 C ATOM 1554 O TRP A 95 -6.517 7.349 5.222 1.00 0.00 O ATOM 1555 CB TRP A 95 -4.163 6.461 3.744 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.354 7.186 4.781 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.740 6.654 5.862 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -3.075 8.613 4.840 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.120 7.651 6.592 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.353 8.895 6.036 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.338 9.695 3.978 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -1.997 10.207 6.397 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.907 10.992 4.284 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.309 11.261 5.525 1.00 0.00 C ATOM 0 H TRP A 95 -6.078 5.845 2.347 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.828 4.637 4.655 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.480 5.864 3.139 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.608 7.204 3.082 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.735 5.605 6.117 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.563 7.490 7.431 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.883 9.521 3.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -1.491 10.400 7.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.035 11.787 3.564 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.089 12.280 5.809 1.00 0.00 H new ATOM 1575 N ASP A 96 -6.264 5.487 6.475 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.827 6.029 7.700 1.00 0.00 C ATOM 1577 C ASP A 96 -5.842 7.009 8.339 1.00 0.00 C ATOM 1578 O ASP A 96 -4.629 6.857 8.206 1.00 0.00 O ATOM 1579 CB ASP A 96 -7.176 4.891 8.667 1.00 0.00 C ATOM 1580 CG ASP A 96 -5.973 4.003 8.983 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -5.606 3.210 8.087 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -5.446 4.131 10.108 1.00 0.00 O ATOM 0 H ASP A 96 -6.014 4.501 6.545 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.744 6.570 7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.566 5.312 9.594 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.970 4.282 8.235 1.00 0.00 H new