USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 714 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 17 HIS : no HD1:sc= -14.1! C(o=-16!,f=-16!) USER MOD Set 1.2: A 30 TYR OH : rot -119:sc= -2.21! USER MOD Single : A 1 LYS N :NH3+ 156:sc= -0.81 (180deg=-2.75!) USER MOD Single : A 1 LYS NZ :NH3+ -159:sc= -0.142 (180deg=-0.763) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.0462 K(o=0.046,f=-2.2!) USER MOD Single : A 9 GLN : amide:sc= -1.42! C(o=-1.4!,f=-4.3!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0535 K(o=-0.053,f=-1.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.542 F(o=-1.1,f=-0.54) USER MOD Single : A 40 CYS SG : rot 55:sc= -0.282 USER MOD Single : A 42 THR OG1 : rot -130:sc= 0.539 USER MOD Single : A 47 TYR OH : rot -40:sc= -4.93! USER MOD Single : A 55 GLN : amide:sc= -4.11! C(o=-4.1!,f=-4.2!) USER MOD Single : A 58 GLN : amide:sc= -0.123 K(o=-0.12,f=-5.7!) USER MOD Single : A 59 SER OG : rot -146:sc= -0.655 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0389 K(o=-0.039,f=-1.6!) USER MOD Single : A 63 THR OG1 : rot -67:sc= -1.76! USER MOD Single : A 65 ASN : amide:sc= -4.62! C(o=-4.6!,f=-5.6!) USER MOD Single : A 69 SER OG : rot 116:sc= 1.29 USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -129:sc= -1.07 USER MOD Single : A 85 THR OG1 : rot 74:sc= 0.177 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.365 3.589 10.857 1.00 0.00 N ATOM 2 CA LYS A 1 -7.559 3.729 9.385 1.00 0.00 C ATOM 3 C LYS A 1 -6.317 4.368 8.769 1.00 0.00 C ATOM 4 O LYS A 1 -6.398 5.200 7.886 1.00 0.00 O ATOM 5 CB LYS A 1 -8.783 4.605 9.105 1.00 0.00 C ATOM 6 CG LYS A 1 -8.975 5.603 10.250 1.00 0.00 C ATOM 7 CD LYS A 1 -9.368 6.968 9.683 1.00 0.00 C ATOM 8 CE LYS A 1 -9.582 7.956 10.832 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.627 7.427 11.754 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.292 3.550 11.327 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.839 2.714 11.056 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.829 4.405 11.216 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.717 2.744 8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.653 5.138 8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.671 3.982 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.747 5.245 10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.055 5.690 10.828 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.588 7.334 9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.279 6.879 9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.648 8.109 11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.886 8.927 10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.027 8.209 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.382 6.974 11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.202 6.728 12.396 1.00 0.00 H new ATOM 25 N LYS A 2 -5.167 3.981 9.234 1.00 0.00 N ATOM 26 CA LYS A 2 -3.910 4.557 8.690 1.00 0.00 C ATOM 27 C LYS A 2 -2.951 3.423 8.316 1.00 0.00 C ATOM 28 O LYS A 2 -3.068 2.310 8.790 1.00 0.00 O ATOM 29 CB LYS A 2 -3.294 5.479 9.758 1.00 0.00 C ATOM 30 CG LYS A 2 -1.810 5.161 9.997 1.00 0.00 C ATOM 31 CD LYS A 2 -1.260 6.083 11.086 1.00 0.00 C ATOM 32 CE LYS A 2 -0.141 6.949 10.504 1.00 0.00 C ATOM 33 NZ LYS A 2 0.467 7.770 11.588 1.00 0.00 N ATOM 0 H LYS A 2 -5.042 3.287 9.971 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.109 5.140 7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.398 6.518 9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.844 5.371 10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.694 4.119 10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.245 5.294 9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.057 6.715 11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.881 5.493 11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.618 6.318 10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.537 7.596 9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.228 8.359 11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.261 8.382 12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.859 7.143 12.320 1.00 0.00 H new ATOM 47 N ALA A 3 -2.001 3.708 7.473 1.00 0.00 N ATOM 48 CA ALA A 3 -1.025 2.660 7.065 1.00 0.00 C ATOM 49 C ALA A 3 0.339 3.302 6.807 1.00 0.00 C ATOM 50 O ALA A 3 0.453 4.265 6.081 1.00 0.00 O ATOM 51 CB ALA A 3 -1.517 1.975 5.791 1.00 0.00 C ATOM 0 H ALA A 3 -1.857 4.624 7.047 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.931 1.922 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.803 1.208 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.488 1.515 5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.612 2.713 4.994 1.00 0.00 H new ATOM 57 N VAL A 4 1.376 2.779 7.402 1.00 0.00 N ATOM 58 CA VAL A 4 2.731 3.366 7.196 1.00 0.00 C ATOM 59 C VAL A 4 3.593 2.410 6.371 1.00 0.00 C ATOM 60 O VAL A 4 3.753 1.256 6.714 1.00 0.00 O ATOM 61 CB VAL A 4 3.390 3.589 8.557 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.688 4.380 8.378 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.430 4.368 9.459 1.00 0.00 C ATOM 0 H VAL A 4 1.344 1.970 8.022 1.00 0.00 H new ATOM 0 HA VAL A 4 2.638 4.314 6.665 1.00 0.00 H new ATOM 0 HB VAL A 4 3.620 2.627 9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.155 4.537 9.350 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.368 3.822 7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.466 5.345 7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.895 4.530 10.431 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.201 5.330 9.001 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.509 3.799 9.587 1.00 0.00 H new ATOM 73 N ILE A 5 4.160 2.878 5.290 1.00 0.00 N ATOM 74 CA ILE A 5 5.017 1.980 4.465 1.00 0.00 C ATOM 75 C ILE A 5 6.484 2.216 4.806 1.00 0.00 C ATOM 76 O ILE A 5 7.120 3.113 4.286 1.00 0.00 O ATOM 77 CB ILE A 5 4.791 2.249 2.980 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.272 2.255 2.706 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.510 1.166 2.162 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.886 1.213 1.647 1.00 0.00 C ATOM 0 H ILE A 5 4.068 3.834 4.946 1.00 0.00 H new ATOM 0 HA ILE A 5 4.752 0.945 4.682 1.00 0.00 H new ATOM 0 HB ILE A 5 5.197 3.218 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.734 2.051 3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.966 3.246 2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.354 1.350 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.577 1.192 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.109 0.187 2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.809 1.246 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.405 1.433 0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.169 0.219 1.994 1.00 0.00 H new ATOM 92 N ASN A 6 7.024 1.411 5.674 1.00 0.00 N ATOM 93 CA ASN A 6 8.447 1.564 6.054 1.00 0.00 C ATOM 94 C ASN A 6 9.319 0.929 4.970 1.00 0.00 C ATOM 95 O ASN A 6 9.676 -0.228 5.047 1.00 0.00 O ATOM 96 CB ASN A 6 8.675 0.851 7.385 1.00 0.00 C ATOM 97 CG ASN A 6 7.587 1.265 8.378 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.467 0.802 8.297 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.872 2.124 9.318 1.00 0.00 N ATOM 0 H ASN A 6 6.533 0.647 6.139 1.00 0.00 H new ATOM 0 HA ASN A 6 8.705 2.618 6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.657 -0.229 7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.659 1.103 7.781 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.154 2.407 9.985 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.813 2.513 9.386 1.00 0.00 H new ATOM 106 N GLY A 7 9.649 1.674 3.951 1.00 0.00 N ATOM 107 CA GLY A 7 10.483 1.110 2.849 1.00 0.00 C ATOM 108 C GLY A 7 11.815 0.597 3.400 1.00 0.00 C ATOM 109 O GLY A 7 12.213 -0.521 3.142 1.00 0.00 O ATOM 0 H GLY A 7 9.377 2.650 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.948 0.297 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.664 1.874 2.093 1.00 0.00 H new ATOM 113 N GLU A 8 12.511 1.406 4.149 1.00 0.00 N ATOM 114 CA GLU A 8 13.822 0.964 4.706 1.00 0.00 C ATOM 115 C GLU A 8 13.670 -0.402 5.383 1.00 0.00 C ATOM 116 O GLU A 8 14.633 -1.116 5.578 1.00 0.00 O ATOM 117 CB GLU A 8 14.311 1.990 5.731 1.00 0.00 C ATOM 118 CG GLU A 8 13.471 1.882 7.006 1.00 0.00 C ATOM 119 CD GLU A 8 14.327 1.301 8.133 1.00 0.00 C ATOM 120 OE1 GLU A 8 15.272 0.592 7.828 1.00 0.00 O ATOM 121 OE2 GLU A 8 14.022 1.575 9.282 1.00 0.00 O ATOM 0 H GLU A 8 12.230 2.354 4.400 1.00 0.00 H new ATOM 0 HA GLU A 8 14.546 0.881 3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.362 1.817 5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.236 2.996 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.094 2.865 7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.603 1.247 6.830 1.00 0.00 H new ATOM 128 N GLN A 9 12.473 -0.770 5.750 1.00 0.00 N ATOM 129 CA GLN A 9 12.272 -2.085 6.420 1.00 0.00 C ATOM 130 C GLN A 9 11.907 -3.152 5.384 1.00 0.00 C ATOM 131 O GLN A 9 12.354 -4.280 5.457 1.00 0.00 O ATOM 132 CB GLN A 9 11.140 -1.959 7.440 1.00 0.00 C ATOM 133 CG GLN A 9 11.522 -0.926 8.503 1.00 0.00 C ATOM 134 CD GLN A 9 12.678 -1.465 9.347 1.00 0.00 C ATOM 135 OE1 GLN A 9 13.778 -1.628 8.858 1.00 0.00 O ATOM 136 NE2 GLN A 9 12.475 -1.749 10.604 1.00 0.00 N ATOM 0 H GLN A 9 11.627 -0.217 5.615 1.00 0.00 H new ATOM 0 HA GLN A 9 13.194 -2.378 6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.219 -1.659 6.941 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.949 -2.925 7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.811 0.011 8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.664 -0.709 9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.552 -1.612 11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.240 -2.108 11.176 1.00 0.00 H new ATOM 145 N ILE A 10 11.090 -2.809 4.430 1.00 0.00 N ATOM 146 CA ILE A 10 10.680 -3.794 3.400 1.00 0.00 C ATOM 147 C ILE A 10 11.895 -4.489 2.796 1.00 0.00 C ATOM 148 O ILE A 10 12.946 -3.907 2.616 1.00 0.00 O ATOM 149 CB ILE A 10 9.909 -3.063 2.307 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.490 -2.818 2.792 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.862 -3.897 1.023 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.792 -1.929 1.783 1.00 0.00 C ATOM 0 H ILE A 10 10.686 -1.879 4.321 1.00 0.00 H new ATOM 0 HA ILE A 10 10.052 -4.555 3.863 1.00 0.00 H new ATOM 0 HB ILE A 10 10.411 -2.120 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.957 -3.762 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.500 -2.344 3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.307 -3.355 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.877 -4.082 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.368 -4.848 1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.770 -1.739 2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.328 -0.983 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.776 -2.424 0.812 1.00 0.00 H new ATOM 164 N ARG A 11 11.732 -5.735 2.467 1.00 0.00 N ATOM 165 CA ARG A 11 12.830 -6.509 1.853 1.00 0.00 C ATOM 166 C ARG A 11 12.367 -7.000 0.479 1.00 0.00 C ATOM 167 O ARG A 11 13.137 -7.537 -0.292 1.00 0.00 O ATOM 168 CB ARG A 11 13.148 -7.703 2.747 1.00 0.00 C ATOM 169 CG ARG A 11 14.005 -7.239 3.925 1.00 0.00 C ATOM 170 CD ARG A 11 14.764 -8.431 4.509 1.00 0.00 C ATOM 171 NE ARG A 11 13.868 -9.192 5.424 1.00 0.00 N ATOM 172 CZ ARG A 11 14.195 -10.396 5.807 1.00 0.00 C ATOM 173 NH1 ARG A 11 14.012 -11.408 5.004 1.00 0.00 N ATOM 174 NH2 ARG A 11 14.707 -10.587 6.992 1.00 0.00 N ATOM 0 H ARG A 11 10.866 -6.256 2.602 1.00 0.00 H new ATOM 0 HA ARG A 11 13.722 -5.892 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.225 -8.156 3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.676 -8.468 2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.708 -6.473 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.374 -6.786 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.117 -9.079 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.645 -8.085 5.050 1.00 0.00 H new ATOM 0 HE ARG A 11 12.998 -8.772 5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 11 13.613 -11.258 4.077 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.268 -12.349 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.852 -9.795 7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.963 -11.528 7.292 1.00 0.00 H new ATOM 188 N SER A 12 11.107 -6.818 0.170 1.00 0.00 N ATOM 189 CA SER A 12 10.588 -7.273 -1.151 1.00 0.00 C ATOM 190 C SER A 12 9.125 -6.843 -1.313 1.00 0.00 C ATOM 191 O SER A 12 8.460 -6.467 -0.361 1.00 0.00 O ATOM 192 CB SER A 12 10.681 -8.797 -1.234 1.00 0.00 C ATOM 193 OG SER A 12 9.657 -9.374 -0.434 1.00 0.00 O ATOM 0 H SER A 12 10.418 -6.374 0.777 1.00 0.00 H new ATOM 0 HA SER A 12 11.184 -6.824 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.577 -9.123 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.659 -9.132 -0.890 1.00 0.00 H new ATOM 0 HG SER A 12 9.713 -10.351 -0.486 1.00 0.00 H new ATOM 199 N ILE A 13 8.613 -6.900 -2.514 1.00 0.00 N ATOM 200 CA ILE A 13 7.196 -6.501 -2.730 1.00 0.00 C ATOM 201 C ILE A 13 6.324 -7.208 -1.697 1.00 0.00 C ATOM 202 O ILE A 13 5.494 -6.600 -1.057 1.00 0.00 O ATOM 203 CB ILE A 13 6.746 -6.905 -4.133 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.331 -6.383 -4.376 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.754 -8.428 -4.250 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.262 -4.901 -4.002 1.00 0.00 C ATOM 0 H ILE A 13 9.113 -7.204 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 13 7.102 -5.420 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 13 7.425 -6.481 -4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.057 -6.518 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.615 -6.952 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.433 -8.718 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.762 -8.801 -4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.073 -8.853 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.252 -4.529 -4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.518 -4.779 -2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.966 -4.338 -4.614 1.00 0.00 H new ATOM 218 N SER A 14 6.514 -8.488 -1.517 1.00 0.00 N ATOM 219 CA SER A 14 5.699 -9.214 -0.509 1.00 0.00 C ATOM 220 C SER A 14 5.710 -8.399 0.779 1.00 0.00 C ATOM 221 O SER A 14 4.687 -8.161 1.387 1.00 0.00 O ATOM 222 CB SER A 14 6.309 -10.589 -0.253 1.00 0.00 C ATOM 223 OG SER A 14 6.061 -11.429 -1.372 1.00 0.00 O ATOM 0 H SER A 14 7.194 -9.056 -2.022 1.00 0.00 H new ATOM 0 HA SER A 14 4.678 -9.345 -0.866 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.382 -10.498 -0.083 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.880 -11.028 0.648 1.00 0.00 H new ATOM 0 HG SER A 14 6.453 -12.313 -1.211 1.00 0.00 H new ATOM 229 N ASP A 15 6.867 -7.954 1.185 1.00 0.00 N ATOM 230 CA ASP A 15 6.964 -7.132 2.415 1.00 0.00 C ATOM 231 C ASP A 15 6.062 -5.913 2.267 1.00 0.00 C ATOM 232 O ASP A 15 5.355 -5.531 3.175 1.00 0.00 O ATOM 233 CB ASP A 15 8.403 -6.657 2.595 1.00 0.00 C ATOM 234 CG ASP A 15 8.948 -7.159 3.933 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.725 -6.491 4.929 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.579 -8.203 3.939 1.00 0.00 O ATOM 0 H ASP A 15 7.753 -8.128 0.711 1.00 0.00 H new ATOM 0 HA ASP A 15 6.660 -7.726 3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.023 -7.026 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.444 -5.568 2.560 1.00 0.00 H new ATOM 241 N LEU A 16 6.085 -5.304 1.116 1.00 0.00 N ATOM 242 CA LEU A 16 5.229 -4.107 0.884 1.00 0.00 C ATOM 243 C LEU A 16 3.783 -4.466 1.224 1.00 0.00 C ATOM 244 O LEU A 16 3.118 -3.801 1.997 1.00 0.00 O ATOM 245 CB LEU A 16 5.327 -3.718 -0.592 1.00 0.00 C ATOM 246 CG LEU A 16 4.723 -2.330 -0.815 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.438 -1.310 0.070 1.00 0.00 C ATOM 248 CD2 LEU A 16 4.899 -1.935 -2.283 1.00 0.00 C ATOM 0 H LEU A 16 6.662 -5.584 0.322 1.00 0.00 H new ATOM 0 HA LEU A 16 5.556 -3.274 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.370 -3.724 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.804 -4.453 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 16 3.663 -2.350 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.006 -0.322 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.321 -1.591 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.498 -1.288 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.470 -0.946 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.960 -1.916 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.392 -2.661 -2.918 1.00 0.00 H new ATOM 260 N HIS A 17 3.309 -5.530 0.650 1.00 0.00 N ATOM 261 CA HIS A 17 1.925 -5.989 0.906 1.00 0.00 C ATOM 262 C HIS A 17 1.811 -6.456 2.356 1.00 0.00 C ATOM 263 O HIS A 17 0.737 -6.519 2.919 1.00 0.00 O ATOM 264 CB HIS A 17 1.632 -7.149 -0.043 1.00 0.00 C ATOM 265 CG HIS A 17 1.865 -6.697 -1.457 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.160 -5.647 -2.024 1.00 0.00 N ATOM 267 CD2 HIS A 17 2.722 -7.144 -2.432 1.00 0.00 C ATOM 268 CE1 HIS A 17 1.601 -5.499 -3.287 1.00 0.00 C ATOM 269 NE2 HIS A 17 2.552 -6.385 -3.586 1.00 0.00 N ATOM 0 H HIS A 17 3.836 -6.113 -0.000 1.00 0.00 H new ATOM 0 HA HIS A 17 1.211 -5.182 0.741 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.274 -7.998 0.191 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.602 -7.485 0.080 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.421 -7.960 -2.320 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.230 -4.753 -3.975 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.049 -6.485 -4.471 1.00 0.00 H new ATOM 277 N GLN A 18 2.915 -6.780 2.967 1.00 0.00 N ATOM 278 CA GLN A 18 2.880 -7.236 4.375 1.00 0.00 C ATOM 279 C GLN A 18 2.496 -6.060 5.266 1.00 0.00 C ATOM 280 O GLN A 18 1.558 -6.129 6.035 1.00 0.00 O ATOM 281 CB GLN A 18 4.260 -7.753 4.779 1.00 0.00 C ATOM 282 CG GLN A 18 4.132 -9.175 5.330 1.00 0.00 C ATOM 283 CD GLN A 18 3.534 -9.126 6.737 1.00 0.00 C ATOM 284 OE1 GLN A 18 3.854 -8.249 7.516 1.00 0.00 O ATOM 285 NE2 GLN A 18 2.672 -10.036 7.099 1.00 0.00 N ATOM 0 H GLN A 18 3.843 -6.747 2.546 1.00 0.00 H new ATOM 0 HA GLN A 18 2.150 -8.038 4.486 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.929 -7.744 3.919 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.699 -7.098 5.532 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.499 -9.774 4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.110 -9.656 5.356 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.403 -10.772 6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.267 -10.011 8.035 1.00 0.00 H new ATOM 294 N THR A 19 3.215 -4.976 5.167 1.00 0.00 N ATOM 295 CA THR A 19 2.896 -3.796 6.000 1.00 0.00 C ATOM 296 C THR A 19 1.519 -3.267 5.583 1.00 0.00 C ATOM 297 O THR A 19 0.716 -2.892 6.408 1.00 0.00 O ATOM 298 CB THR A 19 3.998 -2.730 5.820 1.00 0.00 C ATOM 299 OG1 THR A 19 4.618 -2.492 7.076 1.00 0.00 O ATOM 300 CG2 THR A 19 3.423 -1.409 5.298 1.00 0.00 C ATOM 0 H THR A 19 4.012 -4.862 4.541 1.00 0.00 H new ATOM 0 HA THR A 19 2.861 -4.060 7.057 1.00 0.00 H new ATOM 0 HB THR A 19 4.718 -3.104 5.092 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.321 -1.817 6.971 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.227 -0.682 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.945 -1.576 4.333 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.687 -1.027 6.006 1.00 0.00 H new ATOM 308 N LEU A 20 1.239 -3.249 4.308 1.00 0.00 N ATOM 309 CA LEU A 20 -0.080 -2.766 3.847 1.00 0.00 C ATOM 310 C LEU A 20 -1.160 -3.674 4.433 1.00 0.00 C ATOM 311 O LEU A 20 -2.255 -3.263 4.726 1.00 0.00 O ATOM 312 CB LEU A 20 -0.128 -2.849 2.326 1.00 0.00 C ATOM 313 CG LEU A 20 0.781 -1.779 1.718 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.737 -1.889 0.196 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.304 -0.388 2.146 1.00 0.00 C ATOM 0 H LEU A 20 1.874 -3.550 3.569 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.242 -1.737 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.189 -3.838 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.151 -2.710 1.977 1.00 0.00 H new ATOM 0 HG LEU A 20 1.802 -1.929 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.383 -1.129 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.082 -2.877 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.286 -1.740 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.955 0.370 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.718 -0.231 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.335 -0.311 3.233 1.00 0.00 H new ATOM 327 N LYS A 21 -0.833 -4.915 4.590 1.00 0.00 N ATOM 328 CA LYS A 21 -1.795 -5.909 5.148 1.00 0.00 C ATOM 329 C LYS A 21 -1.987 -5.664 6.643 1.00 0.00 C ATOM 330 O LYS A 21 -3.071 -5.788 7.167 1.00 0.00 O ATOM 331 CB LYS A 21 -1.234 -7.315 4.941 1.00 0.00 C ATOM 332 CG LYS A 21 -2.111 -8.335 5.672 1.00 0.00 C ATOM 333 CD LYS A 21 -1.364 -9.667 5.776 1.00 0.00 C ATOM 334 CE LYS A 21 -2.073 -10.718 4.920 1.00 0.00 C ATOM 335 NZ LYS A 21 -1.076 -11.709 4.426 1.00 0.00 N ATOM 0 H LYS A 21 0.081 -5.299 4.351 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.754 -5.808 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.197 -7.549 3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.211 -7.367 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.362 -7.968 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.050 -8.473 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.334 -9.545 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.326 -9.994 6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.843 -11.221 5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.574 -10.240 4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.557 -12.424 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.357 -11.222 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.617 -12.173 5.236 1.00 0.00 H new ATOM 349 N LYS A 22 -0.940 -5.324 7.333 1.00 0.00 N ATOM 350 CA LYS A 22 -1.052 -5.070 8.789 1.00 0.00 C ATOM 351 C LYS A 22 -1.912 -3.832 9.008 1.00 0.00 C ATOM 352 O LYS A 22 -2.882 -3.843 9.740 1.00 0.00 O ATOM 353 CB LYS A 22 0.340 -4.806 9.345 1.00 0.00 C ATOM 354 CG LYS A 22 0.278 -4.672 10.868 1.00 0.00 C ATOM 355 CD LYS A 22 1.666 -4.315 11.402 1.00 0.00 C ATOM 356 CE LYS A 22 1.529 -3.569 12.730 1.00 0.00 C ATOM 357 NZ LYS A 22 1.331 -4.552 13.832 1.00 0.00 N ATOM 0 H LYS A 22 -0.003 -5.210 6.946 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.501 -5.929 9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.011 -5.620 9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.749 -3.895 8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.441 -3.902 11.148 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.066 -5.606 11.313 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.257 -5.220 11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.197 -3.696 10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.421 -2.971 12.917 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.686 -2.879 12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.238 -4.046 14.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.468 -5.104 13.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.149 -5.193 13.877 1.00 0.00 H new ATOM 371 N GLU A 23 -1.550 -2.765 8.361 1.00 0.00 N ATOM 372 CA GLU A 23 -2.302 -1.504 8.483 1.00 0.00 C ATOM 373 C GLU A 23 -3.714 -1.723 7.956 1.00 0.00 C ATOM 374 O GLU A 23 -4.691 -1.628 8.673 1.00 0.00 O ATOM 375 CB GLU A 23 -1.586 -0.461 7.630 1.00 0.00 C ATOM 376 CG GLU A 23 -0.187 -0.220 8.202 1.00 0.00 C ATOM 377 CD GLU A 23 -0.301 0.451 9.572 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.755 -0.204 10.495 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.069 1.609 9.675 1.00 0.00 O ATOM 0 H GLU A 23 -0.743 -2.719 7.739 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.357 -1.172 9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.516 -0.803 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.153 0.470 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.348 -1.166 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.390 0.409 7.525 1.00 0.00 H new ATOM 386 N LEU A 24 -3.810 -2.033 6.702 1.00 0.00 N ATOM 387 CA LEU A 24 -5.125 -2.288 6.075 1.00 0.00 C ATOM 388 C LEU A 24 -5.766 -3.510 6.732 1.00 0.00 C ATOM 389 O LEU A 24 -6.932 -3.791 6.537 1.00 0.00 O ATOM 390 CB LEU A 24 -4.892 -2.572 4.594 1.00 0.00 C ATOM 391 CG LEU A 24 -4.153 -1.393 3.962 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.262 -1.902 2.828 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.167 -0.391 3.407 1.00 0.00 C ATOM 0 H LEU A 24 -3.014 -2.122 6.071 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.783 -1.428 6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.311 -3.486 4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.844 -2.732 4.089 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.537 -0.903 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.734 -1.063 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.539 -2.614 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.877 -2.392 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.639 0.449 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.784 -0.878 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.801 -0.029 4.216 1.00 0.00 H new ATOM 405 N ALA A 25 -5.011 -4.245 7.504 1.00 0.00 N ATOM 406 CA ALA A 25 -5.574 -5.450 8.162 1.00 0.00 C ATOM 407 C ALA A 25 -6.263 -6.331 7.116 1.00 0.00 C ATOM 408 O ALA A 25 -7.401 -6.726 7.273 1.00 0.00 O ATOM 409 CB ALA A 25 -6.580 -5.006 9.216 1.00 0.00 C ATOM 0 H ALA A 25 -4.028 -4.059 7.705 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.778 -6.025 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.002 -5.882 9.708 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.080 -4.380 9.955 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.379 -4.437 8.740 1.00 0.00 H new ATOM 415 N LEU A 26 -5.574 -6.648 6.050 1.00 0.00 N ATOM 416 CA LEU A 26 -6.184 -7.512 4.997 1.00 0.00 C ATOM 417 C LEU A 26 -6.302 -8.940 5.539 1.00 0.00 C ATOM 418 O LEU A 26 -5.649 -9.286 6.503 1.00 0.00 O ATOM 419 CB LEU A 26 -5.293 -7.506 3.749 1.00 0.00 C ATOM 420 CG LEU A 26 -4.912 -6.068 3.393 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.833 -6.077 2.313 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.147 -5.325 2.875 1.00 0.00 C ATOM 0 H LEU A 26 -4.618 -6.346 5.864 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.171 -7.134 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.395 -8.096 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.817 -7.971 2.914 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.531 -5.564 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.563 -5.052 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.953 -6.604 2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.212 -6.582 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.875 -4.300 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.529 -5.829 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.916 -5.316 3.647 1.00 0.00 H new ATOM 434 N PRO A 27 -7.135 -9.729 4.909 1.00 0.00 N ATOM 435 CA PRO A 27 -7.351 -11.124 5.326 1.00 0.00 C ATOM 436 C PRO A 27 -6.038 -11.907 5.272 1.00 0.00 C ATOM 437 O PRO A 27 -4.986 -11.358 5.010 1.00 0.00 O ATOM 438 CB PRO A 27 -8.348 -11.687 4.309 1.00 0.00 C ATOM 439 CG PRO A 27 -8.755 -10.534 3.357 1.00 0.00 C ATOM 440 CD PRO A 27 -7.923 -9.301 3.739 1.00 0.00 C ATOM 0 HA PRO A 27 -7.720 -11.195 6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.899 -12.506 3.747 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.224 -12.091 4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.573 -10.812 2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.820 -10.320 3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.276 -8.990 2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.562 -8.452 3.981 1.00 0.00 H new ATOM 448 N GLU A 28 -6.094 -13.187 5.513 1.00 0.00 N ATOM 449 CA GLU A 28 -4.853 -14.007 5.471 1.00 0.00 C ATOM 450 C GLU A 28 -4.561 -14.401 4.022 1.00 0.00 C ATOM 451 O GLU A 28 -3.453 -14.760 3.677 1.00 0.00 O ATOM 452 CB GLU A 28 -5.043 -15.267 6.317 1.00 0.00 C ATOM 453 CG GLU A 28 -5.057 -14.889 7.799 1.00 0.00 C ATOM 454 CD GLU A 28 -5.803 -15.963 8.594 1.00 0.00 C ATOM 455 OE1 GLU A 28 -7.011 -15.847 8.719 1.00 0.00 O ATOM 456 OE2 GLU A 28 -5.153 -16.882 9.065 1.00 0.00 O ATOM 0 H GLU A 28 -6.946 -13.700 5.737 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.018 -13.430 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.977 -15.761 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.239 -15.976 6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.037 -14.791 8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.540 -13.921 7.934 1.00 0.00 H new ATOM 463 N TYR A 29 -5.548 -14.331 3.169 1.00 0.00 N ATOM 464 CA TYR A 29 -5.324 -14.697 1.743 1.00 0.00 C ATOM 465 C TYR A 29 -4.943 -13.443 0.952 1.00 0.00 C ATOM 466 O TYR A 29 -4.915 -13.455 -0.263 1.00 0.00 O ATOM 467 CB TYR A 29 -6.601 -15.306 1.157 1.00 0.00 C ATOM 468 CG TYR A 29 -7.654 -14.234 1.016 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.500 -13.943 2.090 1.00 0.00 C ATOM 470 CD2 TYR A 29 -7.780 -13.530 -0.188 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.474 -12.945 1.964 1.00 0.00 C ATOM 472 CE2 TYR A 29 -8.755 -12.533 -0.315 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.602 -12.240 0.761 1.00 0.00 C ATOM 474 OH TYR A 29 -10.562 -11.257 0.636 1.00 0.00 O ATOM 0 H TYR A 29 -6.497 -14.037 3.399 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.518 -15.428 1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.390 -15.753 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.965 -16.105 1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.402 -14.488 3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.126 -13.756 -1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.126 -12.719 2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.854 -11.990 -1.243 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.515 -10.866 -0.261 1.00 0.00 H new ATOM 484 N TYR A 30 -4.648 -12.364 1.636 1.00 0.00 N ATOM 485 CA TYR A 30 -4.260 -11.103 0.931 1.00 0.00 C ATOM 486 C TYR A 30 -3.381 -11.448 -0.275 1.00 0.00 C ATOM 487 O TYR A 30 -2.189 -11.651 -0.151 1.00 0.00 O ATOM 488 CB TYR A 30 -3.481 -10.201 1.895 1.00 0.00 C ATOM 489 CG TYR A 30 -3.019 -8.954 1.175 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.730 -8.480 0.067 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.877 -8.273 1.617 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.300 -7.326 -0.599 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.444 -7.116 0.951 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.157 -6.645 -0.158 1.00 0.00 C ATOM 495 OH TYR A 30 -1.734 -5.508 -0.813 1.00 0.00 O ATOM 0 H TYR A 30 -4.659 -12.303 2.654 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.155 -10.581 0.591 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.111 -9.930 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.622 -10.739 2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.610 -9.004 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.329 -8.639 2.472 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.850 -6.960 -1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.564 -6.591 1.293 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.832 -5.651 -1.167 1.00 0.00 H new ATOM 505 N GLY A 31 -3.967 -11.527 -1.438 1.00 0.00 N ATOM 506 CA GLY A 31 -3.178 -11.873 -2.655 1.00 0.00 C ATOM 507 C GLY A 31 -1.920 -11.009 -2.720 1.00 0.00 C ATOM 508 O GLY A 31 -0.870 -11.460 -3.132 1.00 0.00 O ATOM 0 H GLY A 31 -4.961 -11.366 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.905 -12.928 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.783 -11.718 -3.548 1.00 0.00 H new ATOM 512 N GLU A 32 -2.022 -9.769 -2.322 1.00 0.00 N ATOM 513 CA GLU A 32 -0.838 -8.863 -2.361 1.00 0.00 C ATOM 514 C GLU A 32 -0.639 -8.332 -3.784 1.00 0.00 C ATOM 515 O GLU A 32 0.137 -7.431 -4.012 1.00 0.00 O ATOM 516 CB GLU A 32 0.416 -9.624 -1.918 1.00 0.00 C ATOM 517 CG GLU A 32 0.078 -10.513 -0.719 1.00 0.00 C ATOM 518 CD GLU A 32 1.283 -10.580 0.220 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.286 -11.153 -0.174 1.00 0.00 O ATOM 520 OE2 GLU A 32 1.183 -10.058 1.319 1.00 0.00 O ATOM 0 H GLU A 32 -2.879 -9.343 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.009 -8.026 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.794 -10.232 -2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.206 -8.921 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.788 -10.115 -0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.189 -11.514 -1.058 1.00 0.00 H new ATOM 527 N ASN A 33 -1.338 -8.870 -4.743 1.00 0.00 N ATOM 528 CA ASN A 33 -1.178 -8.365 -6.142 1.00 0.00 C ATOM 529 C ASN A 33 -2.023 -7.102 -6.312 1.00 0.00 C ATOM 530 O ASN A 33 -2.973 -6.885 -5.599 1.00 0.00 O ATOM 531 CB ASN A 33 -1.624 -9.416 -7.178 1.00 0.00 C ATOM 532 CG ASN A 33 -2.184 -10.665 -6.491 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.457 -10.726 -6.213 1.00 0.00 O flip ATOM 534 ND2 ASN A 33 -1.455 -11.594 -6.206 1.00 0.00 N flip ATOM 0 H ASN A 33 -2.008 -9.630 -4.625 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.123 -8.150 -6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.382 -8.987 -7.833 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.778 -9.692 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.460 -11.546 -6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.838 -12.422 -5.749 1.00 0.00 H new ATOM 541 N LEU A 34 -1.695 -6.273 -7.257 1.00 0.00 N ATOM 542 CA LEU A 34 -2.499 -5.036 -7.468 1.00 0.00 C ATOM 543 C LEU A 34 -3.974 -5.409 -7.510 1.00 0.00 C ATOM 544 O LEU A 34 -4.833 -4.709 -7.021 1.00 0.00 O ATOM 545 CB LEU A 34 -2.126 -4.434 -8.811 1.00 0.00 C ATOM 546 CG LEU A 34 -0.673 -3.960 -8.782 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.292 -3.398 -10.153 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.513 -2.868 -7.722 1.00 0.00 C ATOM 0 H LEU A 34 -0.907 -6.395 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.307 -4.327 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.261 -5.173 -9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.786 -3.598 -9.041 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.022 -4.800 -8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.744 -3.060 -10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.405 -4.175 -10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.943 -2.558 -10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.523 -2.530 -7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.164 -2.028 -7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.784 -3.267 -6.745 1.00 0.00 H new ATOM 560 N ASP A 35 -4.253 -6.512 -8.119 1.00 0.00 N ATOM 561 CA ASP A 35 -5.652 -6.995 -8.246 1.00 0.00 C ATOM 562 C ASP A 35 -6.252 -7.249 -6.867 1.00 0.00 C ATOM 563 O ASP A 35 -7.398 -6.939 -6.605 1.00 0.00 O ATOM 564 CB ASP A 35 -5.626 -8.315 -9.000 1.00 0.00 C ATOM 565 CG ASP A 35 -5.110 -8.089 -10.422 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.615 -7.193 -11.079 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.218 -8.815 -10.830 1.00 0.00 O ATOM 0 H ASP A 35 -3.555 -7.120 -8.548 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.249 -6.246 -8.767 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.987 -9.029 -8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.626 -8.747 -9.031 1.00 0.00 H new ATOM 572 N ALA A 36 -5.486 -7.825 -5.988 1.00 0.00 N ATOM 573 CA ALA A 36 -6.016 -8.120 -4.624 1.00 0.00 C ATOM 574 C ALA A 36 -5.995 -6.845 -3.810 1.00 0.00 C ATOM 575 O ALA A 36 -7.019 -6.320 -3.432 1.00 0.00 O ATOM 576 CB ALA A 36 -5.141 -9.163 -3.936 1.00 0.00 C ATOM 0 H ALA A 36 -4.519 -8.105 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.033 -8.505 -4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.536 -9.371 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.138 -10.081 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.123 -8.784 -3.850 1.00 0.00 H new ATOM 582 N LEU A 37 -4.821 -6.343 -3.560 1.00 0.00 N ATOM 583 CA LEU A 37 -4.677 -5.077 -2.791 1.00 0.00 C ATOM 584 C LEU A 37 -5.800 -4.134 -3.206 1.00 0.00 C ATOM 585 O LEU A 37 -6.539 -3.601 -2.393 1.00 0.00 O ATOM 586 CB LEU A 37 -3.335 -4.445 -3.158 1.00 0.00 C ATOM 587 CG LEU A 37 -3.334 -2.976 -2.737 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.429 -2.879 -1.212 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.045 -2.306 -3.212 1.00 0.00 C ATOM 0 H LEU A 37 -3.941 -6.762 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.723 -5.266 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.522 -4.977 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.163 -4.527 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.190 -2.472 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.428 -1.831 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.351 -3.352 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.575 -3.385 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.047 -1.259 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.187 -2.810 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.980 -2.371 -4.298 1.00 0.00 H new ATOM 601 N TRP A 38 -5.929 -3.942 -4.481 1.00 0.00 N ATOM 602 CA TRP A 38 -6.992 -3.066 -4.994 1.00 0.00 C ATOM 603 C TRP A 38 -8.318 -3.619 -4.534 1.00 0.00 C ATOM 604 O TRP A 38 -9.106 -2.949 -3.906 1.00 0.00 O ATOM 605 CB TRP A 38 -6.984 -3.068 -6.517 1.00 0.00 C ATOM 606 CG TRP A 38 -8.134 -2.247 -6.974 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.380 -2.711 -7.157 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.172 -0.833 -7.266 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.193 -1.664 -7.559 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.486 -0.480 -7.640 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.198 0.164 -7.244 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.817 0.832 -7.981 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.514 1.476 -7.577 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.824 1.819 -7.946 1.00 0.00 C ATOM 0 H TRP A 38 -5.333 -4.362 -5.194 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.833 -2.051 -4.630 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.047 -2.659 -6.895 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.065 -4.086 -6.899 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.697 -3.734 -7.014 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.187 -1.756 -7.769 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.185 -0.086 -6.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.827 1.083 -8.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.747 2.236 -7.552 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.065 2.840 -8.202 1.00 0.00 H new ATOM 625 N ASP A 39 -8.558 -4.853 -4.844 1.00 0.00 N ATOM 626 CA ASP A 39 -9.831 -5.488 -4.428 1.00 0.00 C ATOM 627 C ASP A 39 -10.101 -5.118 -2.972 1.00 0.00 C ATOM 628 O ASP A 39 -11.230 -5.089 -2.523 1.00 0.00 O ATOM 629 CB ASP A 39 -9.715 -7.006 -4.564 1.00 0.00 C ATOM 630 CG ASP A 39 -10.738 -7.509 -5.583 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.740 -6.837 -5.769 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.504 -8.558 -6.161 1.00 0.00 O ATOM 0 H ASP A 39 -7.925 -5.455 -5.371 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.649 -5.140 -5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.708 -7.277 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.884 -7.482 -3.598 1.00 0.00 H new ATOM 637 N CYS A 40 -9.064 -4.828 -2.231 1.00 0.00 N ATOM 638 CA CYS A 40 -9.243 -4.450 -0.810 1.00 0.00 C ATOM 639 C CYS A 40 -9.661 -2.980 -0.716 1.00 0.00 C ATOM 640 O CYS A 40 -10.601 -2.639 -0.028 1.00 0.00 O ATOM 641 CB CYS A 40 -7.919 -4.653 -0.075 1.00 0.00 C ATOM 642 SG CYS A 40 -7.278 -6.308 -0.433 1.00 0.00 S ATOM 0 H CYS A 40 -8.097 -4.839 -2.557 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.017 -5.070 -0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.198 -3.897 -0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.064 -4.532 0.998 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.181 -6.467 -1.720 1.00 0.00 H new ATOM 648 N LEU A 41 -8.963 -2.100 -1.389 1.00 0.00 N ATOM 649 CA LEU A 41 -9.317 -0.662 -1.320 1.00 0.00 C ATOM 650 C LEU A 41 -10.711 -0.417 -1.909 1.00 0.00 C ATOM 651 O LEU A 41 -11.344 0.582 -1.627 1.00 0.00 O ATOM 652 CB LEU A 41 -8.298 0.139 -2.123 1.00 0.00 C ATOM 653 CG LEU A 41 -6.884 -0.358 -1.822 1.00 0.00 C ATOM 654 CD1 LEU A 41 -5.887 0.536 -2.544 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.627 -0.306 -0.315 1.00 0.00 C ATOM 0 H LEU A 41 -8.163 -2.322 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.315 -0.351 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.506 0.043 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.380 1.198 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.774 -1.387 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.874 0.192 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.072 0.495 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.000 1.563 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.618 -0.661 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.731 0.721 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.349 -0.940 0.199 1.00 0.00 H new ATOM 667 N THR A 42 -11.185 -1.300 -2.742 1.00 0.00 N ATOM 668 CA THR A 42 -12.513 -1.098 -3.363 1.00 0.00 C ATOM 669 C THR A 42 -13.569 -1.963 -2.669 1.00 0.00 C ATOM 670 O THR A 42 -14.674 -2.105 -3.153 1.00 0.00 O ATOM 671 CB THR A 42 -12.437 -1.468 -4.845 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.920 -2.786 -4.977 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.518 -0.481 -5.569 1.00 0.00 C ATOM 0 H THR A 42 -10.704 -2.156 -3.018 1.00 0.00 H new ATOM 0 HA THR A 42 -12.799 -0.052 -3.256 1.00 0.00 H new ATOM 0 HB THR A 42 -13.434 -1.424 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.185 -2.786 -5.626 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.463 -0.743 -6.626 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.915 0.529 -5.466 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.521 -0.525 -5.132 1.00 0.00 H new ATOM 681 N GLY A 43 -13.250 -2.542 -1.542 1.00 0.00 N ATOM 682 CA GLY A 43 -14.260 -3.388 -0.843 1.00 0.00 C ATOM 683 C GLY A 43 -13.628 -4.092 0.360 1.00 0.00 C ATOM 684 O GLY A 43 -13.727 -5.295 0.504 1.00 0.00 O ATOM 0 H GLY A 43 -12.344 -2.467 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.095 -2.770 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.664 -4.128 -1.534 1.00 0.00 H new ATOM 688 N TRP A 44 -12.987 -3.360 1.229 1.00 0.00 N ATOM 689 CA TRP A 44 -12.364 -4.001 2.419 1.00 0.00 C ATOM 690 C TRP A 44 -11.756 -2.928 3.323 1.00 0.00 C ATOM 691 O TRP A 44 -12.230 -2.675 4.413 1.00 0.00 O ATOM 692 CB TRP A 44 -11.266 -4.960 1.965 1.00 0.00 C ATOM 693 CG TRP A 44 -10.664 -5.625 3.161 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.613 -5.149 3.867 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.060 -6.870 3.805 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.337 -6.024 4.902 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.202 -7.100 4.906 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.070 -7.813 3.543 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.341 -8.226 5.719 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.213 -8.948 4.359 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.350 -9.153 5.445 1.00 0.00 C ATOM 0 H TRP A 44 -12.868 -2.349 1.166 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.126 -4.551 2.971 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.678 -5.708 1.288 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.499 -4.417 1.412 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.077 -4.235 3.657 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.586 -5.891 5.579 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.740 -7.664 2.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.673 -8.380 6.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.992 -9.666 4.149 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.465 -10.027 6.069 1.00 0.00 H new ATOM 712 N VAL A 45 -10.704 -2.303 2.879 1.00 0.00 N ATOM 713 CA VAL A 45 -10.052 -1.255 3.705 1.00 0.00 C ATOM 714 C VAL A 45 -11.083 -0.201 4.109 1.00 0.00 C ATOM 715 O VAL A 45 -11.890 0.230 3.310 1.00 0.00 O ATOM 716 CB VAL A 45 -8.937 -0.590 2.900 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.191 0.402 3.793 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.960 -1.657 2.398 1.00 0.00 C ATOM 0 H VAL A 45 -10.266 -2.475 1.974 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.633 -1.713 4.601 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.368 -0.064 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.394 0.878 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.885 1.162 4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.761 -0.126 4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.165 -1.181 1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.528 -2.184 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.491 -2.367 1.764 1.00 0.00 H new ATOM 728 N GLU A 46 -11.058 0.225 5.342 1.00 0.00 N ATOM 729 CA GLU A 46 -12.032 1.257 5.790 1.00 0.00 C ATOM 730 C GLU A 46 -11.442 2.646 5.543 1.00 0.00 C ATOM 731 O GLU A 46 -10.308 2.920 5.881 1.00 0.00 O ATOM 732 CB GLU A 46 -12.322 1.082 7.281 1.00 0.00 C ATOM 733 CG GLU A 46 -13.035 -0.252 7.510 1.00 0.00 C ATOM 734 CD GLU A 46 -13.370 -0.405 8.994 1.00 0.00 C ATOM 735 OE1 GLU A 46 -13.139 0.537 9.734 1.00 0.00 O ATOM 736 OE2 GLU A 46 -13.853 -1.462 9.366 1.00 0.00 O ATOM 0 H GLU A 46 -10.406 -0.097 6.057 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.961 1.147 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.392 1.111 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.941 1.904 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.947 -0.296 6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.401 -1.076 7.183 1.00 0.00 H new ATOM 743 N TYR A 47 -12.205 3.523 4.952 1.00 0.00 N ATOM 744 CA TYR A 47 -11.696 4.895 4.675 1.00 0.00 C ATOM 745 C TYR A 47 -12.538 5.905 5.468 1.00 0.00 C ATOM 746 O TYR A 47 -13.576 5.545 5.987 1.00 0.00 O ATOM 747 CB TYR A 47 -11.804 5.161 3.167 1.00 0.00 C ATOM 748 CG TYR A 47 -10.771 4.337 2.417 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.694 3.748 3.098 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.890 4.160 1.033 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.750 2.989 2.397 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.942 3.403 0.338 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.874 2.818 1.020 1.00 0.00 C ATOM 754 OH TYR A 47 -7.942 2.067 0.333 1.00 0.00 O ATOM 0 H TYR A 47 -13.163 3.348 4.648 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.654 4.993 4.979 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.805 4.910 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.652 6.221 2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.594 3.881 4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.716 4.609 0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.924 2.535 2.924 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.036 3.271 -0.730 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.047 2.256 0.684 1.00 0.00 H new ATOM 764 N PRO A 48 -12.080 7.138 5.563 1.00 0.00 N ATOM 765 CA PRO A 48 -10.818 7.615 4.943 1.00 0.00 C ATOM 766 C PRO A 48 -9.598 6.863 5.478 1.00 0.00 C ATOM 767 O PRO A 48 -9.520 6.522 6.642 1.00 0.00 O ATOM 768 CB PRO A 48 -10.728 9.098 5.332 1.00 0.00 C ATOM 769 CG PRO A 48 -11.974 9.442 6.185 1.00 0.00 C ATOM 770 CD PRO A 48 -12.817 8.166 6.318 1.00 0.00 C ATOM 0 HA PRO A 48 -10.825 7.454 3.865 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.815 9.290 5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.691 9.725 4.441 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.675 9.807 7.168 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.553 10.235 5.713 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.935 7.879 7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.818 8.311 5.912 1.00 0.00 H new ATOM 778 N LEU A 49 -8.645 6.602 4.623 1.00 0.00 N ATOM 779 CA LEU A 49 -7.422 5.871 5.054 1.00 0.00 C ATOM 780 C LEU A 49 -6.201 6.769 4.870 1.00 0.00 C ATOM 781 O LEU A 49 -6.171 7.635 4.018 1.00 0.00 O ATOM 782 CB LEU A 49 -7.261 4.614 4.180 1.00 0.00 C ATOM 783 CG LEU A 49 -5.786 4.197 4.071 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.307 3.641 5.414 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.636 3.129 2.985 1.00 0.00 C ATOM 0 H LEU A 49 -8.663 6.867 3.638 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.511 5.589 6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.842 3.796 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.662 4.806 3.185 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.182 5.066 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.261 3.346 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.410 4.407 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.909 2.773 5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.590 2.833 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.241 2.260 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.971 3.532 2.029 1.00 0.00 H new ATOM 797 N VAL A 50 -5.174 6.529 5.631 1.00 0.00 N ATOM 798 CA VAL A 50 -3.936 7.326 5.466 1.00 0.00 C ATOM 799 C VAL A 50 -2.856 6.387 4.920 1.00 0.00 C ATOM 800 O VAL A 50 -2.711 5.271 5.365 1.00 0.00 O ATOM 801 CB VAL A 50 -3.508 7.932 6.823 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.090 7.480 7.216 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.533 9.458 6.720 1.00 0.00 C ATOM 0 H VAL A 50 -5.140 5.815 6.359 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.096 8.154 4.776 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.204 7.586 7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.819 7.923 8.174 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.064 6.393 7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.381 7.803 6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.232 9.892 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.843 9.781 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.541 9.789 6.472 1.00 0.00 H new ATOM 813 N LEU A 51 -2.083 6.833 3.985 1.00 0.00 N ATOM 814 CA LEU A 51 -1.003 5.967 3.453 1.00 0.00 C ATOM 815 C LEU A 51 0.307 6.722 3.589 1.00 0.00 C ATOM 816 O LEU A 51 0.793 7.338 2.659 1.00 0.00 O ATOM 817 CB LEU A 51 -1.239 5.608 1.984 1.00 0.00 C ATOM 818 CG LEU A 51 -0.127 4.656 1.537 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.347 3.291 2.178 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.150 4.484 0.023 1.00 0.00 C ATOM 0 H LEU A 51 -2.149 7.759 3.563 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.982 5.034 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.214 5.137 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.239 6.508 1.369 1.00 0.00 H new ATOM 0 HG LEU A 51 0.832 5.075 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.443 2.609 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.328 3.391 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.314 2.895 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.647 3.804 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.112 4.073 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.001 5.452 -0.455 1.00 0.00 H new ATOM 832 N GLU A 52 0.869 6.690 4.757 1.00 0.00 N ATOM 833 CA GLU A 52 2.137 7.408 4.997 1.00 0.00 C ATOM 834 C GLU A 52 3.290 6.590 4.413 1.00 0.00 C ATOM 835 O GLU A 52 3.995 5.889 5.115 1.00 0.00 O ATOM 836 CB GLU A 52 2.316 7.581 6.506 1.00 0.00 C ATOM 837 CG GLU A 52 3.714 8.128 6.802 1.00 0.00 C ATOM 838 CD GLU A 52 3.642 9.103 7.978 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.776 9.963 7.957 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.453 8.974 8.880 1.00 0.00 O ATOM 0 H GLU A 52 0.497 6.190 5.565 1.00 0.00 H new ATOM 0 HA GLU A 52 2.124 8.388 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.559 8.262 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.175 6.625 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.394 7.309 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.113 8.632 5.922 1.00 0.00 H new ATOM 847 N TRP A 53 3.484 6.683 3.123 1.00 0.00 N ATOM 848 CA TRP A 53 4.590 5.927 2.477 1.00 0.00 C ATOM 849 C TRP A 53 5.914 6.591 2.888 1.00 0.00 C ATOM 850 O TRP A 53 6.202 7.704 2.498 1.00 0.00 O ATOM 851 CB TRP A 53 4.401 5.974 0.954 1.00 0.00 C ATOM 852 CG TRP A 53 4.965 4.735 0.327 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.263 4.369 0.392 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.289 3.699 -0.462 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.435 3.190 -0.303 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.256 2.737 -0.844 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.955 3.494 -0.883 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.925 1.624 -1.609 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.623 2.362 -1.661 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.610 1.436 -2.019 1.00 0.00 C ATOM 0 H TRP A 53 2.921 7.252 2.491 1.00 0.00 H new ATOM 0 HA TRP A 53 4.596 4.883 2.789 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.342 6.063 0.714 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.895 6.855 0.545 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.042 4.912 0.906 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.330 2.712 -0.403 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.188 4.204 -0.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.686 0.909 -1.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.603 2.210 -1.981 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.349 0.574 -2.615 1.00 0.00 H new ATOM 871 N ARG A 54 6.698 5.940 3.713 1.00 0.00 N ATOM 872 CA ARG A 54 7.973 6.566 4.190 1.00 0.00 C ATOM 873 C ARG A 54 9.173 6.119 3.347 1.00 0.00 C ATOM 874 O ARG A 54 10.257 5.947 3.861 1.00 0.00 O ATOM 875 CB ARG A 54 8.211 6.156 5.644 1.00 0.00 C ATOM 876 CG ARG A 54 9.113 7.186 6.326 1.00 0.00 C ATOM 877 CD ARG A 54 8.357 7.839 7.484 1.00 0.00 C ATOM 878 NE ARG A 54 8.969 9.162 7.793 1.00 0.00 N ATOM 879 CZ ARG A 54 8.327 10.026 8.533 1.00 0.00 C ATOM 880 NH1 ARG A 54 7.116 9.763 8.949 1.00 0.00 N ATOM 881 NH2 ARG A 54 8.895 11.154 8.858 1.00 0.00 N ATOM 0 H ARG A 54 6.512 5.005 4.076 1.00 0.00 H new ATOM 0 HA ARG A 54 7.876 7.648 4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.260 6.084 6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.674 5.170 5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.019 6.704 6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.425 7.944 5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.306 7.965 7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.391 7.196 8.363 1.00 0.00 H new ATOM 0 HE ARG A 54 9.892 9.394 7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.670 8.881 8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.617 10.440 9.527 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.840 11.361 8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.394 11.829 9.436 1.00 0.00 H new ATOM 895 N GLN A 55 8.992 5.952 2.067 1.00 0.00 N ATOM 896 CA GLN A 55 10.124 5.529 1.181 1.00 0.00 C ATOM 897 C GLN A 55 9.547 4.972 -0.117 1.00 0.00 C ATOM 898 O GLN A 55 8.761 4.054 -0.100 1.00 0.00 O ATOM 899 CB GLN A 55 10.958 4.430 1.851 1.00 0.00 C ATOM 900 CG GLN A 55 12.428 4.859 1.900 1.00 0.00 C ATOM 901 CD GLN A 55 12.697 5.649 3.182 1.00 0.00 C ATOM 902 OE1 GLN A 55 13.176 5.105 4.156 1.00 0.00 O ATOM 903 NE2 GLN A 55 12.405 6.921 3.222 1.00 0.00 N ATOM 0 H GLN A 55 8.102 6.091 1.588 1.00 0.00 H new ATOM 0 HA GLN A 55 10.761 6.392 0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.589 4.243 2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.859 3.496 1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.073 3.982 1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.667 5.470 1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.003 7.378 2.404 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.579 7.458 4.072 1.00 0.00 H new ATOM 912 N PHE A 56 9.924 5.510 -1.241 1.00 0.00 N ATOM 913 CA PHE A 56 9.372 4.986 -2.521 1.00 0.00 C ATOM 914 C PHE A 56 10.498 4.406 -3.378 1.00 0.00 C ATOM 915 O PHE A 56 10.626 3.206 -3.516 1.00 0.00 O ATOM 916 CB PHE A 56 8.679 6.119 -3.273 1.00 0.00 C ATOM 917 CG PHE A 56 7.515 5.564 -4.053 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.329 5.231 -3.390 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.620 5.379 -5.437 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.248 4.715 -4.109 1.00 0.00 C ATOM 921 CE2 PHE A 56 6.537 4.862 -6.157 1.00 0.00 C ATOM 922 CZ PHE A 56 5.350 4.530 -5.493 1.00 0.00 C ATOM 0 H PHE A 56 10.584 6.283 -1.330 1.00 0.00 H new ATOM 0 HA PHE A 56 8.651 4.197 -2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.332 6.877 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.383 6.607 -3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.249 5.373 -2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.536 5.635 -5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.333 4.459 -3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.617 4.719 -7.225 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.514 4.131 -6.048 1.00 0.00 H new ATOM 932 N GLU A 57 11.317 5.241 -3.956 1.00 0.00 N ATOM 933 CA GLU A 57 12.428 4.718 -4.798 1.00 0.00 C ATOM 934 C GLU A 57 13.225 3.691 -3.993 1.00 0.00 C ATOM 935 O GLU A 57 13.599 2.650 -4.492 1.00 0.00 O ATOM 936 CB GLU A 57 13.349 5.866 -5.207 1.00 0.00 C ATOM 937 CG GLU A 57 12.772 6.572 -6.436 1.00 0.00 C ATOM 938 CD GLU A 57 11.781 7.647 -5.989 1.00 0.00 C ATOM 939 OE1 GLU A 57 11.961 8.178 -4.905 1.00 0.00 O ATOM 940 OE2 GLU A 57 10.857 7.922 -6.737 1.00 0.00 O ATOM 0 H GLU A 57 11.265 6.257 -3.882 1.00 0.00 H new ATOM 0 HA GLU A 57 12.018 4.250 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.453 6.573 -4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.346 5.485 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.575 7.023 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.274 5.850 -7.083 1.00 0.00 H new ATOM 947 N GLN A 58 13.487 3.977 -2.749 1.00 0.00 N ATOM 948 CA GLN A 58 14.253 3.023 -1.912 1.00 0.00 C ATOM 949 C GLN A 58 13.492 1.699 -1.833 1.00 0.00 C ATOM 950 O GLN A 58 14.078 0.635 -1.796 1.00 0.00 O ATOM 951 CB GLN A 58 14.423 3.603 -0.507 1.00 0.00 C ATOM 952 CG GLN A 58 15.316 4.844 -0.573 1.00 0.00 C ATOM 953 CD GLN A 58 16.035 5.027 0.764 1.00 0.00 C ATOM 954 OE1 GLN A 58 15.404 5.161 1.794 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.340 5.040 0.793 1.00 0.00 N ATOM 0 H GLN A 58 13.201 4.835 -2.277 1.00 0.00 H new ATOM 0 HA GLN A 58 15.235 2.852 -2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.451 3.863 -0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.865 2.858 0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.044 4.739 -1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.716 5.725 -0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.870 4.928 -0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 58 17.829 5.163 1.680 1.00 0.00 H new ATOM 964 N SER A 59 12.188 1.757 -1.806 1.00 0.00 N ATOM 965 CA SER A 59 11.386 0.505 -1.730 1.00 0.00 C ATOM 966 C SER A 59 10.675 0.265 -3.064 1.00 0.00 C ATOM 967 O SER A 59 9.729 -0.493 -3.146 1.00 0.00 O ATOM 968 CB SER A 59 10.349 0.629 -0.613 1.00 0.00 C ATOM 969 OG SER A 59 9.730 1.907 -0.688 1.00 0.00 O ATOM 0 H SER A 59 11.644 2.619 -1.833 1.00 0.00 H new ATOM 0 HA SER A 59 12.049 -0.334 -1.519 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.600 -0.157 -0.707 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.826 0.499 0.358 1.00 0.00 H new ATOM 0 HG SER A 59 9.509 2.217 0.215 1.00 0.00 H new ATOM 975 N LYS A 60 11.131 0.893 -4.115 1.00 0.00 N ATOM 976 CA LYS A 60 10.487 0.684 -5.442 1.00 0.00 C ATOM 977 C LYS A 60 11.483 -0.006 -6.385 1.00 0.00 C ATOM 978 O LYS A 60 11.144 -0.934 -7.091 1.00 0.00 O ATOM 979 CB LYS A 60 10.079 2.035 -6.032 1.00 0.00 C ATOM 980 CG LYS A 60 9.476 1.825 -7.422 1.00 0.00 C ATOM 981 CD LYS A 60 10.421 2.395 -8.481 1.00 0.00 C ATOM 982 CE LYS A 60 10.841 1.281 -9.443 1.00 0.00 C ATOM 983 NZ LYS A 60 11.746 1.841 -10.487 1.00 0.00 N ATOM 0 H LYS A 60 11.920 1.540 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 60 9.601 0.060 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.355 2.524 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.946 2.692 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.311 0.763 -7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.504 2.314 -7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.928 3.197 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.300 2.829 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.347 0.485 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.961 0.837 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.032 1.084 -11.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.248 2.585 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.591 2.244 -10.034 1.00 0.00 H new ATOM 997 N GLN A 61 12.709 0.449 -6.403 1.00 0.00 N ATOM 998 CA GLN A 61 13.730 -0.164 -7.297 1.00 0.00 C ATOM 999 C GLN A 61 13.969 -1.623 -6.903 1.00 0.00 C ATOM 1000 O GLN A 61 13.800 -2.522 -7.703 1.00 0.00 O ATOM 1001 CB GLN A 61 15.043 0.614 -7.177 1.00 0.00 C ATOM 1002 CG GLN A 61 14.800 2.083 -7.524 1.00 0.00 C ATOM 1003 CD GLN A 61 16.142 2.808 -7.644 1.00 0.00 C ATOM 1004 OE1 GLN A 61 17.135 2.214 -8.015 1.00 0.00 O ATOM 1005 NE2 GLN A 61 16.215 4.076 -7.343 1.00 0.00 N ATOM 0 H GLN A 61 13.047 1.224 -5.832 1.00 0.00 H new ATOM 0 HA GLN A 61 13.370 -0.127 -8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.437 0.529 -6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.791 0.190 -7.847 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.248 2.160 -8.461 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.188 2.553 -6.754 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.382 4.575 -7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 61 17.105 4.568 -7.419 1.00 0.00 H new ATOM 1014 N LEU A 62 14.369 -1.852 -5.677 1.00 0.00 N ATOM 1015 CA LEU A 62 14.633 -3.251 -5.194 1.00 0.00 C ATOM 1016 C LEU A 62 13.649 -4.202 -5.862 1.00 0.00 C ATOM 1017 O LEU A 62 13.964 -4.850 -6.839 1.00 0.00 O ATOM 1018 CB LEU A 62 14.456 -3.361 -3.666 1.00 0.00 C ATOM 1019 CG LEU A 62 14.089 -2.010 -3.045 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.746 -1.523 -3.593 1.00 0.00 C ATOM 1021 CD2 LEU A 62 13.986 -2.166 -1.526 1.00 0.00 C ATOM 0 H LEU A 62 14.527 -1.124 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 62 15.661 -3.509 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.678 -4.090 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.378 -3.730 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 62 14.861 -1.282 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.497 -0.562 -3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.814 -1.411 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.970 -2.249 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.725 -1.207 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.216 -2.900 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.944 -2.503 -1.129 1.00 0.00 H new ATOM 1033 N THR A 63 12.452 -4.273 -5.355 1.00 0.00 N ATOM 1034 CA THR A 63 11.441 -5.158 -5.975 1.00 0.00 C ATOM 1035 C THR A 63 10.798 -4.416 -7.142 1.00 0.00 C ATOM 1036 O THR A 63 9.671 -3.991 -7.051 1.00 0.00 O ATOM 1037 CB THR A 63 10.372 -5.529 -4.946 1.00 0.00 C ATOM 1038 OG1 THR A 63 9.269 -6.110 -5.620 1.00 0.00 O ATOM 1039 CG2 THR A 63 9.914 -4.276 -4.190 1.00 0.00 C ATOM 0 H THR A 63 12.133 -3.754 -4.537 1.00 0.00 H new ATOM 0 HA THR A 63 11.916 -6.073 -6.330 1.00 0.00 H new ATOM 0 HB THR A 63 10.785 -6.239 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.829 -5.431 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.153 -4.550 -3.459 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.765 -3.829 -3.677 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.498 -3.557 -4.896 1.00 0.00 H new ATOM 1047 N GLU A 64 11.538 -4.254 -8.221 1.00 0.00 N ATOM 1048 CA GLU A 64 11.038 -3.533 -9.442 1.00 0.00 C ATOM 1049 C GLU A 64 9.509 -3.473 -9.467 1.00 0.00 C ATOM 1050 O GLU A 64 8.834 -4.414 -9.101 1.00 0.00 O ATOM 1051 CB GLU A 64 11.529 -4.267 -10.691 1.00 0.00 C ATOM 1052 CG GLU A 64 12.252 -3.282 -11.613 1.00 0.00 C ATOM 1053 CD GLU A 64 12.452 -3.923 -12.987 1.00 0.00 C ATOM 1054 OE1 GLU A 64 12.478 -5.141 -13.053 1.00 0.00 O ATOM 1055 OE2 GLU A 64 12.577 -3.185 -13.951 1.00 0.00 O ATOM 0 H GLU A 64 12.493 -4.602 -8.306 1.00 0.00 H new ATOM 0 HA GLU A 64 11.421 -2.513 -9.419 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.201 -5.077 -10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.687 -4.720 -11.214 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.672 -2.364 -11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.216 -3.007 -11.185 1.00 0.00 H new ATOM 1062 N ASN A 65 8.963 -2.363 -9.890 1.00 0.00 N ATOM 1063 CA ASN A 65 7.481 -2.220 -9.928 1.00 0.00 C ATOM 1064 C ASN A 65 6.903 -2.751 -8.616 1.00 0.00 C ATOM 1065 O ASN A 65 5.769 -3.180 -8.550 1.00 0.00 O ATOM 1066 CB ASN A 65 6.898 -2.993 -11.120 1.00 0.00 C ATOM 1067 CG ASN A 65 7.102 -4.497 -10.928 1.00 0.00 C ATOM 1068 OD1 ASN A 65 8.085 -5.050 -11.380 1.00 0.00 O ATOM 1069 ND2 ASN A 65 6.209 -5.188 -10.274 1.00 0.00 N ATOM 0 H ASN A 65 9.484 -1.547 -10.212 1.00 0.00 H new ATOM 0 HA ASN A 65 7.218 -1.169 -10.047 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.835 -2.773 -11.220 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.379 -2.669 -12.043 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.336 -6.191 -10.143 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.383 -4.725 -9.894 1.00 0.00 H new ATOM 1076 N GLY A 66 7.682 -2.714 -7.567 1.00 0.00 N ATOM 1077 CA GLY A 66 7.193 -3.205 -6.250 1.00 0.00 C ATOM 1078 C GLY A 66 6.215 -2.188 -5.661 1.00 0.00 C ATOM 1079 O GLY A 66 5.041 -2.457 -5.502 1.00 0.00 O ATOM 0 H GLY A 66 8.640 -2.363 -7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.703 -4.171 -6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.032 -3.355 -5.571 1.00 0.00 H new ATOM 1083 N ALA A 67 6.695 -1.022 -5.327 1.00 0.00 N ATOM 1084 CA ALA A 67 5.812 0.013 -4.740 1.00 0.00 C ATOM 1085 C ALA A 67 5.016 0.721 -5.839 1.00 0.00 C ATOM 1086 O ALA A 67 3.811 0.818 -5.773 1.00 0.00 O ATOM 1087 CB ALA A 67 6.665 1.036 -3.991 1.00 0.00 C ATOM 0 H ALA A 67 7.670 -0.744 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 67 5.114 -0.464 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.020 1.800 -3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.220 0.536 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.365 1.503 -4.684 1.00 0.00 H new ATOM 1093 N GLU A 68 5.688 1.228 -6.837 1.00 0.00 N ATOM 1094 CA GLU A 68 4.993 1.950 -7.943 1.00 0.00 C ATOM 1095 C GLU A 68 3.634 1.310 -8.254 1.00 0.00 C ATOM 1096 O GLU A 68 2.718 1.969 -8.704 1.00 0.00 O ATOM 1097 CB GLU A 68 5.870 1.887 -9.192 1.00 0.00 C ATOM 1098 CG GLU A 68 6.254 3.302 -9.607 1.00 0.00 C ATOM 1099 CD GLU A 68 6.375 3.376 -11.130 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.169 2.630 -11.679 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.671 4.178 -11.722 1.00 0.00 O ATOM 0 H GLU A 68 6.702 1.172 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 68 4.824 2.982 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.765 1.298 -8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.335 1.390 -10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.503 4.011 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.199 3.584 -9.143 1.00 0.00 H new ATOM 1108 N SER A 69 3.502 0.031 -8.042 1.00 0.00 N ATOM 1109 CA SER A 69 2.212 -0.651 -8.351 1.00 0.00 C ATOM 1110 C SER A 69 1.187 -0.436 -7.224 1.00 0.00 C ATOM 1111 O SER A 69 0.088 0.042 -7.453 1.00 0.00 O ATOM 1112 CB SER A 69 2.478 -2.145 -8.519 1.00 0.00 C ATOM 1113 OG SER A 69 3.421 -2.338 -9.566 1.00 0.00 O ATOM 0 H SER A 69 4.233 -0.574 -7.667 1.00 0.00 H new ATOM 0 HA SER A 69 1.800 -0.229 -9.268 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.859 -2.565 -7.588 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.550 -2.668 -8.749 1.00 0.00 H new ATOM 0 HG SER A 69 4.240 -2.733 -9.200 1.00 0.00 H new ATOM 1119 N VAL A 70 1.526 -0.787 -6.013 1.00 0.00 N ATOM 1120 CA VAL A 70 0.570 -0.613 -4.891 1.00 0.00 C ATOM 1121 C VAL A 70 0.160 0.848 -4.819 1.00 0.00 C ATOM 1122 O VAL A 70 -1.004 1.175 -4.725 1.00 0.00 O ATOM 1123 CB VAL A 70 1.249 -1.017 -3.586 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.320 -0.714 -2.414 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.562 -2.511 -3.615 1.00 0.00 C ATOM 0 H VAL A 70 2.428 -1.188 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.310 -1.236 -5.049 1.00 0.00 H new ATOM 0 HB VAL A 70 2.176 -0.455 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.805 -1.003 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.098 0.353 -2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.607 -1.276 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.047 -2.799 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.636 -3.074 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.226 -2.727 -4.452 1.00 0.00 H new ATOM 1135 N LEU A 71 1.114 1.728 -4.872 1.00 0.00 N ATOM 1136 CA LEU A 71 0.793 3.175 -4.819 1.00 0.00 C ATOM 1137 C LEU A 71 -0.175 3.508 -5.945 1.00 0.00 C ATOM 1138 O LEU A 71 -1.168 4.158 -5.739 1.00 0.00 O ATOM 1139 CB LEU A 71 2.065 3.987 -5.005 1.00 0.00 C ATOM 1140 CG LEU A 71 1.716 5.473 -5.019 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.419 5.941 -3.595 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.895 6.270 -5.583 1.00 0.00 C ATOM 0 H LEU A 71 2.107 1.506 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 71 0.345 3.414 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.767 3.774 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.556 3.708 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 71 0.838 5.633 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.170 7.002 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.578 5.375 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.297 5.780 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.645 7.331 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.774 6.110 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.106 5.937 -6.599 1.00 0.00 H new ATOM 1154 N GLN A 72 0.107 3.066 -7.138 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.813 3.362 -8.269 1.00 0.00 C ATOM 1156 C GLN A 72 -2.212 2.880 -7.895 1.00 0.00 C ATOM 1157 O GLN A 72 -3.204 3.474 -8.260 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.337 2.630 -9.523 1.00 0.00 C ATOM 1159 CG GLN A 72 -0.030 3.643 -10.627 1.00 0.00 C ATOM 1160 CD GLN A 72 0.213 2.908 -11.949 1.00 0.00 C ATOM 1161 OE1 GLN A 72 0.386 1.613 -11.948 1.00 0.00 O flip ATOM 1162 NE2 GLN A 72 0.245 3.521 -12.998 1.00 0.00 N flip ATOM 0 H GLN A 72 0.931 2.515 -7.378 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.827 4.434 -8.468 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.553 2.043 -9.297 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.102 1.931 -9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.861 4.341 -10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.848 4.231 -10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.110 4.532 -13.002 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.407 3.024 -13.874 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.290 1.802 -7.169 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.613 1.269 -6.757 1.00 0.00 C ATOM 1173 C VAL A 73 -4.193 2.143 -5.635 1.00 0.00 C ATOM 1174 O VAL A 73 -5.389 2.254 -5.482 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.434 -0.168 -6.257 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.660 -0.616 -5.453 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.224 -1.102 -7.456 1.00 0.00 C ATOM 0 H VAL A 73 -1.487 1.264 -6.842 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.298 1.280 -7.604 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.562 -0.209 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.514 -1.639 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.793 0.042 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.546 -0.570 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.096 -2.125 -7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.092 -1.051 -8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.334 -0.794 -8.005 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.356 2.752 -4.840 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.872 3.605 -3.726 1.00 0.00 C ATOM 1189 C PHE A 74 -4.348 4.955 -4.280 1.00 0.00 C ATOM 1190 O PHE A 74 -5.320 5.520 -3.818 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.759 3.831 -2.698 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.810 2.742 -1.655 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.690 2.850 -0.572 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.978 1.624 -1.772 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.738 1.839 0.394 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -2.025 0.612 -0.805 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.905 0.720 0.278 1.00 0.00 C ATOM 0 H PHE A 74 -2.340 2.698 -4.911 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.712 3.102 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.787 3.831 -3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.877 4.807 -2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.332 3.714 -0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.299 1.541 -2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.418 1.922 1.229 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.382 -0.251 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.941 -0.060 1.024 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.678 5.465 -5.274 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.080 6.758 -5.877 1.00 0.00 C ATOM 1209 C ARG A 75 -5.250 6.498 -6.807 1.00 0.00 C ATOM 1210 O ARG A 75 -6.162 7.286 -6.919 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.923 7.318 -6.693 1.00 0.00 C ATOM 1212 CG ARG A 75 -1.871 7.922 -5.762 1.00 0.00 C ATOM 1213 CD ARG A 75 -0.561 8.116 -6.534 1.00 0.00 C ATOM 1214 NE ARG A 75 0.103 9.383 -6.104 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.609 10.444 -5.835 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.626 10.756 -6.591 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -0.305 11.191 -4.810 1.00 0.00 N ATOM 0 H ARG A 75 -2.858 5.032 -5.698 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.353 7.469 -5.097 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.476 6.527 -7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.289 8.078 -7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.221 8.877 -5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.708 7.268 -4.906 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.103 7.270 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.762 8.146 -7.605 1.00 0.00 H new ATOM 0 HE ARG A 75 1.119 9.420 -6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.865 10.171 -7.392 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.182 11.585 -6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.489 10.946 -4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.861 12.020 -4.600 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.221 5.374 -7.461 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.323 4.996 -8.378 1.00 0.00 C ATOM 1233 C GLU A 76 -7.570 4.812 -7.526 1.00 0.00 C ATOM 1234 O GLU A 76 -8.624 5.338 -7.816 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.963 3.675 -9.047 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.268 3.924 -10.385 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.289 4.422 -11.409 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.246 3.708 -11.659 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.097 5.510 -11.927 1.00 0.00 O ATOM 0 H GLU A 76 -4.466 4.691 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.488 5.754 -9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.310 3.096 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.864 3.082 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.473 4.659 -10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.800 3.006 -10.740 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.434 4.087 -6.447 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.578 3.888 -5.535 1.00 0.00 C ATOM 1248 C ALA A 77 -8.961 5.263 -5.009 1.00 0.00 C ATOM 1249 O ALA A 77 -10.121 5.594 -4.869 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.175 2.978 -4.373 1.00 0.00 C ATOM 0 H ALA A 77 -6.570 3.625 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.413 3.417 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.027 2.839 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.856 2.011 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.354 3.435 -3.821 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.979 6.091 -4.761 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.277 7.468 -4.299 1.00 0.00 C ATOM 1258 C LYS A 78 -9.103 8.125 -5.392 1.00 0.00 C ATOM 1259 O LYS A 78 -9.957 8.956 -5.154 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.969 8.233 -4.147 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.023 9.116 -2.899 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.695 10.561 -3.283 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.705 11.439 -2.031 1.00 0.00 C ATOM 1264 NZ LYS A 78 -5.307 11.819 -1.679 1.00 0.00 N ATOM 0 H LYS A 78 -6.988 5.869 -4.860 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.806 7.462 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.136 7.534 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.792 8.847 -5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.013 9.064 -2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.313 8.756 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.718 10.607 -3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.424 10.931 -4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.303 12.333 -2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.167 10.903 -1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.313 12.416 -0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.750 10.960 -1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.881 12.346 -2.468 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.830 7.730 -6.600 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.546 8.269 -7.771 1.00 0.00 C ATOM 1280 C ALA A 79 -10.956 7.683 -7.800 1.00 0.00 C ATOM 1281 O ALA A 79 -11.893 8.294 -8.275 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.783 7.846 -9.024 1.00 0.00 C ATOM 0 H ALA A 79 -8.118 7.035 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.612 9.356 -7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.292 8.232 -9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.770 8.246 -8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.742 6.758 -9.075 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.101 6.494 -7.289 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.425 5.830 -7.265 1.00 0.00 C ATOM 1290 C GLU A 80 -13.391 6.628 -6.385 1.00 0.00 C ATOM 1291 O GLU A 80 -14.577 6.366 -6.352 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.255 4.422 -6.692 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.876 3.459 -7.816 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.141 2.989 -8.537 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.882 3.837 -9.005 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.346 1.788 -8.609 1.00 0.00 O ATOM 0 H GLU A 80 -10.342 5.948 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.830 5.777 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.483 4.421 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.180 4.097 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.206 3.952 -8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.338 2.603 -7.409 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.890 7.594 -5.664 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.775 8.399 -4.777 1.00 0.00 C ATOM 1305 C GLY A 81 -13.418 8.106 -3.320 1.00 0.00 C ATOM 1306 O GLY A 81 -13.887 8.760 -2.409 1.00 0.00 O ATOM 0 H GLY A 81 -11.905 7.860 -5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.654 9.461 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.820 8.154 -4.965 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.586 7.125 -3.095 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.190 6.780 -1.705 1.00 0.00 C ATOM 1312 C CYS A 82 -11.441 7.958 -1.079 1.00 0.00 C ATOM 1313 O CYS A 82 -10.984 8.850 -1.766 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.274 5.559 -1.740 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.270 4.056 -1.892 1.00 0.00 S ATOM 0 H CYS A 82 -12.163 6.546 -3.820 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.078 6.561 -1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.582 5.635 -2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.672 5.518 -0.833 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.912 3.204 -0.978 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.312 7.969 0.219 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.595 9.088 0.884 1.00 0.00 C ATOM 1323 C ASP A 83 -9.261 8.582 1.445 1.00 0.00 C ATOM 1324 O ASP A 83 -9.010 8.639 2.632 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.463 9.633 2.016 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.987 11.035 2.400 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -10.295 11.644 1.601 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.324 11.478 3.486 1.00 0.00 O ATOM 0 H ASP A 83 -11.673 7.250 0.846 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.398 9.881 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.507 9.665 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.409 8.971 2.880 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.403 8.093 0.590 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.076 7.586 1.049 1.00 0.00 C ATOM 1335 C ILE A 84 -6.073 8.745 1.025 1.00 0.00 C ATOM 1336 O ILE A 84 -6.242 9.702 0.296 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.609 6.491 0.089 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.400 5.217 0.345 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.120 6.209 0.289 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.914 4.694 -0.991 1.00 0.00 C ATOM 0 H ILE A 84 -8.565 8.022 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.151 7.183 2.059 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.773 6.829 -0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.770 4.470 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.232 5.416 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.802 5.428 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.549 7.117 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.946 5.881 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.485 3.780 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.555 5.445 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.070 4.483 -1.648 1.00 0.00 H new ATOM 1352 N THR A 85 -5.032 8.675 1.809 1.00 0.00 N ATOM 1353 CA THR A 85 -4.033 9.785 1.813 1.00 0.00 C ATOM 1354 C THR A 85 -2.703 9.288 1.239 1.00 0.00 C ATOM 1355 O THR A 85 -1.940 8.622 1.901 1.00 0.00 O ATOM 1356 CB THR A 85 -3.816 10.272 3.248 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.074 10.546 3.849 1.00 0.00 O ATOM 1358 CG2 THR A 85 -2.966 11.543 3.234 1.00 0.00 C ATOM 0 H THR A 85 -4.829 7.903 2.444 1.00 0.00 H new ATOM 0 HA THR A 85 -4.406 10.605 1.200 1.00 0.00 H new ATOM 0 HB THR A 85 -3.301 9.500 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.525 9.703 4.063 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.812 11.889 4.256 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.001 11.330 2.774 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.478 12.317 2.662 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.409 9.606 0.013 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.122 9.140 -0.573 1.00 0.00 C ATOM 1368 C ILE A 86 0.015 10.045 -0.097 1.00 0.00 C ATOM 1369 O ILE A 86 0.417 10.965 -0.780 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.212 9.180 -2.096 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.541 8.562 -2.532 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.055 8.379 -2.698 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.603 7.106 -2.067 1.00 0.00 C ATOM 0 H ILE A 86 -2.997 10.164 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.925 8.118 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.153 10.212 -2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.373 9.126 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.640 8.613 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.120 8.408 -3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.893 8.813 -2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.113 7.345 -2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.550 6.665 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.779 6.547 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.524 7.067 -0.981 1.00 0.00 H new ATOM 1385 N ILE A 87 0.540 9.786 1.071 1.00 0.00 N ATOM 1386 CA ILE A 87 1.654 10.629 1.587 1.00 0.00 C ATOM 1387 C ILE A 87 2.983 10.041 1.103 1.00 0.00 C ATOM 1388 O ILE A 87 3.410 8.992 1.548 1.00 0.00 O ATOM 1389 CB ILE A 87 1.606 10.654 3.121 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.584 11.699 3.575 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.982 11.018 3.689 1.00 0.00 C ATOM 1392 CD1 ILE A 87 0.084 11.350 4.977 1.00 0.00 C ATOM 0 H ILE A 87 0.246 9.029 1.688 1.00 0.00 H new ATOM 0 HA ILE A 87 1.557 11.650 1.218 1.00 0.00 H new ATOM 0 HB ILE A 87 1.320 9.667 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.038 12.690 3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.253 11.732 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.934 11.032 4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.715 10.278 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.277 12.003 3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.644 12.095 5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.386 10.367 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.924 11.340 5.671 1.00 0.00 H new ATOM 1404 N LEU A 88 3.631 10.710 0.189 1.00 0.00 N ATOM 1405 CA LEU A 88 4.926 10.199 -0.338 1.00 0.00 C ATOM 1406 C LEU A 88 6.084 10.848 0.421 1.00 0.00 C ATOM 1407 O LEU A 88 6.249 12.051 0.410 1.00 0.00 O ATOM 1408 CB LEU A 88 5.029 10.537 -1.824 1.00 0.00 C ATOM 1409 CG LEU A 88 3.751 10.105 -2.561 1.00 0.00 C ATOM 1410 CD1 LEU A 88 4.120 9.668 -3.972 1.00 0.00 C ATOM 1411 CD2 LEU A 88 3.074 8.926 -1.845 1.00 0.00 C ATOM 0 H LEU A 88 3.317 11.592 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 88 4.975 9.118 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.185 11.608 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.894 10.036 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 88 3.061 10.948 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.220 9.359 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.587 10.500 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.818 8.832 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.172 8.640 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.760 8.079 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.809 9.221 -0.830 1.00 0.00 H new ATOM 1423 N SER A 89 6.889 10.061 1.082 1.00 0.00 N ATOM 1424 CA SER A 89 8.035 10.635 1.842 1.00 0.00 C ATOM 1425 C SER A 89 9.209 9.655 1.810 1.00 0.00 C ATOM 1426 O SER A 89 9.109 8.620 2.449 1.00 0.00 O ATOM 1427 CB SER A 89 7.614 10.879 3.291 1.00 0.00 C ATOM 1428 OG SER A 89 7.386 12.269 3.486 1.00 0.00 O ATOM 1429 OXT SER A 89 10.189 9.955 1.148 1.00 0.00 O ATOM 0 H SER A 89 6.802 9.046 1.128 1.00 0.00 H new ATOM 0 HA SER A 89 8.337 11.579 1.388 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.710 10.315 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.389 10.527 3.971 1.00 0.00 H new ATOM 0 HG SER A 89 7.114 12.429 4.414 1.00 0.00 H new TER 1435 SER A 89