USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=13 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 3 THR OG1 : rot 180:sc= 0.142 USER MOD Set 1.2: A 77 THR OG1 : rot -66:sc= -0.196 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 130:sc= -1.4 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.013) USER MOD Single : A 36 THR OG1 : rot -85:sc= 0.0526 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -2 K(o=-2,f=-4.9!) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.122 USER MOD Single : A 60 HIS : no HE2:sc= -5.61 K(o=-5.6,f=-8.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.92 K(o=-1.9,f=-7.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.339 K(o=-0.34,f=-2!) USER MOD Single : A 76 ASN : amide:sc=-0.00375 X(o=-0.0038,f=-0.16) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 2.708 -6.431 12.241 1.00 0.00 N ATOM 21 CA LEU A 2 3.385 -7.042 11.103 1.00 0.00 C ATOM 22 C LEU A 2 4.521 -6.153 10.606 1.00 0.00 C ATOM 23 O LEU A 2 4.342 -4.951 10.413 1.00 0.00 O ATOM 24 CB LEU A 2 2.392 -7.303 9.968 1.00 0.00 C ATOM 25 CG LEU A 2 1.342 -6.210 9.757 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.941 -6.129 8.294 1.00 0.00 C ATOM 27 CD2 LEU A 2 0.124 -6.468 10.633 1.00 0.00 C ATOM 0 HA LEU A 2 3.806 -7.992 11.431 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.950 -7.432 9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.879 -8.244 10.165 1.00 0.00 H new ATOM 0 HG LEU A 2 1.777 -5.253 10.045 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.194 -5.346 8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.818 -5.898 7.689 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.524 -7.085 7.978 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.614 -5.682 10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.312 -7.433 10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.424 -6.474 11.681 1.00 0.00 H new ATOM 39 N THR A 3 5.689 -6.754 10.403 1.00 0.00 N ATOM 40 CA THR A 3 6.855 -6.015 9.929 1.00 0.00 C ATOM 41 C THR A 3 6.565 -5.330 8.599 1.00 0.00 C ATOM 42 O THR A 3 5.449 -5.397 8.084 1.00 0.00 O ATOM 43 CB THR A 3 8.056 -6.953 9.778 1.00 0.00 C ATOM 44 OG1 THR A 3 7.827 -8.177 10.454 1.00 0.00 O ATOM 45 CG2 THR A 3 9.345 -6.367 10.314 1.00 0.00 C ATOM 0 H THR A 3 5.854 -7.748 10.559 1.00 0.00 H new ATOM 0 HA THR A 3 7.089 -5.249 10.669 1.00 0.00 H new ATOM 0 HB THR A 3 8.165 -7.110 8.705 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.605 -8.762 10.344 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.155 -7.083 10.176 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.578 -5.447 9.777 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.231 -6.148 11.376 1.00 0.00 H new ATOM 53 N ILE A 4 7.578 -4.670 8.048 1.00 0.00 N ATOM 54 CA ILE A 4 7.436 -3.974 6.779 1.00 0.00 C ATOM 55 C ILE A 4 8.580 -4.321 5.833 1.00 0.00 C ATOM 56 O ILE A 4 9.752 -4.262 6.209 1.00 0.00 O ATOM 57 CB ILE A 4 7.397 -2.447 6.981 1.00 0.00 C ATOM 58 CG1 ILE A 4 6.363 -2.077 8.046 1.00 0.00 C ATOM 59 CG2 ILE A 4 7.088 -1.750 5.667 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.958 -1.876 9.422 1.00 0.00 C ATOM 0 H ILE A 4 8.507 -4.604 8.463 1.00 0.00 H new ATOM 0 HA ILE A 4 6.493 -4.300 6.340 1.00 0.00 H new ATOM 0 HB ILE A 4 8.376 -2.114 7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.852 -1.163 7.743 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.608 -2.862 8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.063 -0.672 5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.859 -1.993 4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.119 -2.085 5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.167 -1.616 10.126 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.444 -2.796 9.746 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.692 -1.071 9.387 1.00 0.00 H new ATOM 72 N GLU A 5 8.234 -4.686 4.603 1.00 0.00 N ATOM 73 CA GLU A 5 9.233 -5.042 3.601 1.00 0.00 C ATOM 74 C GLU A 5 9.114 -4.144 2.375 1.00 0.00 C ATOM 75 O GLU A 5 8.119 -3.440 2.202 1.00 0.00 O ATOM 76 CB GLU A 5 9.076 -6.510 3.196 1.00 0.00 C ATOM 77 CG GLU A 5 10.090 -7.433 3.851 1.00 0.00 C ATOM 78 CD GLU A 5 11.383 -7.529 3.065 1.00 0.00 C ATOM 79 OE1 GLU A 5 12.047 -6.488 2.883 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.732 -8.647 2.630 1.00 0.00 O ATOM 0 H GLU A 5 7.270 -4.743 4.276 1.00 0.00 H new ATOM 0 HA GLU A 5 10.221 -4.898 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.072 -6.845 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.169 -6.592 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.306 -7.074 4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.657 -8.428 3.954 1.00 0.00 H new ATOM 87 N THR A 6 10.136 -4.172 1.526 1.00 0.00 N ATOM 88 CA THR A 6 10.146 -3.358 0.315 1.00 0.00 C ATOM 89 C THR A 6 10.431 -4.212 -0.916 1.00 0.00 C ATOM 90 O THR A 6 10.964 -5.315 -0.808 1.00 0.00 O ATOM 91 CB THR A 6 11.188 -2.247 0.431 1.00 0.00 C ATOM 92 OG1 THR A 6 12.498 -2.788 0.444 1.00 0.00 O ATOM 93 CG2 THR A 6 11.028 -1.402 1.676 1.00 0.00 C ATOM 0 H THR A 6 10.967 -4.749 1.654 1.00 0.00 H new ATOM 0 HA THR A 6 9.158 -2.911 0.202 1.00 0.00 H new ATOM 0 HB THR A 6 11.031 -1.612 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.151 -2.061 0.517 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.800 -0.633 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.045 -0.930 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.123 -2.034 2.559 1.00 0.00 H new ATOM 101 N SER A 7 10.070 -3.691 -2.084 1.00 0.00 N ATOM 102 CA SER A 7 10.287 -4.404 -3.339 1.00 0.00 C ATOM 103 C SER A 7 11.239 -3.631 -4.247 1.00 0.00 C ATOM 104 O SER A 7 11.766 -2.586 -3.864 1.00 0.00 O ATOM 105 CB SER A 7 8.955 -4.632 -4.056 1.00 0.00 C ATOM 106 OG SER A 7 8.028 -3.605 -3.750 1.00 0.00 O ATOM 0 H SER A 7 9.626 -2.779 -2.188 1.00 0.00 H new ATOM 0 HA SER A 7 10.738 -5.369 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.120 -4.668 -5.133 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.542 -5.598 -3.764 1.00 0.00 H new ATOM 0 HG SER A 7 7.644 -3.253 -4.580 1.00 0.00 H new ATOM 112 N LYS A 8 11.452 -4.150 -5.451 1.00 0.00 N ATOM 113 CA LYS A 8 12.339 -3.507 -6.413 1.00 0.00 C ATOM 114 C LYS A 8 11.659 -2.304 -7.059 1.00 0.00 C ATOM 115 O LYS A 8 12.243 -1.225 -7.154 1.00 0.00 O ATOM 116 CB LYS A 8 12.769 -4.505 -7.490 1.00 0.00 C ATOM 117 CG LYS A 8 11.611 -5.058 -8.306 1.00 0.00 C ATOM 118 CD LYS A 8 12.064 -6.182 -9.222 1.00 0.00 C ATOM 119 CE LYS A 8 12.530 -7.393 -8.431 1.00 0.00 C ATOM 120 NZ LYS A 8 12.209 -8.671 -9.126 1.00 0.00 N ATOM 0 H LYS A 8 11.023 -5.013 -5.784 1.00 0.00 H new ATOM 0 HA LYS A 8 13.223 -3.159 -5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.476 -4.019 -8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.297 -5.333 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.834 -5.424 -7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.168 -4.259 -8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.244 -6.470 -9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.875 -5.829 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.606 -7.328 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.059 -7.387 -7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.544 -9.472 -8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.180 -8.746 -9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.679 -8.689 -10.054 1.00 0.00 H new ATOM 134 N LYS A 9 10.420 -2.497 -7.498 1.00 0.00 N ATOM 135 CA LYS A 9 9.658 -1.427 -8.132 1.00 0.00 C ATOM 136 C LYS A 9 9.315 -0.336 -7.123 1.00 0.00 C ATOM 137 O LYS A 9 9.211 0.840 -7.476 1.00 0.00 O ATOM 138 CB LYS A 9 8.375 -1.985 -8.754 1.00 0.00 C ATOM 139 CG LYS A 9 8.627 -2.998 -9.858 1.00 0.00 C ATOM 140 CD LYS A 9 7.678 -4.183 -9.756 1.00 0.00 C ATOM 141 CE LYS A 9 6.451 -3.988 -10.630 1.00 0.00 C ATOM 142 NZ LYS A 9 5.827 -5.286 -11.010 1.00 0.00 N ATOM 0 H LYS A 9 9.922 -3.384 -7.427 1.00 0.00 H new ATOM 0 HA LYS A 9 10.274 -0.991 -8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.776 -2.453 -7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.787 -1.160 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.507 -2.517 -10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.657 -3.350 -9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.198 -5.094 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.370 -4.316 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.721 -3.376 -10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.730 -3.442 -11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.993 -5.109 -11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.515 -5.860 -11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.537 -5.796 -10.151 1.00 0.00 H new ATOM 156 N PHE A 10 9.140 -0.731 -5.866 1.00 0.00 N ATOM 157 CA PHE A 10 8.811 0.213 -4.805 1.00 0.00 C ATOM 158 C PHE A 10 9.897 1.274 -4.666 1.00 0.00 C ATOM 159 O PHE A 10 9.606 2.450 -4.442 1.00 0.00 O ATOM 160 CB PHE A 10 8.628 -0.528 -3.477 1.00 0.00 C ATOM 161 CG PHE A 10 8.293 0.376 -2.324 1.00 0.00 C ATOM 162 CD1 PHE A 10 7.123 1.116 -2.325 1.00 0.00 C ATOM 163 CD2 PHE A 10 9.150 0.482 -1.241 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.812 1.947 -1.266 1.00 0.00 C ATOM 165 CE2 PHE A 10 8.845 1.311 -0.178 1.00 0.00 C ATOM 166 CZ PHE A 10 7.674 2.045 -0.190 1.00 0.00 C ATOM 0 H PHE A 10 9.221 -1.700 -5.557 1.00 0.00 H new ATOM 0 HA PHE A 10 7.877 0.710 -5.068 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.836 -1.268 -3.590 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.543 -1.074 -3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.446 1.043 -3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.066 -0.089 -1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.896 2.519 -1.279 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.521 1.385 0.661 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.433 2.694 0.639 1.00 0.00 H new ATOM 176 N ASP A 11 11.151 0.853 -4.798 1.00 0.00 N ATOM 177 CA ASP A 11 12.280 1.767 -4.687 1.00 0.00 C ATOM 178 C ASP A 11 12.263 2.794 -5.815 1.00 0.00 C ATOM 179 O ASP A 11 12.653 3.946 -5.628 1.00 0.00 O ATOM 180 CB ASP A 11 13.597 0.989 -4.711 1.00 0.00 C ATOM 181 CG ASP A 11 14.134 0.718 -3.319 1.00 0.00 C ATOM 182 OD1 ASP A 11 14.666 1.660 -2.695 1.00 0.00 O ATOM 183 OD2 ASP A 11 14.022 -0.436 -2.853 1.00 0.00 O ATOM 0 H ASP A 11 11.410 -0.116 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 11 12.195 2.296 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.447 0.042 -5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.338 1.551 -5.280 1.00 0.00 H new ATOM 188 N LYS A 12 11.809 2.366 -6.989 1.00 0.00 N ATOM 189 CA LYS A 12 11.740 3.246 -8.149 1.00 0.00 C ATOM 190 C LYS A 12 10.525 4.168 -8.070 1.00 0.00 C ATOM 191 O LYS A 12 10.515 5.246 -8.664 1.00 0.00 O ATOM 192 CB LYS A 12 11.684 2.422 -9.437 1.00 0.00 C ATOM 193 CG LYS A 12 12.824 1.425 -9.570 1.00 0.00 C ATOM 194 CD LYS A 12 12.377 0.161 -10.286 1.00 0.00 C ATOM 195 CE LYS A 12 13.472 -0.384 -11.189 1.00 0.00 C ATOM 196 NZ LYS A 12 13.328 0.100 -12.590 1.00 0.00 N ATOM 0 H LYS A 12 11.484 1.415 -7.161 1.00 0.00 H new ATOM 0 HA LYS A 12 12.639 3.863 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.736 1.885 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.701 3.098 -10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.647 1.883 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.203 1.169 -8.580 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.099 -0.595 -9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.487 0.372 -10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.445 -0.086 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.444 -1.474 -11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.093 -0.294 -13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.410 -0.206 -12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.380 1.139 -12.606 1.00 0.00 H new ATOM 210 N ASP A 13 9.504 3.737 -7.336 1.00 0.00 N ATOM 211 CA ASP A 13 8.286 4.526 -7.184 1.00 0.00 C ATOM 212 C ASP A 13 8.404 5.499 -6.015 1.00 0.00 C ATOM 213 O ASP A 13 7.782 6.561 -6.016 1.00 0.00 O ATOM 214 CB ASP A 13 7.083 3.603 -6.977 1.00 0.00 C ATOM 215 CG ASP A 13 6.314 3.360 -8.260 1.00 0.00 C ATOM 216 OD1 ASP A 13 6.363 4.229 -9.156 1.00 0.00 O ATOM 217 OD2 ASP A 13 5.664 2.300 -8.371 1.00 0.00 O ATOM 0 H ASP A 13 9.495 2.847 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 13 8.142 5.105 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.425 2.649 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.416 4.041 -6.234 1.00 0.00 H new ATOM 222 N LEU A 14 9.204 5.131 -5.020 1.00 0.00 N ATOM 223 CA LEU A 14 9.398 5.972 -3.845 1.00 0.00 C ATOM 224 C LEU A 14 10.403 7.088 -4.126 1.00 0.00 C ATOM 225 O LEU A 14 10.340 8.157 -3.520 1.00 0.00 O ATOM 226 CB LEU A 14 9.875 5.125 -2.660 1.00 0.00 C ATOM 227 CG LEU A 14 9.161 5.402 -1.337 1.00 0.00 C ATOM 228 CD1 LEU A 14 9.315 6.863 -0.942 1.00 0.00 C ATOM 229 CD2 LEU A 14 7.690 5.027 -1.438 1.00 0.00 C ATOM 0 H LEU A 14 9.728 4.256 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 14 8.440 6.429 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.747 4.072 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.943 5.292 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 14 9.620 4.788 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.800 7.041 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.373 7.100 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.882 7.497 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.197 5.230 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.218 5.615 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.600 3.967 -1.674 1.00 0.00 H new ATOM 241 N LYS A 15 11.330 6.829 -5.043 1.00 0.00 N ATOM 242 CA LYS A 15 12.347 7.812 -5.399 1.00 0.00 C ATOM 243 C LYS A 15 11.743 8.975 -6.181 1.00 0.00 C ATOM 244 O LYS A 15 12.248 10.096 -6.131 1.00 0.00 O ATOM 245 CB LYS A 15 13.456 7.152 -6.221 1.00 0.00 C ATOM 246 CG LYS A 15 12.978 6.592 -7.550 1.00 0.00 C ATOM 247 CD LYS A 15 14.142 6.300 -8.483 1.00 0.00 C ATOM 248 CE LYS A 15 13.664 5.991 -9.893 1.00 0.00 C ATOM 249 NZ LYS A 15 14.457 4.899 -10.522 1.00 0.00 N ATOM 0 H LYS A 15 11.398 5.948 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 15 12.770 8.206 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.243 7.883 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.900 6.347 -5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.410 5.678 -7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.301 7.303 -8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.815 7.157 -8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.714 5.456 -8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.612 5.706 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.735 6.890 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.100 4.719 -11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.457 5.181 -10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.369 4.034 -9.952 1.00 0.00 H new ATOM 263 N ILE A 16 10.663 8.702 -6.905 1.00 0.00 N ATOM 264 CA ILE A 16 9.996 9.729 -7.697 1.00 0.00 C ATOM 265 C ILE A 16 9.035 10.551 -6.843 1.00 0.00 C ATOM 266 O ILE A 16 9.010 11.780 -6.930 1.00 0.00 O ATOM 267 CB ILE A 16 9.217 9.111 -8.877 1.00 0.00 C ATOM 268 CG1 ILE A 16 10.125 8.178 -9.680 1.00 0.00 C ATOM 269 CG2 ILE A 16 8.646 10.204 -9.770 1.00 0.00 C ATOM 270 CD1 ILE A 16 11.262 8.893 -10.379 1.00 0.00 C ATOM 0 H ILE A 16 10.231 7.780 -6.960 1.00 0.00 H new ATOM 0 HA ILE A 16 10.777 10.382 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 16 8.387 8.528 -8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.538 7.423 -9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.526 7.652 -10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.100 9.750 -10.597 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.970 10.832 -9.190 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.459 10.814 -10.164 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.864 8.169 -10.928 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.857 9.629 -11.073 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.885 9.396 -9.639 1.00 0.00 H new ATOM 282 N LEU A 17 8.248 9.869 -6.020 1.00 0.00 N ATOM 283 CA LEU A 17 7.284 10.539 -5.153 1.00 0.00 C ATOM 284 C LEU A 17 7.989 11.447 -4.150 1.00 0.00 C ATOM 285 O LEU A 17 7.529 12.552 -3.869 1.00 0.00 O ATOM 286 CB LEU A 17 6.424 9.509 -4.417 1.00 0.00 C ATOM 287 CG LEU A 17 5.009 9.334 -4.972 1.00 0.00 C ATOM 288 CD1 LEU A 17 4.219 8.356 -4.118 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.298 10.676 -5.045 1.00 0.00 C ATOM 0 H LEU A 17 8.258 8.853 -5.934 1.00 0.00 H new ATOM 0 HA LEU A 17 6.639 11.156 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.932 8.545 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.354 9.799 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 17 5.081 8.927 -5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.215 8.244 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.720 7.388 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.154 8.734 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.293 10.534 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.236 11.110 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.855 11.348 -5.699 1.00 0.00 H new ATOM 301 N VAL A 18 9.108 10.971 -3.612 1.00 0.00 N ATOM 302 CA VAL A 18 9.874 11.744 -2.640 1.00 0.00 C ATOM 303 C VAL A 18 10.432 13.018 -3.268 1.00 0.00 C ATOM 304 O VAL A 18 10.614 14.028 -2.588 1.00 0.00 O ATOM 305 CB VAL A 18 11.033 10.917 -2.050 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.011 10.510 -3.141 1.00 0.00 C ATOM 307 CG2 VAL A 18 11.742 11.695 -0.951 1.00 0.00 C ATOM 0 H VAL A 18 9.503 10.057 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 18 9.188 12.012 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 18 10.618 10.010 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.822 9.927 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.493 9.908 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.420 11.403 -3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.557 11.094 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.143 12.621 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.034 11.928 -0.155 1.00 0.00 H new ATOM 317 N LYS A 19 10.703 12.962 -4.567 1.00 0.00 N ATOM 318 CA LYS A 19 11.241 14.112 -5.286 1.00 0.00 C ATOM 319 C LYS A 19 10.145 15.133 -5.578 1.00 0.00 C ATOM 320 O LYS A 19 10.377 16.341 -5.519 1.00 0.00 O ATOM 321 CB LYS A 19 11.895 13.662 -6.593 1.00 0.00 C ATOM 322 CG LYS A 19 13.091 14.508 -6.997 1.00 0.00 C ATOM 323 CD LYS A 19 13.993 13.767 -7.972 1.00 0.00 C ATOM 324 CE LYS A 19 15.282 14.531 -8.229 1.00 0.00 C ATOM 325 NZ LYS A 19 16.393 13.625 -8.633 1.00 0.00 N ATOM 0 H LYS A 19 10.559 12.133 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 19 11.994 14.584 -4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.212 12.624 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.153 13.693 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.745 15.436 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.661 14.782 -6.109 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.227 12.780 -7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.465 13.614 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.115 15.272 -9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.567 15.076 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.254 14.184 -8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.570 12.934 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.132 13.124 -9.506 1.00 0.00 H new ATOM 339 N ASN A 20 8.952 14.640 -5.892 1.00 0.00 N ATOM 340 CA ASN A 20 7.821 15.511 -6.193 1.00 0.00 C ATOM 341 C ASN A 20 7.149 15.994 -4.910 1.00 0.00 C ATOM 342 O ASN A 20 6.902 17.187 -4.740 1.00 0.00 O ATOM 343 CB ASN A 20 6.805 14.774 -7.070 1.00 0.00 C ATOM 344 CG ASN A 20 6.912 15.166 -8.531 1.00 0.00 C ATOM 345 OD1 ASN A 20 5.935 15.597 -9.143 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.103 15.017 -9.098 1.00 0.00 N ATOM 0 H ASN A 20 8.743 13.643 -5.945 1.00 0.00 H new ATOM 0 HA ASN A 20 8.196 16.380 -6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.957 13.699 -6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.798 14.987 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.235 15.264 -10.079 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.886 14.656 -8.553 1.00 0.00 H new ATOM 353 N GLY A 21 6.858 15.059 -4.013 1.00 0.00 N ATOM 354 CA GLY A 21 6.219 15.409 -2.758 1.00 0.00 C ATOM 355 C GLY A 21 5.760 14.190 -1.981 1.00 0.00 C ATOM 356 O GLY A 21 4.628 13.734 -2.142 1.00 0.00 O ATOM 0 H GLY A 21 7.053 14.065 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.915 15.984 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.362 16.053 -2.957 1.00 0.00 H new ATOM 360 N PHE A 22 6.640 13.662 -1.137 1.00 0.00 N ATOM 361 CA PHE A 22 6.319 12.488 -0.333 1.00 0.00 C ATOM 362 C PHE A 22 7.447 12.175 0.646 1.00 0.00 C ATOM 363 O PHE A 22 8.611 12.481 0.387 1.00 0.00 O ATOM 364 CB PHE A 22 6.063 11.281 -1.235 1.00 0.00 C ATOM 365 CG PHE A 22 5.601 10.061 -0.490 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.384 10.059 0.173 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.381 8.917 -0.453 1.00 0.00 C ATOM 368 CE1 PHE A 22 3.955 8.939 0.858 1.00 0.00 C ATOM 369 CE2 PHE A 22 5.957 7.794 0.232 1.00 0.00 C ATOM 370 CZ PHE A 22 4.743 7.805 0.889 1.00 0.00 C ATOM 0 H PHE A 22 7.581 14.028 -0.992 1.00 0.00 H new ATOM 0 HA PHE A 22 5.416 12.705 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.313 11.547 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.979 11.041 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.764 10.943 0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.332 8.902 -0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.004 8.950 1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.575 6.909 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.410 6.929 1.426 1.00 0.00 H new ATOM 380 N ASP A 23 7.093 11.565 1.771 1.00 0.00 N ATOM 381 CA ASP A 23 8.075 11.209 2.790 1.00 0.00 C ATOM 382 C ASP A 23 7.975 9.731 3.149 1.00 0.00 C ATOM 383 O ASP A 23 6.946 9.094 2.917 1.00 0.00 O ATOM 384 CB ASP A 23 7.877 12.065 4.042 1.00 0.00 C ATOM 385 CG ASP A 23 9.171 12.289 4.799 1.00 0.00 C ATOM 386 OD1 ASP A 23 10.248 12.203 4.173 1.00 0.00 O ATOM 387 OD2 ASP A 23 9.106 12.552 6.019 1.00 0.00 O ATOM 0 H ASP A 23 6.134 11.306 2.001 1.00 0.00 H new ATOM 0 HA ASP A 23 9.068 11.399 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.454 13.028 3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.154 11.582 4.699 1.00 0.00 H new ATOM 392 N LEU A 24 9.048 9.191 3.717 1.00 0.00 N ATOM 393 CA LEU A 24 9.081 7.787 4.110 1.00 0.00 C ATOM 394 C LEU A 24 8.576 7.607 5.537 1.00 0.00 C ATOM 395 O LEU A 24 8.022 6.564 5.884 1.00 0.00 O ATOM 396 CB LEU A 24 10.501 7.234 3.984 1.00 0.00 C ATOM 397 CG LEU A 24 11.008 7.066 2.551 1.00 0.00 C ATOM 398 CD1 LEU A 24 11.686 8.340 2.072 1.00 0.00 C ATOM 399 CD2 LEU A 24 11.961 5.884 2.459 1.00 0.00 C ATOM 0 H LEU A 24 9.907 9.705 3.916 1.00 0.00 H new ATOM 0 HA LEU A 24 8.422 7.234 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.181 7.898 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.543 6.266 4.483 1.00 0.00 H new ATOM 0 HG LEU A 24 10.154 6.869 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.040 8.202 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.973 9.164 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.531 8.569 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.312 5.779 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.813 6.051 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.442 4.974 2.760 1.00 0.00 H new ATOM 411 N LYS A 25 8.770 8.632 6.362 1.00 0.00 N ATOM 412 CA LYS A 25 8.334 8.588 7.754 1.00 0.00 C ATOM 413 C LYS A 25 6.831 8.342 7.846 1.00 0.00 C ATOM 414 O LYS A 25 6.369 7.572 8.688 1.00 0.00 O ATOM 415 CB LYS A 25 8.694 9.894 8.464 1.00 0.00 C ATOM 416 CG LYS A 25 8.932 9.728 9.957 1.00 0.00 C ATOM 417 CD LYS A 25 10.273 10.310 10.376 1.00 0.00 C ATOM 418 CE LYS A 25 10.151 11.777 10.755 1.00 0.00 C ATOM 419 NZ LYS A 25 11.332 12.251 11.528 1.00 0.00 N ATOM 0 H LYS A 25 9.226 9.503 6.091 1.00 0.00 H new ATOM 0 HA LYS A 25 8.849 7.762 8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.590 10.312 8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.891 10.615 8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.132 10.219 10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.896 8.670 10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.667 9.746 11.222 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.988 10.202 9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.044 12.378 9.852 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.247 11.925 11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.210 13.256 11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.420 11.695 12.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.192 12.134 10.955 1.00 0.00 H new ATOM 433 N LEU A 26 6.074 9.000 6.975 1.00 0.00 N ATOM 434 CA LEU A 26 4.622 8.853 6.958 1.00 0.00 C ATOM 435 C LEU A 26 4.224 7.441 6.542 1.00 0.00 C ATOM 436 O LEU A 26 3.199 6.919 6.980 1.00 0.00 O ATOM 437 CB LEU A 26 3.996 9.874 6.006 1.00 0.00 C ATOM 438 CG LEU A 26 4.301 9.651 4.523 1.00 0.00 C ATOM 439 CD1 LEU A 26 3.252 8.747 3.893 1.00 0.00 C ATOM 440 CD2 LEU A 26 4.372 10.981 3.789 1.00 0.00 C ATOM 0 H LEU A 26 6.441 9.641 6.271 1.00 0.00 H new ATOM 0 HA LEU A 26 4.251 9.033 7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.915 9.862 6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.342 10.869 6.287 1.00 0.00 H new ATOM 0 HG LEU A 26 5.271 9.160 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.485 8.599 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.249 7.783 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.270 9.210 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.590 10.804 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.417 11.498 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.160 11.595 4.224 1.00 0.00 H new ATOM 452 N LEU A 27 5.043 6.825 5.694 1.00 0.00 N ATOM 453 CA LEU A 27 4.776 5.473 5.219 1.00 0.00 C ATOM 454 C LEU A 27 4.883 4.462 6.356 1.00 0.00 C ATOM 455 O LEU A 27 4.231 3.418 6.334 1.00 0.00 O ATOM 456 CB LEU A 27 5.750 5.103 4.099 1.00 0.00 C ATOM 457 CG LEU A 27 5.425 3.801 3.364 1.00 0.00 C ATOM 458 CD1 LEU A 27 5.614 3.970 1.864 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.291 2.663 3.887 1.00 0.00 C ATOM 0 H LEU A 27 5.897 7.242 5.322 1.00 0.00 H new ATOM 0 HA LEU A 27 3.758 5.447 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.772 5.916 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.752 5.024 4.521 1.00 0.00 H new ATOM 0 HG LEU A 27 4.380 3.553 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.378 3.033 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.951 4.755 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.649 4.243 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.046 1.745 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.342 2.905 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.105 2.524 4.952 1.00 0.00 H new ATOM 471 N TYR A 28 5.709 4.778 7.348 1.00 0.00 N ATOM 472 CA TYR A 28 5.901 3.894 8.493 1.00 0.00 C ATOM 473 C TYR A 28 4.746 4.023 9.481 1.00 0.00 C ATOM 474 O TYR A 28 4.404 3.069 10.179 1.00 0.00 O ATOM 475 CB TYR A 28 7.226 4.212 9.189 1.00 0.00 C ATOM 476 CG TYR A 28 8.242 3.096 9.098 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.201 2.019 9.978 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.242 3.117 8.134 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.128 0.998 9.898 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.173 2.099 8.050 1.00 0.00 C ATOM 481 CZ TYR A 28 10.111 1.042 8.933 1.00 0.00 C ATOM 482 OH TYR A 28 11.035 0.026 8.851 1.00 0.00 O ATOM 0 H TYR A 28 6.256 5.638 7.383 1.00 0.00 H new ATOM 0 HA TYR A 28 5.927 2.867 8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.650 5.115 8.749 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.032 4.430 10.239 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.432 1.981 10.736 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.293 3.942 7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.083 0.169 10.589 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.946 2.131 7.296 1.00 0.00 H new ATOM 0 HH TYR A 28 11.658 0.209 8.117 1.00 0.00 H new ATOM 492 N LYS A 29 4.148 5.210 9.538 1.00 0.00 N ATOM 493 CA LYS A 29 3.033 5.463 10.443 1.00 0.00 C ATOM 494 C LYS A 29 1.713 5.015 9.825 1.00 0.00 C ATOM 495 O LYS A 29 0.823 4.529 10.522 1.00 0.00 O ATOM 496 CB LYS A 29 2.966 6.949 10.798 1.00 0.00 C ATOM 497 CG LYS A 29 1.962 7.268 11.896 1.00 0.00 C ATOM 498 CD LYS A 29 1.933 8.754 12.209 1.00 0.00 C ATOM 499 CE LYS A 29 3.141 9.173 13.033 1.00 0.00 C ATOM 500 NZ LYS A 29 2.975 8.836 14.474 1.00 0.00 N ATOM 0 H LYS A 29 4.418 6.011 8.968 1.00 0.00 H new ATOM 0 HA LYS A 29 3.199 4.885 11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.954 7.284 11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.707 7.516 9.904 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.969 6.940 11.589 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.217 6.710 12.797 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.910 9.322 11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.019 8.995 12.752 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.033 8.681 12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.298 10.246 12.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.820 9.138 15.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.139 9.326 14.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.851 7.809 14.578 1.00 0.00 H new ATOM 514 N VAL A 30 1.592 5.182 8.512 1.00 0.00 N ATOM 515 CA VAL A 30 0.380 4.797 7.799 1.00 0.00 C ATOM 516 C VAL A 30 0.218 3.277 7.749 1.00 0.00 C ATOM 517 O VAL A 30 -0.844 2.772 7.384 1.00 0.00 O ATOM 518 CB VAL A 30 0.369 5.353 6.362 1.00 0.00 C ATOM 519 CG1 VAL A 30 1.511 4.765 5.549 1.00 0.00 C ATOM 520 CG2 VAL A 30 -0.968 5.081 5.691 1.00 0.00 C ATOM 0 H VAL A 30 2.320 5.582 7.920 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.455 5.226 8.353 1.00 0.00 H new ATOM 0 HB VAL A 30 0.510 6.433 6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.484 5.171 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.461 5.021 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.407 3.681 5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.955 5.482 4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.144 4.006 5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.765 5.560 6.260 1.00 0.00 H new ATOM 530 N VAL A 31 1.273 2.551 8.115 1.00 0.00 N ATOM 531 CA VAL A 31 1.239 1.091 8.107 1.00 0.00 C ATOM 532 C VAL A 31 0.018 0.562 8.853 1.00 0.00 C ATOM 533 O VAL A 31 -0.631 -0.386 8.410 1.00 0.00 O ATOM 534 CB VAL A 31 2.516 0.499 8.737 1.00 0.00 C ATOM 535 CG1 VAL A 31 2.642 0.919 10.193 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.522 -1.018 8.609 1.00 0.00 C ATOM 0 H VAL A 31 2.161 2.950 8.420 1.00 0.00 H new ATOM 0 HA VAL A 31 1.180 0.780 7.064 1.00 0.00 H new ATOM 0 HB VAL A 31 3.378 0.890 8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.550 0.490 10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.690 2.006 10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.776 0.562 10.751 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.431 -1.418 9.059 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.652 -1.430 9.121 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.487 -1.294 7.555 1.00 0.00 H new ATOM 546 N GLY A 32 -0.292 1.180 9.987 1.00 0.00 N ATOM 547 CA GLY A 32 -1.436 0.758 10.775 1.00 0.00 C ATOM 548 C GLY A 32 -2.753 1.079 10.095 1.00 0.00 C ATOM 549 O GLY A 32 -3.751 0.390 10.307 1.00 0.00 O ATOM 0 H GLY A 32 0.229 1.966 10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.375 -0.315 10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.404 1.247 11.749 1.00 0.00 H new ATOM 553 N ASN A 33 -2.755 2.128 9.280 1.00 0.00 N ATOM 554 CA ASN A 33 -3.958 2.542 8.568 1.00 0.00 C ATOM 555 C ASN A 33 -4.129 1.757 7.269 1.00 0.00 C ATOM 556 O ASN A 33 -5.227 1.685 6.718 1.00 0.00 O ATOM 557 CB ASN A 33 -3.905 4.040 8.266 1.00 0.00 C ATOM 558 CG ASN A 33 -4.045 4.888 9.515 1.00 0.00 C ATOM 559 OD1 ASN A 33 -3.055 5.370 10.064 1.00 0.00 O ATOM 560 ND2 ASN A 33 -5.277 5.072 9.972 1.00 0.00 N ATOM 0 H ASN A 33 -1.936 2.708 9.096 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.815 2.334 9.209 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.961 4.275 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.701 4.295 7.566 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.432 5.632 10.810 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.069 4.653 9.485 1.00 0.00 H new ATOM 567 N LEU A 34 -3.038 1.169 6.783 1.00 0.00 N ATOM 568 CA LEU A 34 -3.077 0.392 5.549 1.00 0.00 C ATOM 569 C LEU A 34 -3.830 -0.918 5.753 1.00 0.00 C ATOM 570 O LEU A 34 -4.666 -1.299 4.933 1.00 0.00 O ATOM 571 CB LEU A 34 -1.656 0.105 5.058 1.00 0.00 C ATOM 572 CG LEU A 34 -0.908 1.314 4.495 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.533 0.948 4.174 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.615 1.847 3.258 1.00 0.00 C ATOM 0 H LEU A 34 -2.120 1.216 7.224 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.604 0.979 4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.078 -0.307 5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.703 -0.665 4.288 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.900 2.099 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.050 1.821 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.034 0.614 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.549 0.147 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.070 2.707 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.653 1.068 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.629 2.148 3.520 1.00 0.00 H new ATOM 586 N ALA A 35 -3.529 -1.603 6.851 1.00 0.00 N ATOM 587 CA ALA A 35 -4.177 -2.871 7.162 1.00 0.00 C ATOM 588 C ALA A 35 -5.667 -2.680 7.426 1.00 0.00 C ATOM 589 O ALA A 35 -6.503 -3.382 6.857 1.00 0.00 O ATOM 590 CB ALA A 35 -3.506 -3.524 8.363 1.00 0.00 C ATOM 0 H ALA A 35 -2.840 -1.301 7.540 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.071 -3.526 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.999 -4.470 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.455 -3.706 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.583 -2.863 9.226 1.00 0.00 H new ATOM 596 N THR A 36 -5.992 -1.727 8.294 1.00 0.00 N ATOM 597 CA THR A 36 -7.382 -1.445 8.633 1.00 0.00 C ATOM 598 C THR A 36 -8.075 -0.687 7.505 1.00 0.00 C ATOM 599 O THR A 36 -9.252 -0.910 7.225 1.00 0.00 O ATOM 600 CB THR A 36 -7.459 -0.636 9.928 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.784 0.601 9.788 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.858 -1.355 11.117 1.00 0.00 C ATOM 0 H THR A 36 -5.312 -1.138 8.775 1.00 0.00 H new ATOM 0 HA THR A 36 -7.894 -2.396 8.776 1.00 0.00 H new ATOM 0 HB THR A 36 -8.523 -0.486 10.113 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.829 0.474 9.965 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.945 -0.727 12.004 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.390 -2.292 11.282 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.806 -1.564 10.922 1.00 0.00 H new ATOM 610 N GLU A 37 -7.336 0.212 6.862 1.00 0.00 N ATOM 611 CA GLU A 37 -7.880 1.004 5.766 1.00 0.00 C ATOM 612 C GLU A 37 -9.050 1.859 6.241 1.00 0.00 C ATOM 613 O GLU A 37 -10.148 1.794 5.687 1.00 0.00 O ATOM 614 CB GLU A 37 -8.327 0.091 4.621 1.00 0.00 C ATOM 615 CG GLU A 37 -7.316 -0.992 4.276 1.00 0.00 C ATOM 616 CD GLU A 37 -7.881 -2.038 3.337 1.00 0.00 C ATOM 617 OE1 GLU A 37 -8.978 -2.564 3.624 1.00 0.00 O ATOM 618 OE2 GLU A 37 -7.229 -2.334 2.315 1.00 0.00 O ATOM 0 H GLU A 37 -6.360 0.410 7.081 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.094 1.667 5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.273 -0.379 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.513 0.698 3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.440 -0.533 3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.980 -1.476 5.193 1.00 0.00 H new ATOM 625 N GLN A 38 -8.812 2.657 7.277 1.00 0.00 N ATOM 626 CA GLN A 38 -9.849 3.521 7.832 1.00 0.00 C ATOM 627 C GLN A 38 -10.030 4.784 6.989 1.00 0.00 C ATOM 628 O GLN A 38 -11.146 5.107 6.583 1.00 0.00 O ATOM 629 CB GLN A 38 -9.524 3.902 9.281 1.00 0.00 C ATOM 630 CG GLN A 38 -8.698 2.863 10.024 1.00 0.00 C ATOM 631 CD GLN A 38 -8.735 3.053 11.527 1.00 0.00 C ATOM 632 OE1 GLN A 38 -9.788 2.934 12.153 1.00 0.00 O ATOM 633 NE2 GLN A 38 -7.583 3.353 12.115 1.00 0.00 N ATOM 0 H GLN A 38 -7.910 2.724 7.749 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.784 2.960 7.816 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.985 4.850 9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.457 4.064 9.821 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.068 1.867 9.778 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.665 2.913 9.681 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.734 3.442 11.557 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.547 3.495 13.125 1.00 0.00 H new ATOM 642 N PRO A 39 -8.937 5.523 6.714 1.00 0.00 N ATOM 643 CA PRO A 39 -9.009 6.753 5.921 1.00 0.00 C ATOM 644 C PRO A 39 -9.244 6.479 4.432 1.00 0.00 C ATOM 645 O PRO A 39 -10.388 6.428 3.982 1.00 0.00 O ATOM 646 CB PRO A 39 -7.650 7.412 6.162 1.00 0.00 C ATOM 647 CG PRO A 39 -6.725 6.293 6.500 1.00 0.00 C ATOM 648 CD PRO A 39 -7.561 5.225 7.156 1.00 0.00 C ATOM 0 HA PRO A 39 -9.849 7.382 6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.311 7.949 5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.703 8.137 6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.239 5.908 5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.935 6.632 7.170 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.250 4.228 6.845 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.474 5.262 8.242 1.00 0.00 H new ATOM 656 N LEU A 40 -8.165 6.303 3.669 1.00 0.00 N ATOM 657 CA LEU A 40 -8.274 6.038 2.237 1.00 0.00 C ATOM 658 C LEU A 40 -9.156 7.078 1.552 1.00 0.00 C ATOM 659 O LEU A 40 -9.647 8.008 2.193 1.00 0.00 O ATOM 660 CB LEU A 40 -8.838 4.637 1.999 1.00 0.00 C ATOM 661 CG LEU A 40 -7.835 3.495 2.182 1.00 0.00 C ATOM 662 CD1 LEU A 40 -7.381 3.406 3.630 1.00 0.00 C ATOM 663 CD2 LEU A 40 -8.443 2.176 1.731 1.00 0.00 C ATOM 0 H LEU A 40 -7.208 6.339 4.019 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.275 6.099 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.674 4.478 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.238 4.590 0.986 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.962 3.703 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.669 2.588 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.905 4.343 3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.243 3.223 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.717 1.375 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.333 1.964 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.716 2.242 0.678 1.00 0.00 H new ATOM 675 N ALA A 41 -9.351 6.916 0.247 1.00 0.00 N ATOM 676 CA ALA A 41 -10.173 7.841 -0.523 1.00 0.00 C ATOM 677 C ALA A 41 -11.325 7.112 -1.213 1.00 0.00 C ATOM 678 O ALA A 41 -11.101 6.281 -2.093 1.00 0.00 O ATOM 679 CB ALA A 41 -9.320 8.572 -1.550 1.00 0.00 C ATOM 0 H ALA A 41 -8.951 6.153 -0.299 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.600 8.569 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.945 9.260 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.536 9.132 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.867 7.849 -2.228 1.00 0.00 H new ATOM 685 N PRO A 42 -12.579 7.410 -0.825 1.00 0.00 N ATOM 686 CA PRO A 42 -13.759 6.774 -1.418 1.00 0.00 C ATOM 687 C PRO A 42 -14.011 7.241 -2.848 1.00 0.00 C ATOM 688 O PRO A 42 -14.962 7.977 -3.113 1.00 0.00 O ATOM 689 CB PRO A 42 -14.900 7.215 -0.500 1.00 0.00 C ATOM 690 CG PRO A 42 -14.438 8.508 0.078 1.00 0.00 C ATOM 691 CD PRO A 42 -12.946 8.390 0.218 1.00 0.00 C ATOM 0 HA PRO A 42 -13.647 5.692 -1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.830 7.338 -1.055 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.089 6.477 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.704 9.343 -0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.907 8.693 1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.451 9.348 0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.662 8.044 1.212 1.00 0.00 H new ATOM 699 N LYS A 43 -13.152 6.812 -3.765 1.00 0.00 N ATOM 700 CA LYS A 43 -13.282 7.187 -5.169 1.00 0.00 C ATOM 701 C LYS A 43 -12.352 6.353 -6.045 1.00 0.00 C ATOM 702 O LYS A 43 -12.732 5.922 -7.135 1.00 0.00 O ATOM 703 CB LYS A 43 -12.977 8.675 -5.354 1.00 0.00 C ATOM 704 CG LYS A 43 -11.791 9.162 -4.534 1.00 0.00 C ATOM 705 CD LYS A 43 -12.214 10.171 -3.478 1.00 0.00 C ATOM 706 CE LYS A 43 -11.913 11.595 -3.913 1.00 0.00 C ATOM 707 NZ LYS A 43 -12.745 12.589 -3.178 1.00 0.00 N ATOM 0 H LYS A 43 -12.358 6.204 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.310 6.994 -5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.782 8.869 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.859 9.254 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.308 8.312 -4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.053 9.615 -5.195 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.281 10.068 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.696 9.958 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.858 11.810 -3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.092 11.693 -4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.509 13.548 -3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.752 12.400 -3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.556 12.514 -2.158 1.00 0.00 H new ATOM 721 N TYR A 44 -11.133 6.129 -5.564 1.00 0.00 N ATOM 722 CA TYR A 44 -10.150 5.347 -6.306 1.00 0.00 C ATOM 723 C TYR A 44 -10.313 3.850 -6.042 1.00 0.00 C ATOM 724 O TYR A 44 -9.506 3.043 -6.504 1.00 0.00 O ATOM 725 CB TYR A 44 -8.733 5.790 -5.934 1.00 0.00 C ATOM 726 CG TYR A 44 -8.568 7.291 -5.851 1.00 0.00 C ATOM 727 CD1 TYR A 44 -8.776 8.095 -6.964 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.206 7.903 -4.657 1.00 0.00 C ATOM 729 CE1 TYR A 44 -8.627 9.466 -6.892 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.056 9.274 -4.577 1.00 0.00 C ATOM 731 CZ TYR A 44 -8.268 10.051 -5.696 1.00 0.00 C ATOM 732 OH TYR A 44 -8.118 11.416 -5.618 1.00 0.00 O ATOM 0 H TYR A 44 -10.802 6.478 -4.664 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.317 5.524 -7.369 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.465 5.350 -4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.033 5.397 -6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.059 7.640 -7.902 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.039 7.298 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.791 10.077 -7.768 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.774 9.735 -3.642 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.864 11.666 -4.705 1.00 0.00 H new ATOM 742 N LYS A 45 -11.355 3.483 -5.299 1.00 0.00 N ATOM 743 CA LYS A 45 -11.614 2.084 -4.981 1.00 0.00 C ATOM 744 C LYS A 45 -10.473 1.490 -4.162 1.00 0.00 C ATOM 745 O LYS A 45 -9.309 1.851 -4.344 1.00 0.00 O ATOM 746 CB LYS A 45 -11.813 1.273 -6.263 1.00 0.00 C ATOM 747 CG LYS A 45 -13.249 1.264 -6.760 1.00 0.00 C ATOM 748 CD LYS A 45 -14.165 0.511 -5.808 1.00 0.00 C ATOM 749 CE LYS A 45 -15.538 1.159 -5.724 1.00 0.00 C ATOM 750 NZ LYS A 45 -16.534 0.463 -6.583 1.00 0.00 N ATOM 0 H LYS A 45 -12.033 4.137 -4.907 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.526 2.038 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.170 1.679 -7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.492 0.246 -6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.603 2.289 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.290 0.803 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.269 -0.521 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.715 0.481 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.881 1.149 -4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.465 2.204 -6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.457 0.935 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.220 0.494 -7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.623 -0.528 -6.279 1.00 0.00 H new ATOM 764 N ASP A 46 -10.813 0.578 -3.257 1.00 0.00 N ATOM 765 CA ASP A 46 -9.819 -0.067 -2.409 1.00 0.00 C ATOM 766 C ASP A 46 -10.322 -1.419 -1.914 1.00 0.00 C ATOM 767 O ASP A 46 -11.228 -1.488 -1.083 1.00 0.00 O ATOM 768 CB ASP A 46 -9.477 0.830 -1.217 1.00 0.00 C ATOM 769 CG ASP A 46 -10.708 1.256 -0.443 1.00 0.00 C ATOM 770 OD1 ASP A 46 -11.460 2.114 -0.948 1.00 0.00 O ATOM 771 OD2 ASP A 46 -10.921 0.729 0.670 1.00 0.00 O ATOM 0 H ASP A 46 -11.771 0.269 -3.092 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.920 -0.229 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.797 0.300 -0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.950 1.716 -1.572 1.00 0.00 H new ATOM 776 N HIS A 47 -9.731 -2.490 -2.430 1.00 0.00 N ATOM 777 CA HIS A 47 -10.121 -3.842 -2.042 1.00 0.00 C ATOM 778 C HIS A 47 -9.128 -4.868 -2.584 1.00 0.00 C ATOM 779 O HIS A 47 -8.299 -4.552 -3.440 1.00 0.00 O ATOM 780 CB HIS A 47 -11.529 -4.153 -2.554 1.00 0.00 C ATOM 781 CG HIS A 47 -12.558 -4.228 -1.468 1.00 0.00 C ATOM 782 ND1 HIS A 47 -12.404 -3.622 -0.238 1.00 0.00 N ATOM 783 CD2 HIS A 47 -13.764 -4.846 -1.431 1.00 0.00 C ATOM 784 CE1 HIS A 47 -13.469 -3.863 0.506 1.00 0.00 C ATOM 785 NE2 HIS A 47 -14.308 -4.602 -0.194 1.00 0.00 N ATOM 0 H HIS A 47 -8.980 -2.449 -3.118 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.118 -3.900 -0.954 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.824 -3.386 -3.270 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.510 -5.101 -3.092 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -11.594 -3.074 0.052 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.213 -5.423 -2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.626 -3.514 1.516 1.00 0.00 H new ATOM 794 N PRO A 48 -9.198 -6.118 -2.093 1.00 0.00 N ATOM 795 CA PRO A 48 -8.300 -7.190 -2.535 1.00 0.00 C ATOM 796 C PRO A 48 -8.557 -7.601 -3.981 1.00 0.00 C ATOM 797 O PRO A 48 -9.386 -7.005 -4.668 1.00 0.00 O ATOM 798 CB PRO A 48 -8.629 -8.346 -1.585 1.00 0.00 C ATOM 799 CG PRO A 48 -10.018 -8.078 -1.123 1.00 0.00 C ATOM 800 CD PRO A 48 -10.156 -6.583 -1.072 1.00 0.00 C ATOM 0 HA PRO A 48 -7.255 -6.882 -2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.560 -9.307 -2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.933 -8.379 -0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.747 -8.514 -1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.195 -8.520 -0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.173 -6.265 -1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.914 -6.190 -0.085 1.00 0.00 H new ATOM 904 N ASP A 55 -3.399 -12.426 -1.802 1.00 0.00 N ATOM 905 CA ASP A 55 -2.669 -11.574 -0.869 1.00 0.00 C ATOM 906 C ASP A 55 -2.425 -10.189 -1.463 1.00 0.00 C ATOM 907 O ASP A 55 -2.222 -9.219 -0.733 1.00 0.00 O ATOM 908 CB ASP A 55 -1.334 -12.222 -0.495 1.00 0.00 C ATOM 909 CG ASP A 55 -1.514 -13.551 0.213 1.00 0.00 C ATOM 910 OD1 ASP A 55 -1.567 -14.590 -0.479 1.00 0.00 O ATOM 911 OD2 ASP A 55 -1.603 -13.552 1.459 1.00 0.00 O ATOM 0 HA ASP A 55 -3.278 -11.460 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.741 -12.372 -1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.772 -11.544 0.148 1.00 0.00 H new ATOM 916 N PHE A 56 -2.449 -10.103 -2.790 1.00 0.00 N ATOM 917 CA PHE A 56 -2.231 -8.837 -3.479 1.00 0.00 C ATOM 918 C PHE A 56 -3.401 -7.883 -3.254 1.00 0.00 C ATOM 919 O PHE A 56 -4.563 -8.269 -3.379 1.00 0.00 O ATOM 920 CB PHE A 56 -2.034 -9.075 -4.977 1.00 0.00 C ATOM 921 CG PHE A 56 -0.647 -9.524 -5.336 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.341 -8.597 -5.631 1.00 0.00 C ATOM 923 CD2 PHE A 56 -0.330 -10.873 -5.381 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.619 -9.007 -5.963 1.00 0.00 C ATOM 925 CE2 PHE A 56 0.945 -11.288 -5.711 1.00 0.00 C ATOM 926 CZ PHE A 56 1.922 -10.355 -6.001 1.00 0.00 C ATOM 0 H PHE A 56 -2.617 -10.896 -3.409 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.331 -8.381 -3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.749 -9.826 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.260 -8.155 -5.516 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.110 -7.543 -5.601 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.089 -11.608 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.379 -8.275 -6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.179 -12.342 -5.742 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.920 -10.678 -6.257 1.00 0.00 H new ATOM 936 N ARG A 57 -3.082 -6.637 -2.918 1.00 0.00 N ATOM 937 CA ARG A 57 -4.102 -5.623 -2.670 1.00 0.00 C ATOM 938 C ARG A 57 -3.576 -4.232 -3.013 1.00 0.00 C ATOM 939 O ARG A 57 -2.376 -3.972 -2.918 1.00 0.00 O ATOM 940 CB ARG A 57 -4.552 -5.657 -1.206 1.00 0.00 C ATOM 941 CG ARG A 57 -4.652 -7.058 -0.626 1.00 0.00 C ATOM 942 CD ARG A 57 -4.873 -7.023 0.878 1.00 0.00 C ATOM 943 NE ARG A 57 -6.290 -6.970 1.224 1.00 0.00 N ATOM 944 CZ ARG A 57 -6.749 -6.602 2.417 1.00 0.00 C ATOM 945 NH1 ARG A 57 -5.905 -6.252 3.381 1.00 0.00 N ATOM 946 NH2 ARG A 57 -8.054 -6.584 2.651 1.00 0.00 N ATOM 0 H ARG A 57 -2.124 -6.305 -2.811 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.957 -5.845 -3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.851 -5.075 -0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.523 -5.170 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.473 -7.593 -1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.739 -7.611 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.423 -7.906 1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.365 -6.155 1.298 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.969 -7.231 0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.900 -6.265 3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.262 -5.971 4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.708 -6.853 1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.404 -6.302 3.566 1.00 0.00 H new ATOM 960 N GLU A 58 -4.480 -3.343 -3.412 1.00 0.00 N ATOM 961 CA GLU A 58 -4.107 -1.981 -3.770 1.00 0.00 C ATOM 962 C GLU A 58 -5.127 -0.980 -3.237 1.00 0.00 C ATOM 963 O GLU A 58 -6.309 -1.044 -3.574 1.00 0.00 O ATOM 964 CB GLU A 58 -3.986 -1.845 -5.288 1.00 0.00 C ATOM 965 CG GLU A 58 -3.549 -0.462 -5.744 1.00 0.00 C ATOM 966 CD GLU A 58 -3.533 -0.323 -7.254 1.00 0.00 C ATOM 967 OE1 GLU A 58 -3.228 -1.323 -7.938 1.00 0.00 O ATOM 968 OE2 GLU A 58 -3.826 0.784 -7.751 1.00 0.00 O ATOM 0 H GLU A 58 -5.477 -3.543 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.140 -1.764 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.271 -2.582 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.948 -2.081 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.221 0.285 -5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.553 -0.253 -5.353 1.00 0.00 H new ATOM 975 N CYS A 59 -4.662 -0.053 -2.405 1.00 0.00 N ATOM 976 CA CYS A 59 -5.536 0.962 -1.827 1.00 0.00 C ATOM 977 C CYS A 59 -4.971 2.360 -2.056 1.00 0.00 C ATOM 978 O CYS A 59 -3.756 2.541 -2.151 1.00 0.00 O ATOM 979 CB CYS A 59 -5.721 0.713 -0.329 1.00 0.00 C ATOM 980 SG CYS A 59 -4.174 0.528 0.585 1.00 0.00 S ATOM 0 H CYS A 59 -3.686 0.016 -2.116 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.505 0.896 -2.321 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.286 1.541 0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.321 -0.187 -0.193 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.435 0.323 1.842 1.00 0.00 H new ATOM 986 N HIS A 60 -5.858 3.345 -2.146 1.00 0.00 N ATOM 987 CA HIS A 60 -5.446 4.725 -2.365 1.00 0.00 C ATOM 988 C HIS A 60 -5.508 5.526 -1.069 1.00 0.00 C ATOM 989 O HIS A 60 -6.448 6.289 -0.842 1.00 0.00 O ATOM 990 CB HIS A 60 -6.331 5.380 -3.428 1.00 0.00 C ATOM 991 CG HIS A 60 -6.005 4.953 -4.824 1.00 0.00 C ATOM 992 ND1 HIS A 60 -5.855 5.841 -5.869 1.00 0.00 N ATOM 993 CD2 HIS A 60 -5.796 3.721 -5.348 1.00 0.00 C ATOM 994 CE1 HIS A 60 -5.572 5.174 -6.974 1.00 0.00 C ATOM 995 NE2 HIS A 60 -5.530 3.887 -6.684 1.00 0.00 N ATOM 0 H HIS A 60 -6.867 3.213 -2.071 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.414 4.718 -2.715 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.374 5.142 -3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.231 6.463 -3.355 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.948 6.854 -5.800 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.832 2.783 -4.814 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.404 5.608 -7.949 1.00 0.00 H new ATOM 1004 N LEU A 61 -4.501 5.346 -0.220 1.00 0.00 N ATOM 1005 CA LEU A 61 -4.439 6.051 1.055 1.00 0.00 C ATOM 1006 C LEU A 61 -4.437 7.562 0.844 1.00 0.00 C ATOM 1007 O LEU A 61 -4.975 8.312 1.659 1.00 0.00 O ATOM 1008 CB LEU A 61 -3.189 5.632 1.833 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.880 5.700 1.044 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -1.171 7.022 1.300 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.977 4.530 1.407 1.00 0.00 C ATOM 0 H LEU A 61 -3.716 4.717 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.325 5.785 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.098 6.268 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.327 4.611 2.190 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.115 5.636 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.242 7.053 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.814 7.846 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.948 7.116 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.051 4.595 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.750 4.563 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.483 3.593 1.173 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.828 8.002 -0.253 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.757 9.423 -0.570 1.00 0.00 C ATOM 1025 C LYS A 62 -4.261 9.686 -1.987 1.00 0.00 C ATOM 1026 O LYS A 62 -4.304 8.777 -2.818 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.322 9.929 -0.421 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.907 10.169 1.021 1.00 0.00 C ATOM 1029 CD LYS A 62 -2.647 11.351 1.628 1.00 0.00 C ATOM 1030 CE LYS A 62 -1.832 12.630 1.530 1.00 0.00 C ATOM 1031 NZ LYS A 62 -0.993 12.849 2.743 1.00 0.00 N ATOM 0 H LYS A 62 -3.377 7.394 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.396 9.961 0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.642 9.205 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.213 10.858 -0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.104 9.274 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.833 10.350 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.600 11.486 1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.873 11.142 2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.192 12.586 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.503 13.478 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.453 13.731 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.605 12.917 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.335 12.052 2.858 1.00 0.00 H new ATOM 1045 N PRO A 63 -4.653 10.936 -2.287 1.00 0.00 N ATOM 1046 CA PRO A 63 -5.155 11.311 -3.613 1.00 0.00 C ATOM 1047 C PRO A 63 -4.140 11.034 -4.714 1.00 0.00 C ATOM 1048 O PRO A 63 -3.017 11.536 -4.678 1.00 0.00 O ATOM 1049 CB PRO A 63 -5.423 12.818 -3.494 1.00 0.00 C ATOM 1050 CG PRO A 63 -4.658 13.260 -2.292 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.638 12.082 -1.363 1.00 0.00 C ATOM 0 HA PRO A 63 -6.039 10.735 -3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.093 13.348 -4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.488 13.020 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.646 13.562 -2.562 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.133 14.121 -1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.750 12.080 -0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.502 12.077 -0.698 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.544 10.231 -5.694 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.672 9.884 -6.810 1.00 0.00 C ATOM 1061 C ASP A 64 -2.431 9.141 -6.323 1.00 0.00 C ATOM 1062 O ASP A 64 -1.326 9.367 -6.817 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.259 11.142 -7.576 1.00 0.00 C ATOM 1064 CG ASP A 64 -4.414 11.755 -8.344 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -4.691 11.290 -9.470 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -5.042 12.699 -7.821 1.00 0.00 O ATOM 0 H ASP A 64 -5.471 9.808 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.228 9.227 -7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.861 11.876 -6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.455 10.895 -8.270 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.622 8.252 -5.353 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.518 7.476 -4.801 1.00 0.00 C ATOM 1073 C LEU A 65 -1.931 6.023 -4.578 1.00 0.00 C ATOM 1074 O LEU A 65 -2.646 5.712 -3.625 1.00 0.00 O ATOM 1075 CB LEU A 65 -1.039 8.094 -3.484 1.00 0.00 C ATOM 1076 CG LEU A 65 0.331 8.778 -3.550 1.00 0.00 C ATOM 1077 CD1 LEU A 65 0.177 10.291 -3.512 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.220 8.304 -2.409 1.00 0.00 C ATOM 0 H LEU A 65 -3.530 8.052 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.699 7.494 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.777 8.824 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.002 7.312 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 65 0.805 8.505 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.161 10.758 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.421 10.617 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.319 10.583 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.188 8.800 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.749 8.546 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.360 7.225 -2.481 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.477 5.140 -5.460 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.800 3.720 -5.355 1.00 0.00 C ATOM 1092 C LEU A 66 -0.685 2.969 -4.634 1.00 0.00 C ATOM 1093 O LEU A 66 0.470 3.006 -5.055 1.00 0.00 O ATOM 1094 CB LEU A 66 -2.031 3.097 -6.740 1.00 0.00 C ATOM 1095 CG LEU A 66 -2.000 4.067 -7.924 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.587 4.186 -8.477 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.961 3.611 -9.012 1.00 0.00 C ATOM 0 H LEU A 66 -0.885 5.381 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.722 3.634 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.273 2.331 -6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.997 2.593 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.318 5.049 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.583 4.879 -9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.079 4.557 -7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.244 3.207 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.926 4.312 -9.846 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.673 2.619 -9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.974 3.575 -8.611 1.00 0.00 H new ATOM 1109 N LEU A 67 -1.038 2.288 -3.550 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.058 1.532 -2.781 1.00 0.00 C ATOM 1111 C LEU A 67 -0.389 0.044 -2.779 1.00 0.00 C ATOM 1112 O LEU A 67 -1.233 -0.416 -2.009 1.00 0.00 O ATOM 1113 CB LEU A 67 0.009 2.046 -1.341 1.00 0.00 C ATOM 1114 CG LEU A 67 1.196 1.523 -0.525 1.00 0.00 C ATOM 1115 CD1 LEU A 67 1.492 2.451 0.643 1.00 0.00 C ATOM 1116 CD2 LEU A 67 0.922 0.110 -0.032 1.00 0.00 C ATOM 0 H LEU A 67 -1.990 2.244 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 67 0.913 1.671 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.052 3.135 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.914 1.772 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 67 2.074 1.497 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.338 2.063 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.733 3.445 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.617 2.511 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.775 -0.246 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.032 0.110 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.762 -0.549 -0.886 1.00 0.00 H new ATOM 1128 N VAL A 68 0.293 -0.706 -3.638 1.00 0.00 N ATOM 1129 CA VAL A 68 0.085 -2.144 -3.728 1.00 0.00 C ATOM 1130 C VAL A 68 1.021 -2.869 -2.769 1.00 0.00 C ATOM 1131 O VAL A 68 2.185 -2.499 -2.635 1.00 0.00 O ATOM 1132 CB VAL A 68 0.327 -2.663 -5.158 1.00 0.00 C ATOM 1133 CG1 VAL A 68 -0.131 -4.108 -5.287 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -0.380 -1.780 -6.175 1.00 0.00 C ATOM 0 H VAL A 68 0.995 -0.340 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.952 -2.343 -3.459 1.00 0.00 H new ATOM 0 HB VAL A 68 1.397 -2.625 -5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.048 -4.457 -6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.426 -4.730 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.196 -4.174 -5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.197 -2.163 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.452 -1.782 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.001 -0.762 -6.100 1.00 0.00 H new ATOM 1144 N TYR A 69 0.509 -3.892 -2.094 1.00 0.00 N ATOM 1145 CA TYR A 69 1.316 -4.645 -1.141 1.00 0.00 C ATOM 1146 C TYR A 69 0.910 -6.113 -1.100 1.00 0.00 C ATOM 1147 O TYR A 69 0.026 -6.549 -1.838 1.00 0.00 O ATOM 1148 CB TYR A 69 1.182 -4.037 0.255 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.246 -3.951 0.742 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -0.864 -5.044 1.337 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -0.975 -2.778 0.610 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.169 -4.970 1.783 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.282 -2.695 1.055 1.00 0.00 C ATOM 1154 CZ TYR A 69 -2.874 -3.793 1.640 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.174 -3.715 2.083 1.00 0.00 O ATOM 0 H TYR A 69 -0.453 -4.217 -2.188 1.00 0.00 H new ATOM 0 HA TYR A 69 2.354 -4.589 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.762 -4.633 0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.616 -3.037 0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.315 -5.967 1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.514 -1.915 0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.635 -5.830 2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.836 -1.774 0.944 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.526 -2.817 1.908 1.00 0.00 H new ATOM 1165 N GLN A 70 1.568 -6.869 -0.227 1.00 0.00 N ATOM 1166 CA GLN A 70 1.288 -8.292 -0.072 1.00 0.00 C ATOM 1167 C GLN A 70 1.841 -8.806 1.254 1.00 0.00 C ATOM 1168 O GLN A 70 3.055 -8.875 1.447 1.00 0.00 O ATOM 1169 CB GLN A 70 1.897 -9.081 -1.233 1.00 0.00 C ATOM 1170 CG GLN A 70 1.154 -10.368 -1.549 1.00 0.00 C ATOM 1171 CD GLN A 70 1.886 -11.601 -1.053 1.00 0.00 C ATOM 1172 OE1 GLN A 70 1.391 -12.322 -0.187 1.00 0.00 O ATOM 1173 NE2 GLN A 70 3.070 -11.845 -1.600 1.00 0.00 N ATOM 0 H GLN A 70 2.303 -6.517 0.387 1.00 0.00 H new ATOM 0 HA GLN A 70 0.207 -8.432 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.910 -8.451 -2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.934 -9.319 -0.996 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.163 -10.332 -1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.010 -10.445 -2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.440 -11.219 -2.315 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.610 -12.659 -1.305 1.00 0.00 H new ATOM 1182 N ILE A 71 0.943 -9.160 2.168 1.00 0.00 N ATOM 1183 CA ILE A 71 1.343 -9.664 3.476 1.00 0.00 C ATOM 1184 C ILE A 71 1.622 -11.164 3.424 1.00 0.00 C ATOM 1185 O ILE A 71 0.982 -11.900 2.673 1.00 0.00 O ATOM 1186 CB ILE A 71 0.264 -9.377 4.547 1.00 0.00 C ATOM 1187 CG1 ILE A 71 0.222 -7.883 4.874 1.00 0.00 C ATOM 1188 CG2 ILE A 71 0.521 -10.185 5.814 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.081 -7.007 3.678 1.00 0.00 C ATOM 0 H ILE A 71 -0.066 -9.107 2.027 1.00 0.00 H new ATOM 0 HA ILE A 71 2.258 -9.141 3.753 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.702 -9.678 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.533 -7.709 5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.181 -7.586 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.252 -9.964 6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.503 -11.249 5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.496 -9.921 6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.094 -5.962 3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.687 -7.151 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.054 -7.276 3.267 1.00 0.00 H new ATOM 1201 N LYS A 72 2.580 -11.608 4.230 1.00 0.00 N ATOM 1202 CA LYS A 72 2.943 -13.018 4.282 1.00 0.00 C ATOM 1203 C LYS A 72 2.646 -13.602 5.660 1.00 0.00 C ATOM 1204 O LYS A 72 3.378 -13.361 6.619 1.00 0.00 O ATOM 1205 CB LYS A 72 4.426 -13.200 3.947 1.00 0.00 C ATOM 1206 CG LYS A 72 5.344 -12.267 4.721 1.00 0.00 C ATOM 1207 CD LYS A 72 5.986 -11.230 3.811 1.00 0.00 C ATOM 1208 CE LYS A 72 7.446 -11.002 4.169 1.00 0.00 C ATOM 1209 NZ LYS A 72 8.363 -11.768 3.281 1.00 0.00 N ATOM 0 H LYS A 72 3.119 -11.011 4.857 1.00 0.00 H new ATOM 0 HA LYS A 72 2.345 -13.550 3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.712 -14.231 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.571 -13.036 2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.776 -11.763 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.122 -12.849 5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.911 -11.558 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.440 -10.290 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.675 -9.939 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.616 -11.295 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.348 -11.585 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.162 -12.785 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.220 -11.470 2.295 1.00 0.00 H new ATOM 1223 N LYS A 73 1.564 -14.369 5.748 1.00 0.00 N ATOM 1224 CA LYS A 73 1.163 -14.990 7.006 1.00 0.00 C ATOM 1225 C LYS A 73 2.287 -15.846 7.586 1.00 0.00 C ATOM 1226 O LYS A 73 2.318 -16.116 8.786 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.088 -15.846 6.800 1.00 0.00 C ATOM 1228 CG LYS A 73 -1.290 -15.057 6.306 1.00 0.00 C ATOM 1229 CD LYS A 73 -2.482 -15.209 7.238 1.00 0.00 C ATOM 1230 CE LYS A 73 -2.483 -14.140 8.318 1.00 0.00 C ATOM 1231 NZ LYS A 73 -2.989 -12.836 7.810 1.00 0.00 N ATOM 0 H LYS A 73 0.948 -14.576 4.962 1.00 0.00 H new ATOM 0 HA LYS A 73 0.941 -14.192 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.137 -16.636 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.345 -16.332 7.741 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.025 -14.003 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.563 -15.397 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.406 -15.147 6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.460 -16.196 7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.102 -14.469 9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.471 -14.012 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.973 -12.135 8.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.384 -12.509 7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.964 -12.952 7.467 1.00 0.00 H new ATOM 1245 N GLN A 74 3.211 -16.273 6.726 1.00 0.00 N ATOM 1246 CA GLN A 74 4.336 -17.100 7.154 1.00 0.00 C ATOM 1247 C GLN A 74 5.004 -16.525 8.400 1.00 0.00 C ATOM 1248 O GLN A 74 5.448 -17.266 9.276 1.00 0.00 O ATOM 1249 CB GLN A 74 5.360 -17.225 6.024 1.00 0.00 C ATOM 1250 CG GLN A 74 6.426 -18.279 6.284 1.00 0.00 C ATOM 1251 CD GLN A 74 6.181 -19.558 5.509 1.00 0.00 C ATOM 1252 OE1 GLN A 74 5.510 -19.554 4.476 1.00 0.00 O ATOM 1253 NE2 GLN A 74 6.726 -20.663 6.005 1.00 0.00 N ATOM 0 H GLN A 74 3.202 -16.059 5.729 1.00 0.00 H new ATOM 0 HA GLN A 74 3.950 -18.089 7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.839 -17.467 5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.844 -16.260 5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.403 -17.877 6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.457 -18.504 7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.275 -20.620 6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.596 -21.555 5.527 1.00 0.00 H new ATOM 1262 N GLU A 75 5.071 -15.198 8.472 1.00 0.00 N ATOM 1263 CA GLU A 75 5.683 -14.527 9.612 1.00 0.00 C ATOM 1264 C GLU A 75 5.013 -13.184 9.889 1.00 0.00 C ATOM 1265 O GLU A 75 5.596 -12.312 10.532 1.00 0.00 O ATOM 1266 CB GLU A 75 7.179 -14.321 9.365 1.00 0.00 C ATOM 1267 CG GLU A 75 7.499 -13.800 7.973 1.00 0.00 C ATOM 1268 CD GLU A 75 8.984 -13.829 7.666 1.00 0.00 C ATOM 1269 OE1 GLU A 75 9.497 -14.915 7.320 1.00 0.00 O ATOM 1270 OE2 GLU A 75 9.634 -12.768 7.773 1.00 0.00 O ATOM 0 H GLU A 75 4.709 -14.569 7.755 1.00 0.00 H new ATOM 0 HA GLU A 75 5.547 -15.163 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.568 -13.621 10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.698 -15.267 9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.967 -14.399 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.132 -12.778 7.878 1.00 0.00 H new ATOM 1277 N ASN A 76 3.783 -13.022 9.404 1.00 0.00 N ATOM 1278 CA ASN A 76 3.034 -11.784 9.604 1.00 0.00 C ATOM 1279 C ASN A 76 3.888 -10.563 9.265 1.00 0.00 C ATOM 1280 O ASN A 76 4.311 -9.822 10.151 1.00 0.00 O ATOM 1281 CB ASN A 76 2.541 -11.691 11.048 1.00 0.00 C ATOM 1282 CG ASN A 76 1.197 -12.363 11.244 1.00 0.00 C ATOM 1283 OD1 ASN A 76 0.242 -12.095 10.515 1.00 0.00 O ATOM 1284 ND2 ASN A 76 1.115 -13.245 12.235 1.00 0.00 N ATOM 0 H ASN A 76 3.284 -13.733 8.870 1.00 0.00 H new ATOM 0 HA ASN A 76 2.175 -11.798 8.933 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.274 -12.152 11.710 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.465 -10.643 11.336 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.236 -13.730 12.415 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.931 -13.437 12.815 1.00 0.00 H new ATOM 1291 N THR A 77 4.138 -10.361 7.975 1.00 0.00 N ATOM 1292 CA THR A 77 4.942 -9.232 7.520 1.00 0.00 C ATOM 1293 C THR A 77 4.218 -8.454 6.425 1.00 0.00 C ATOM 1294 O THR A 77 3.473 -9.025 5.631 1.00 0.00 O ATOM 1295 CB THR A 77 6.297 -9.722 7.005 1.00 0.00 C ATOM 1296 OG1 THR A 77 7.023 -10.366 8.039 1.00 0.00 O ATOM 1297 CG2 THR A 77 7.169 -8.613 6.456 1.00 0.00 C ATOM 0 H THR A 77 3.796 -10.964 7.227 1.00 0.00 H new ATOM 0 HA THR A 77 5.102 -8.565 8.367 1.00 0.00 H new ATOM 0 HB THR A 77 6.064 -10.412 6.194 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.251 -9.714 8.734 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.114 -9.031 6.109 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.659 -8.127 5.624 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.363 -7.881 7.240 1.00 0.00 H new ATOM 1305 N LEU A 78 4.446 -7.144 6.390 1.00 0.00 N ATOM 1306 CA LEU A 78 3.820 -6.284 5.392 1.00 0.00 C ATOM 1307 C LEU A 78 4.810 -5.931 4.286 1.00 0.00 C ATOM 1308 O LEU A 78 5.560 -4.961 4.397 1.00 0.00 O ATOM 1309 CB LEU A 78 3.291 -5.007 6.050 1.00 0.00 C ATOM 1310 CG LEU A 78 1.915 -4.550 5.566 1.00 0.00 C ATOM 1311 CD1 LEU A 78 1.409 -3.394 6.413 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.972 -4.154 4.098 1.00 0.00 C ATOM 0 H LEU A 78 5.060 -6.655 7.042 1.00 0.00 H new ATOM 0 HA LEU A 78 2.985 -6.826 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.246 -5.164 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.006 -4.203 5.874 1.00 0.00 H new ATOM 0 HG LEU A 78 1.218 -5.382 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.428 -3.082 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.331 -3.712 7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.105 -2.558 6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.984 -3.831 3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.682 -3.337 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.291 -5.009 3.502 1.00 0.00 H new ATOM 1324 N PHE A 79 4.809 -6.727 3.223 1.00 0.00 N ATOM 1325 CA PHE A 79 5.709 -6.504 2.097 1.00 0.00 C ATOM 1326 C PHE A 79 5.052 -5.615 1.043 1.00 0.00 C ATOM 1327 O PHE A 79 4.213 -6.072 0.266 1.00 0.00 O ATOM 1328 CB PHE A 79 6.128 -7.848 1.488 1.00 0.00 C ATOM 1329 CG PHE A 79 6.714 -7.750 0.105 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.539 -6.692 -0.243 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.438 -8.721 -0.845 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.077 -6.604 -1.513 1.00 0.00 C ATOM 1333 CE2 PHE A 79 6.973 -8.638 -2.117 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.793 -7.578 -2.452 1.00 0.00 C ATOM 0 H PHE A 79 4.194 -7.534 3.117 1.00 0.00 H new ATOM 0 HA PHE A 79 6.599 -5.990 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.858 -8.319 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.259 -8.505 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.764 -5.928 0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.798 -9.552 -0.588 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.719 -5.775 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.750 -9.401 -2.848 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.211 -7.510 -3.445 1.00 0.00 H new ATOM 1344 N LEU A 80 5.445 -4.346 1.021 1.00 0.00 N ATOM 1345 CA LEU A 80 4.901 -3.391 0.062 1.00 0.00 C ATOM 1346 C LEU A 80 5.261 -3.794 -1.364 1.00 0.00 C ATOM 1347 O LEU A 80 6.109 -4.660 -1.581 1.00 0.00 O ATOM 1348 CB LEU A 80 5.430 -1.985 0.353 1.00 0.00 C ATOM 1349 CG LEU A 80 4.839 -1.312 1.595 1.00 0.00 C ATOM 1350 CD1 LEU A 80 3.320 -1.331 1.541 1.00 0.00 C ATOM 1351 CD2 LEU A 80 5.337 -1.997 2.858 1.00 0.00 C ATOM 0 H LEU A 80 6.139 -3.954 1.657 1.00 0.00 H new ATOM 0 HA LEU A 80 3.816 -3.391 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.513 -2.038 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.232 -1.353 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 80 5.168 -0.273 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.918 -0.848 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.981 -0.796 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.970 -2.362 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.908 -1.506 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.037 -3.045 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.424 -1.931 2.903 1.00 0.00 H new ATOM 1363 N VAL A 81 4.610 -3.161 -2.334 1.00 0.00 N ATOM 1364 CA VAL A 81 4.860 -3.452 -3.742 1.00 0.00 C ATOM 1365 C VAL A 81 4.912 -2.168 -4.564 1.00 0.00 C ATOM 1366 O VAL A 81 5.960 -1.800 -5.095 1.00 0.00 O ATOM 1367 CB VAL A 81 3.778 -4.386 -4.325 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.063 -4.700 -5.789 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.679 -5.668 -3.507 1.00 0.00 C ATOM 0 H VAL A 81 3.905 -2.442 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 81 5.826 -3.954 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 81 2.819 -3.871 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.287 -5.360 -6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.074 -3.774 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.032 -5.191 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.911 -6.313 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.638 -6.185 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.417 -5.423 -2.478 1.00 0.00 H new ATOM 1379 N ARG A 82 3.773 -1.488 -4.667 1.00 0.00 N ATOM 1380 CA ARG A 82 3.692 -0.244 -5.424 1.00 0.00 C ATOM 1381 C ARG A 82 3.394 0.937 -4.504 1.00 0.00 C ATOM 1382 O ARG A 82 2.959 0.756 -3.367 1.00 0.00 O ATOM 1383 CB ARG A 82 2.610 -0.350 -6.502 1.00 0.00 C ATOM 1384 CG ARG A 82 2.864 0.546 -7.706 1.00 0.00 C ATOM 1385 CD ARG A 82 2.964 -0.254 -8.995 1.00 0.00 C ATOM 1386 NE ARG A 82 4.288 -0.149 -9.604 1.00 0.00 N ATOM 1387 CZ ARG A 82 4.716 -0.937 -10.586 1.00 0.00 C ATOM 1388 NH1 ARG A 82 3.931 -1.888 -11.075 1.00 0.00 N ATOM 1389 NH2 ARG A 82 5.936 -0.774 -11.083 1.00 0.00 N ATOM 0 H ARG A 82 2.895 -1.778 -4.236 1.00 0.00 H new ATOM 0 HA ARG A 82 4.658 -0.075 -5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.542 -1.385 -6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.645 -0.093 -6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.059 1.275 -7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.786 1.106 -7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.742 -1.301 -8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.212 0.099 -9.700 1.00 0.00 H new ATOM 0 HE ARG A 82 4.921 0.571 -9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.992 -2.019 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.266 -2.489 -11.828 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.545 -0.045 -10.712 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.265 -1.378 -11.836 1.00 0.00 H new ATOM 1403 N LEU A 83 3.633 2.144 -5.006 1.00 0.00 N ATOM 1404 CA LEU A 83 3.392 3.356 -4.229 1.00 0.00 C ATOM 1405 C LEU A 83 3.663 4.601 -5.068 1.00 0.00 C ATOM 1406 O LEU A 83 4.787 5.099 -5.111 1.00 0.00 O ATOM 1407 CB LEU A 83 4.271 3.369 -2.977 1.00 0.00 C ATOM 1408 CG LEU A 83 3.911 4.434 -1.938 1.00 0.00 C ATOM 1409 CD1 LEU A 83 4.324 5.814 -2.421 1.00 0.00 C ATOM 1410 CD2 LEU A 83 2.420 4.400 -1.630 1.00 0.00 C ATOM 0 H LEU A 83 3.993 2.310 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 83 2.344 3.363 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.215 2.389 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.307 3.517 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 83 4.456 4.214 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.060 6.557 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.401 5.834 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.808 6.043 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.184 5.164 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.856 4.592 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.152 3.419 -1.237 1.00 0.00 H new ATOM 1422 N GLY A 84 2.626 5.098 -5.734 1.00 0.00 N ATOM 1423 CA GLY A 84 2.776 6.280 -6.562 1.00 0.00 C ATOM 1424 C GLY A 84 1.534 6.584 -7.377 1.00 0.00 C ATOM 1425 O GLY A 84 0.423 6.238 -6.978 1.00 0.00 O ATOM 0 H GLY A 84 1.685 4.704 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.008 7.136 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.623 6.143 -7.235 1.00 0.00 H new ATOM 1429 N SER A 85 1.726 7.231 -8.522 1.00 0.00 N ATOM 1430 CA SER A 85 0.613 7.582 -9.397 1.00 0.00 C ATOM 1431 C SER A 85 0.861 7.081 -10.817 1.00 0.00 C ATOM 1432 O SER A 85 1.987 7.121 -11.313 1.00 0.00 O ATOM 1433 CB SER A 85 0.404 9.097 -9.408 1.00 0.00 C ATOM 1434 OG SER A 85 -0.734 9.449 -10.174 1.00 0.00 O ATOM 0 H SER A 85 2.641 7.523 -8.865 1.00 0.00 H new ATOM 0 HA SER A 85 -0.286 7.101 -9.012 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.285 9.458 -8.387 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.288 9.586 -9.818 1.00 0.00 H new ATOM 0 HG SER A 85 -0.847 10.422 -10.164 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.198 6.608 -11.465 1.00 0.00 N ATOM 1441 CA HIS A 86 -0.094 6.098 -12.829 1.00 0.00 C ATOM 1442 C HIS A 86 0.422 7.178 -13.776 1.00 0.00 C ATOM 1443 O HIS A 86 1.085 6.879 -14.770 1.00 0.00 O ATOM 1444 CB HIS A 86 -1.454 5.584 -13.307 1.00 0.00 C ATOM 1445 CG HIS A 86 -1.416 4.175 -13.813 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -1.297 3.859 -15.149 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -1.479 2.994 -13.153 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -1.290 2.544 -15.289 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -1.398 1.999 -14.093 1.00 0.00 N ATOM 0 H HIS A 86 -1.137 6.567 -11.069 1.00 0.00 H new ATOM 0 HA HIS A 86 0.618 5.273 -12.831 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.167 5.647 -12.485 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.822 6.236 -14.099 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.575 2.861 -12.086 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.210 2.008 -16.223 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -1.418 0.998 -13.898 1.00 0.00 H new ATOM 1458 N SER A 87 0.113 8.432 -13.463 1.00 0.00 N ATOM 1459 CA SER A 87 0.547 9.554 -14.287 1.00 0.00 C ATOM 1460 C SER A 87 1.982 9.951 -13.954 1.00 0.00 C ATOM 1461 O SER A 87 2.724 10.416 -14.819 1.00 0.00 O ATOM 1462 CB SER A 87 -0.386 10.751 -14.088 1.00 0.00 C ATOM 1463 OG SER A 87 -0.591 11.446 -15.306 1.00 0.00 O ATOM 0 H SER A 87 -0.436 8.697 -12.645 1.00 0.00 H new ATOM 0 HA SER A 87 0.509 9.242 -15.331 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.343 10.408 -13.696 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.039 11.428 -13.347 1.00 0.00 H new ATOM 0 HG SER A 87 -1.192 12.205 -15.152 1.00 0.00 H new ATOM 1469 N GLU A 88 2.364 9.764 -12.695 1.00 0.00 N ATOM 1470 CA GLU A 88 3.712 10.101 -12.248 1.00 0.00 C ATOM 1471 C GLU A 88 4.739 9.155 -12.856 1.00 0.00 C ATOM 1472 O GLU A 88 5.757 9.590 -13.396 1.00 0.00 O ATOM 1473 CB GLU A 88 3.792 10.047 -10.721 1.00 0.00 C ATOM 1474 CG GLU A 88 5.050 10.687 -10.155 1.00 0.00 C ATOM 1475 CD GLU A 88 4.888 11.109 -8.709 1.00 0.00 C ATOM 1476 OE1 GLU A 88 4.249 10.362 -7.939 1.00 0.00 O ATOM 1477 OE2 GLU A 88 5.401 12.190 -8.345 1.00 0.00 O ATOM 0 H GLU A 88 1.761 9.382 -11.967 1.00 0.00 H new ATOM 0 HA GLU A 88 3.937 11.114 -12.582 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.919 10.548 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.747 9.006 -10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.878 9.983 -10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.313 11.557 -10.756 1.00 0.00 H new ATOM 1484 N LEU A 89 4.467 7.857 -12.766 1.00 0.00 N ATOM 1485 CA LEU A 89 5.369 6.846 -13.307 1.00 0.00 C ATOM 1486 C LEU A 89 5.570 7.043 -14.807 1.00 0.00 C ATOM 1487 O LEU A 89 6.633 6.737 -15.346 1.00 0.00 O ATOM 1488 CB LEU A 89 4.820 5.445 -13.032 1.00 0.00 C ATOM 1489 CG LEU A 89 5.214 4.851 -11.679 1.00 0.00 C ATOM 1490 CD1 LEU A 89 4.206 5.245 -10.611 1.00 0.00 C ATOM 1491 CD2 LEU A 89 5.325 3.338 -11.777 1.00 0.00 C ATOM 0 H LEU A 89 3.629 7.480 -12.323 1.00 0.00 H new ATOM 0 HA LEU A 89 6.335 6.953 -12.813 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.732 5.479 -13.094 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.164 4.775 -13.820 1.00 0.00 H new ATOM 0 HG LEU A 89 6.188 5.250 -11.395 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.502 4.814 -9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.173 6.331 -10.525 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.219 4.873 -10.887 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.606 2.930 -10.806 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.365 2.922 -12.081 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.084 3.076 -12.514 1.00 0.00 H new