USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 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 80 LYS NZ :NH3+ 155:sc= -0.544 (180deg=-1.94!) USER MOD Set 1.2: A 82 ASN : amide:sc= -2.1 K(o=-2.6,f=-11!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.807 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.0478 K(o=0.048,f=-3.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.34 K(o=-1.3,f=-4.1!) USER MOD Single : A 38 ASN : amide:sc= -2.68 K(o=-2.7,f=-6.5!) USER MOD Single : A 39 MET CE :methyl -146:sc= -0.258 (180deg=-1.66) USER MOD Single : A 43 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.081) USER MOD Single : A 45 SER OG : rot 180:sc= -0.347 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -30:sc= -2.98! USER MOD Single : A 55 HIS : no HE2:sc= -1.84 X(o=-1.8,f=-2.2) USER MOD Single : A 63 SER OG : rot -146:sc= 1.27 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= -0.493 (180deg=-1.84!) USER MOD Single : A 73 CYS SG : rot -131:sc= 0.261 USER MOD Single : A 75 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.1) USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0468) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.619 -2.851 -3.698 1.00 0.00 N ATOM 28 CA THR A 3 6.616 -2.693 -4.750 1.00 0.00 C ATOM 29 C THR A 3 8.029 -2.782 -4.186 1.00 0.00 C ATOM 30 O THR A 3 8.302 -2.362 -3.061 1.00 0.00 O ATOM 31 CB THR A 3 6.451 -1.349 -5.484 1.00 0.00 C ATOM 32 OG1 THR A 3 7.637 -1.049 -6.228 1.00 0.00 O ATOM 33 CG2 THR A 3 6.167 -0.226 -4.498 1.00 0.00 C ATOM 0 HA THR A 3 6.459 -3.506 -5.459 1.00 0.00 H new ATOM 0 HB THR A 3 5.606 -1.434 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.524 -0.194 -6.693 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.054 0.713 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.248 -0.444 -3.953 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.995 -0.142 -3.794 1.00 0.00 H new ATOM 41 N PRO A 4 8.952 -3.339 -4.984 1.00 0.00 N ATOM 42 CA PRO A 4 10.354 -3.494 -4.585 1.00 0.00 C ATOM 43 C PRO A 4 11.086 -2.159 -4.509 1.00 0.00 C ATOM 44 O PRO A 4 11.751 -1.861 -3.517 1.00 0.00 O ATOM 45 CB PRO A 4 10.945 -4.365 -5.697 1.00 0.00 C ATOM 46 CG PRO A 4 10.078 -4.108 -6.881 1.00 0.00 C ATOM 47 CD PRO A 4 8.697 -3.861 -6.337 1.00 0.00 C ATOM 0 HA PRO A 4 10.449 -3.927 -3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.982 -4.098 -5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.936 -5.419 -5.421 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.435 -3.247 -7.446 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.083 -4.960 -7.561 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.147 -3.145 -6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.106 -4.777 -6.310 1.00 0.00 H new ATOM 55 N ARG A 5 10.958 -1.358 -5.561 1.00 0.00 N ATOM 56 CA ARG A 5 11.608 -0.054 -5.613 1.00 0.00 C ATOM 57 C ARG A 5 10.910 0.863 -6.614 1.00 0.00 C ATOM 58 O ARG A 5 10.381 0.404 -7.627 1.00 0.00 O ATOM 59 CB ARG A 5 13.082 -0.210 -5.990 1.00 0.00 C ATOM 60 CG ARG A 5 14.007 -0.335 -4.790 1.00 0.00 C ATOM 61 CD ARG A 5 14.588 -1.736 -4.679 1.00 0.00 C ATOM 62 NE ARG A 5 15.725 -1.786 -3.764 1.00 0.00 N ATOM 63 CZ ARG A 5 16.309 -2.915 -3.378 1.00 0.00 C ATOM 64 NH1 ARG A 5 15.865 -4.081 -3.826 1.00 0.00 N ATOM 65 NH2 ARG A 5 17.339 -2.879 -2.543 1.00 0.00 N ATOM 0 H ARG A 5 10.410 -1.589 -6.390 1.00 0.00 H new ATOM 0 HA ARG A 5 11.539 0.398 -4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.196 -1.092 -6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.389 0.649 -6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.816 0.390 -4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.458 -0.094 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.815 -2.423 -4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.901 -2.078 -5.665 1.00 0.00 H new ATOM 0 HE ARG A 5 16.091 -0.906 -3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.073 -4.113 -4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.315 -4.947 -3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.684 -1.984 -2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.786 -3.747 -2.247 1.00 0.00 H new ATOM 79 N PHE A 6 10.912 2.159 -6.323 1.00 0.00 N ATOM 80 CA PHE A 6 10.278 3.140 -7.196 1.00 0.00 C ATOM 81 C PHE A 6 10.719 4.555 -6.835 1.00 0.00 C ATOM 82 O PHE A 6 10.763 4.922 -5.660 1.00 0.00 O ATOM 83 CB PHE A 6 8.755 3.028 -7.102 1.00 0.00 C ATOM 84 CG PHE A 6 8.183 3.656 -5.864 1.00 0.00 C ATOM 85 CD1 PHE A 6 7.840 4.999 -5.846 1.00 0.00 C ATOM 86 CD2 PHE A 6 7.988 2.904 -4.717 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.314 5.579 -4.707 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.462 3.478 -3.575 1.00 0.00 C ATOM 89 CZ PHE A 6 7.124 4.818 -3.571 1.00 0.00 C ATOM 0 H PHE A 6 11.346 2.555 -5.489 1.00 0.00 H new ATOM 0 HA PHE A 6 10.588 2.933 -8.220 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.309 3.499 -7.978 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.474 1.975 -7.129 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.985 5.599 -6.732 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.250 1.856 -4.715 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.052 6.627 -4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.315 2.880 -2.687 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.712 5.269 -2.680 1.00 0.00 H new ATOM 99 N SER A 7 11.044 5.346 -7.853 1.00 0.00 N ATOM 100 CA SER A 7 11.486 6.719 -7.643 1.00 0.00 C ATOM 101 C SER A 7 10.621 7.695 -8.436 1.00 0.00 C ATOM 102 O SER A 7 10.186 7.393 -9.548 1.00 0.00 O ATOM 103 CB SER A 7 12.953 6.873 -8.050 1.00 0.00 C ATOM 104 OG SER A 7 13.817 6.403 -7.030 1.00 0.00 O ATOM 0 H SER A 7 11.009 5.059 -8.831 1.00 0.00 H new ATOM 0 HA SER A 7 11.385 6.949 -6.582 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.138 6.320 -8.971 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.168 7.921 -8.259 1.00 0.00 H new ATOM 0 HG SER A 7 14.748 6.511 -7.315 1.00 0.00 H new ATOM 110 N ILE A 8 10.377 8.865 -7.857 1.00 0.00 N ATOM 111 CA ILE A 8 9.566 9.886 -8.509 1.00 0.00 C ATOM 112 C ILE A 8 10.414 11.089 -8.908 1.00 0.00 C ATOM 113 O ILE A 8 11.327 11.488 -8.184 1.00 0.00 O ATOM 114 CB ILE A 8 8.418 10.360 -7.598 1.00 0.00 C ATOM 115 CG1 ILE A 8 7.791 9.169 -6.870 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.369 11.102 -8.412 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.653 9.554 -5.951 1.00 0.00 C ATOM 0 H ILE A 8 10.729 9.130 -6.937 1.00 0.00 H new ATOM 0 HA ILE A 8 9.143 9.430 -9.404 1.00 0.00 H new ATOM 0 HB ILE A 8 8.823 11.045 -6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.426 8.454 -7.607 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.561 8.662 -6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.564 11.431 -7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.825 11.969 -8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.965 10.438 -9.176 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.257 8.661 -5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.017 10.245 -5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.864 10.034 -6.530 1.00 0.00 H new ATOM 129 N THR A 9 10.104 11.667 -10.065 1.00 0.00 N ATOM 130 CA THR A 9 10.836 12.826 -10.561 1.00 0.00 C ATOM 131 C THR A 9 9.886 13.960 -10.927 1.00 0.00 C ATOM 132 O THR A 9 8.768 13.722 -11.383 1.00 0.00 O ATOM 133 CB THR A 9 11.688 12.467 -11.792 1.00 0.00 C ATOM 134 OG1 THR A 9 12.524 11.342 -11.498 1.00 0.00 O ATOM 135 CG2 THR A 9 12.549 13.647 -12.217 1.00 0.00 C ATOM 0 H THR A 9 9.351 11.351 -10.676 1.00 0.00 H new ATOM 0 HA THR A 9 11.494 13.153 -9.756 1.00 0.00 H new ATOM 0 HB THR A 9 11.015 12.215 -12.611 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.061 11.119 -12.287 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.142 13.370 -13.088 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.909 14.493 -12.468 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.214 13.925 -11.399 1.00 0.00 H new ATOM 143 N GLN A 10 10.339 15.193 -10.726 1.00 0.00 N ATOM 144 CA GLN A 10 9.527 16.365 -11.036 1.00 0.00 C ATOM 145 C GLN A 10 10.153 17.176 -12.166 1.00 0.00 C ATOM 146 O GLN A 10 11.376 17.272 -12.271 1.00 0.00 O ATOM 147 CB GLN A 10 9.362 17.241 -9.793 1.00 0.00 C ATOM 148 CG GLN A 10 10.682 17.659 -9.165 1.00 0.00 C ATOM 149 CD GLN A 10 11.222 16.624 -8.198 1.00 0.00 C ATOM 150 OE1 GLN A 10 12.007 15.754 -8.577 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.803 16.712 -6.941 1.00 0.00 N ATOM 0 H GLN A 10 11.263 15.407 -10.350 1.00 0.00 H new ATOM 0 HA GLN A 10 8.545 16.021 -11.361 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.797 18.134 -10.060 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.772 16.700 -9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.416 17.833 -9.952 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.547 18.605 -8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.152 17.449 -6.671 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.132 16.042 -6.246 1.00 0.00 H new ATOM 160 N ASP A 11 9.307 17.758 -13.008 1.00 0.00 N ATOM 161 CA ASP A 11 9.777 18.563 -14.130 1.00 0.00 C ATOM 162 C ASP A 11 9.077 19.918 -14.158 1.00 0.00 C ATOM 163 O ASP A 11 8.207 20.195 -13.333 1.00 0.00 O ATOM 164 CB ASP A 11 9.540 17.826 -15.449 1.00 0.00 C ATOM 165 CG ASP A 11 9.768 16.332 -15.326 1.00 0.00 C ATOM 166 OD1 ASP A 11 10.744 15.933 -14.657 1.00 0.00 O ATOM 167 OD2 ASP A 11 8.969 15.561 -15.899 1.00 0.00 O ATOM 0 H ASP A 11 8.292 17.688 -12.935 1.00 0.00 H new ATOM 0 HA ASP A 11 10.847 18.729 -14.002 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.519 18.008 -15.786 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.205 18.230 -16.212 1.00 0.00 H new ATOM 172 N GLU A 12 9.465 20.759 -15.112 1.00 0.00 N ATOM 173 CA GLU A 12 8.875 22.086 -15.244 1.00 0.00 C ATOM 174 C GLU A 12 7.697 22.064 -16.214 1.00 0.00 C ATOM 175 O GLU A 12 7.268 23.105 -16.709 1.00 0.00 O ATOM 176 CB GLU A 12 9.926 23.090 -15.725 1.00 0.00 C ATOM 177 CG GLU A 12 10.392 22.848 -17.151 1.00 0.00 C ATOM 178 CD GLU A 12 11.309 23.943 -17.658 1.00 0.00 C ATOM 179 OE1 GLU A 12 10.849 25.098 -17.772 1.00 0.00 O ATOM 180 OE2 GLU A 12 12.488 23.644 -17.942 1.00 0.00 O ATOM 0 H GLU A 12 10.184 20.545 -15.803 1.00 0.00 H new ATOM 0 HA GLU A 12 8.511 22.393 -14.263 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.514 24.097 -15.652 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.787 23.049 -15.058 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.912 21.891 -17.202 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.524 22.774 -17.806 1.00 0.00 H new ATOM 187 N GLU A 13 7.180 20.868 -16.480 1.00 0.00 N ATOM 188 CA GLU A 13 6.053 20.710 -17.392 1.00 0.00 C ATOM 189 C GLU A 13 5.107 19.618 -16.903 1.00 0.00 C ATOM 190 O GLU A 13 3.886 19.764 -16.966 1.00 0.00 O ATOM 191 CB GLU A 13 6.550 20.376 -18.800 1.00 0.00 C ATOM 192 CG GLU A 13 7.806 19.521 -18.815 1.00 0.00 C ATOM 193 CD GLU A 13 7.904 18.649 -20.052 1.00 0.00 C ATOM 194 OE1 GLU A 13 6.976 18.699 -20.887 1.00 0.00 O ATOM 195 OE2 GLU A 13 8.908 17.919 -20.186 1.00 0.00 O ATOM 0 H GLU A 13 7.523 19.996 -16.078 1.00 0.00 H new ATOM 0 HA GLU A 13 5.508 21.653 -17.421 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.760 19.856 -19.341 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.746 21.304 -19.337 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.682 20.168 -18.761 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.821 18.889 -17.927 1.00 0.00 H new ATOM 202 N PHE A 14 5.679 18.522 -16.415 1.00 0.00 N ATOM 203 CA PHE A 14 4.887 17.404 -15.915 1.00 0.00 C ATOM 204 C PHE A 14 5.685 16.578 -14.910 1.00 0.00 C ATOM 205 O PHE A 14 6.828 16.907 -14.590 1.00 0.00 O ATOM 206 CB PHE A 14 4.433 16.515 -17.075 1.00 0.00 C ATOM 207 CG PHE A 14 5.517 15.621 -17.606 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.638 16.158 -18.218 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.414 14.244 -17.494 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.637 15.338 -18.707 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.410 13.419 -17.981 1.00 0.00 C ATOM 212 CZ PHE A 14 7.523 13.967 -18.590 1.00 0.00 C ATOM 0 H PHE A 14 6.688 18.384 -16.355 1.00 0.00 H new ATOM 0 HA PHE A 14 4.010 17.809 -15.411 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.596 15.900 -16.745 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.065 17.147 -17.884 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.732 17.230 -18.314 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.545 13.810 -17.021 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.507 15.769 -19.180 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.319 12.347 -17.886 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.302 13.324 -18.973 1.00 0.00 H new ATOM 222 N ILE A 15 5.075 15.507 -14.417 1.00 0.00 N ATOM 223 CA ILE A 15 5.728 14.634 -13.449 1.00 0.00 C ATOM 224 C ILE A 15 6.163 13.324 -14.096 1.00 0.00 C ATOM 225 O ILE A 15 5.452 12.765 -14.931 1.00 0.00 O ATOM 226 CB ILE A 15 4.803 14.322 -12.257 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.835 15.470 -11.245 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.212 13.015 -11.597 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.152 15.592 -10.512 1.00 0.00 C ATOM 0 H ILE A 15 4.129 15.222 -14.671 1.00 0.00 H new ATOM 0 HA ILE A 15 6.607 15.167 -13.086 1.00 0.00 H new ATOM 0 HB ILE A 15 3.783 14.216 -12.626 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.629 16.406 -11.763 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.036 15.325 -10.518 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.549 12.809 -10.757 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.142 12.204 -12.322 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.238 13.094 -11.238 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.103 16.426 -9.812 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.351 14.670 -9.965 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.953 15.768 -11.230 1.00 0.00 H new ATOM 241 N PHE A 16 7.336 12.838 -13.704 1.00 0.00 N ATOM 242 CA PHE A 16 7.867 11.592 -14.245 1.00 0.00 C ATOM 243 C PHE A 16 8.127 10.582 -13.131 1.00 0.00 C ATOM 244 O PHE A 16 9.140 10.656 -12.435 1.00 0.00 O ATOM 245 CB PHE A 16 9.159 11.857 -15.020 1.00 0.00 C ATOM 246 CG PHE A 16 9.989 10.625 -15.243 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.438 9.501 -15.837 1.00 0.00 C ATOM 248 CD2 PHE A 16 11.319 10.591 -14.857 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.199 8.366 -16.043 1.00 0.00 C ATOM 250 CE2 PHE A 16 12.085 9.458 -15.061 1.00 0.00 C ATOM 251 CZ PHE A 16 11.524 8.344 -15.654 1.00 0.00 C ATOM 0 H PHE A 16 7.937 13.288 -13.014 1.00 0.00 H new ATOM 0 HA PHE A 16 7.124 11.174 -14.924 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.910 12.297 -15.986 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.754 12.593 -14.478 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.402 9.512 -16.142 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.762 11.459 -14.392 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.758 7.497 -16.508 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.121 9.444 -14.757 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.120 7.458 -15.813 1.00 0.00 H new ATOM 261 N LEU A 17 7.205 9.640 -12.968 1.00 0.00 N ATOM 262 CA LEU A 17 7.333 8.614 -11.939 1.00 0.00 C ATOM 263 C LEU A 17 7.898 7.324 -12.523 1.00 0.00 C ATOM 264 O LEU A 17 7.352 6.770 -13.478 1.00 0.00 O ATOM 265 CB LEU A 17 5.974 8.342 -11.291 1.00 0.00 C ATOM 266 CG LEU A 17 5.798 6.963 -10.655 1.00 0.00 C ATOM 267 CD1 LEU A 17 6.728 6.802 -9.462 1.00 0.00 C ATOM 268 CD2 LEU A 17 4.350 6.749 -10.237 1.00 0.00 C ATOM 0 H LEU A 17 6.361 9.565 -13.535 1.00 0.00 H new ATOM 0 HA LEU A 17 8.024 8.980 -11.180 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.801 9.098 -10.525 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.200 8.472 -12.048 1.00 0.00 H new ATOM 0 HG LEU A 17 6.057 6.207 -11.396 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.588 5.814 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.762 6.911 -9.789 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.501 7.566 -8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.243 5.762 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.064 7.512 -9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.704 6.820 -11.112 1.00 0.00 H new ATOM 280 N LYS A 18 8.994 6.847 -11.942 1.00 0.00 N ATOM 281 CA LYS A 18 9.632 5.620 -12.401 1.00 0.00 C ATOM 282 C LYS A 18 9.454 4.499 -11.382 1.00 0.00 C ATOM 283 O LYS A 18 9.556 4.723 -10.175 1.00 0.00 O ATOM 284 CB LYS A 18 11.122 5.859 -12.656 1.00 0.00 C ATOM 285 CG LYS A 18 12.006 5.507 -11.472 1.00 0.00 C ATOM 286 CD LYS A 18 13.457 5.878 -11.729 1.00 0.00 C ATOM 287 CE LYS A 18 13.625 7.378 -11.912 1.00 0.00 C ATOM 288 NZ LYS A 18 14.965 7.845 -11.460 1.00 0.00 N ATOM 0 H LYS A 18 9.459 7.293 -11.151 1.00 0.00 H new ATOM 0 HA LYS A 18 9.154 5.319 -13.333 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.433 5.270 -13.519 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.274 6.907 -12.914 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.649 6.027 -10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.933 4.439 -11.268 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.073 5.541 -10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.814 5.360 -12.619 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.487 7.633 -12.963 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.850 7.901 -11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.040 8.873 -11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.087 7.624 -10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.704 7.365 -12.012 1.00 0.00 H new ATOM 302 N ILE A 19 9.188 3.294 -11.874 1.00 0.00 N ATOM 303 CA ILE A 19 8.999 2.139 -11.006 1.00 0.00 C ATOM 304 C ILE A 19 9.912 0.988 -11.414 1.00 0.00 C ATOM 305 O ILE A 19 9.928 0.576 -12.574 1.00 0.00 O ATOM 306 CB ILE A 19 7.538 1.652 -11.027 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.584 2.821 -10.768 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.330 0.554 -9.996 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.880 3.313 -12.013 1.00 0.00 C ATOM 0 H ILE A 19 9.098 3.092 -12.870 1.00 0.00 H new ATOM 0 HA ILE A 19 9.253 2.460 -9.996 1.00 0.00 H new ATOM 0 HB ILE A 19 7.322 1.242 -12.014 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.837 2.515 -10.035 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.144 3.646 -10.327 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.293 0.221 -10.024 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.987 -0.286 -10.221 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.561 0.939 -9.003 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.221 4.142 -11.755 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.619 3.650 -12.740 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.292 2.502 -12.443 1.00 0.00 H new ATOM 321 N PHE A 20 10.671 0.473 -10.452 1.00 0.00 N ATOM 322 CA PHE A 20 11.587 -0.632 -10.711 1.00 0.00 C ATOM 323 C PHE A 20 10.897 -1.975 -10.487 1.00 0.00 C ATOM 324 O PHE A 20 10.273 -2.198 -9.449 1.00 0.00 O ATOM 325 CB PHE A 20 12.819 -0.523 -9.810 1.00 0.00 C ATOM 326 CG PHE A 20 13.548 0.783 -9.948 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.414 0.999 -11.007 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.367 1.794 -9.018 1.00 0.00 C ATOM 329 CE1 PHE A 20 15.087 2.200 -11.137 1.00 0.00 C ATOM 330 CE2 PHE A 20 14.037 2.997 -9.143 1.00 0.00 C ATOM 331 CZ PHE A 20 14.898 3.200 -10.203 1.00 0.00 C ATOM 0 H PHE A 20 10.670 0.803 -9.487 1.00 0.00 H new ATOM 0 HA PHE A 20 11.901 -0.574 -11.753 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.513 -0.651 -8.772 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.503 -1.339 -10.043 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.565 0.220 -11.740 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.695 1.641 -8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.759 2.356 -11.968 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.887 3.778 -8.412 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.423 4.139 -10.302 1.00 0.00 H new ATOM 341 N ILE A 21 11.013 -2.863 -11.468 1.00 0.00 N ATOM 342 CA ILE A 21 10.402 -4.183 -11.378 1.00 0.00 C ATOM 343 C ILE A 21 11.205 -5.216 -12.163 1.00 0.00 C ATOM 344 O ILE A 21 12.062 -4.865 -12.973 1.00 0.00 O ATOM 345 CB ILE A 21 8.953 -4.170 -11.903 1.00 0.00 C ATOM 346 CG1 ILE A 21 8.929 -3.805 -13.388 1.00 0.00 C ATOM 347 CG2 ILE A 21 8.108 -3.194 -11.098 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.571 -3.977 -14.031 1.00 0.00 C ATOM 0 H ILE A 21 11.524 -2.693 -12.334 1.00 0.00 H new ATOM 0 HA ILE A 21 10.396 -4.456 -10.323 1.00 0.00 H new ATOM 0 HB ILE A 21 8.530 -5.168 -11.787 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.248 -2.769 -13.504 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.654 -4.424 -13.918 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.087 -3.195 -11.480 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.104 -3.495 -10.050 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.527 -2.192 -11.186 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.629 -3.700 -15.084 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.258 -5.018 -13.946 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.846 -3.338 -13.527 1.00 0.00 H new ATOM 492 N LEU A 31 -2.816 -3.668 -16.635 1.00 0.00 N ATOM 493 CA LEU A 31 -2.093 -2.402 -16.663 1.00 0.00 C ATOM 494 C LEU A 31 -3.031 -1.246 -16.996 1.00 0.00 C ATOM 495 O LEU A 31 -3.609 -1.198 -18.081 1.00 0.00 O ATOM 496 CB LEU A 31 -0.957 -2.463 -17.685 1.00 0.00 C ATOM 497 CG LEU A 31 -0.217 -3.797 -17.787 1.00 0.00 C ATOM 498 CD1 LEU A 31 0.884 -3.718 -18.833 1.00 0.00 C ATOM 499 CD2 LEU A 31 0.358 -4.193 -16.434 1.00 0.00 C ATOM 0 HA LEU A 31 -1.673 -2.230 -15.672 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.365 -2.221 -18.666 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.233 -1.686 -17.440 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.929 -4.563 -18.095 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.400 -4.677 -18.892 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.448 -3.481 -19.803 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.595 -2.940 -18.555 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.881 -5.145 -16.526 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.056 -3.426 -16.097 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.451 -4.292 -15.710 1.00 0.00 H new ATOM 511 N GLU A 32 -3.174 -0.317 -16.056 1.00 0.00 N ATOM 512 CA GLU A 32 -4.041 0.839 -16.252 1.00 0.00 C ATOM 513 C GLU A 32 -3.932 1.806 -15.076 1.00 0.00 C ATOM 514 O GLU A 32 -4.783 1.816 -14.187 1.00 0.00 O ATOM 515 CB GLU A 32 -5.493 0.392 -16.426 1.00 0.00 C ATOM 516 CG GLU A 32 -6.455 1.537 -16.698 1.00 0.00 C ATOM 517 CD GLU A 32 -6.216 2.193 -18.044 1.00 0.00 C ATOM 518 OE1 GLU A 32 -5.578 1.557 -18.909 1.00 0.00 O ATOM 519 OE2 GLU A 32 -6.667 3.342 -18.232 1.00 0.00 O ATOM 0 H GLU A 32 -2.701 -0.342 -15.152 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.717 1.355 -17.156 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.549 -0.321 -17.249 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.813 -0.134 -15.526 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.478 1.164 -16.656 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.356 2.285 -15.911 1.00 0.00 H new ATOM 526 N ILE A 33 -2.879 2.616 -15.080 1.00 0.00 N ATOM 527 CA ILE A 33 -2.659 3.587 -14.015 1.00 0.00 C ATOM 528 C ILE A 33 -3.609 4.772 -14.146 1.00 0.00 C ATOM 529 O ILE A 33 -3.760 5.342 -15.227 1.00 0.00 O ATOM 530 CB ILE A 33 -1.208 4.103 -14.014 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.229 2.937 -13.870 1.00 0.00 C ATOM 532 CG2 ILE A 33 -1.006 5.113 -12.895 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.211 3.321 -14.128 1.00 0.00 C ATOM 0 H ILE A 33 -2.165 2.619 -15.808 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.853 3.072 -13.074 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.014 4.600 -14.965 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.312 2.526 -12.864 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.515 2.145 -14.563 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.024 5.468 -12.907 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.682 5.956 -13.039 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.215 4.640 -11.936 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.848 2.445 -14.008 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.309 3.705 -15.144 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.515 4.091 -13.419 1.00 0.00 H new ATOM 545 N ILE A 34 -4.245 5.140 -13.039 1.00 0.00 N ATOM 546 CA ILE A 34 -5.178 6.260 -13.030 1.00 0.00 C ATOM 547 C ILE A 34 -4.800 7.281 -11.963 1.00 0.00 C ATOM 548 O ILE A 34 -4.377 6.918 -10.865 1.00 0.00 O ATOM 549 CB ILE A 34 -6.623 5.787 -12.785 1.00 0.00 C ATOM 550 CG1 ILE A 34 -7.574 6.985 -12.744 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.707 4.992 -11.490 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.833 7.503 -11.346 1.00 0.00 C ATOM 0 H ILE A 34 -4.131 4.679 -12.136 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.120 6.728 -14.013 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.922 5.137 -13.607 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.158 7.790 -13.350 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.523 6.701 -13.199 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.734 4.664 -11.330 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.054 4.121 -11.555 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.393 5.620 -10.656 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.515 8.352 -11.393 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.278 6.713 -10.742 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.892 7.818 -10.895 1.00 0.00 H new ATOM 564 N ILE A 35 -4.959 8.559 -12.292 1.00 0.00 N ATOM 565 CA ILE A 35 -4.637 9.632 -11.360 1.00 0.00 C ATOM 566 C ILE A 35 -5.900 10.208 -10.728 1.00 0.00 C ATOM 567 O ILE A 35 -6.853 10.554 -11.427 1.00 0.00 O ATOM 568 CB ILE A 35 -3.861 10.767 -12.054 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.610 10.213 -12.740 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.486 11.845 -11.048 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.669 10.282 -14.250 1.00 0.00 C ATOM 0 H ILE A 35 -5.309 8.876 -13.196 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.010 9.197 -10.582 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.502 11.214 -12.814 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.739 10.768 -12.393 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.468 9.176 -12.437 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.938 12.640 -11.554 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.391 12.256 -10.601 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.860 11.412 -10.268 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.750 9.873 -14.669 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.520 9.703 -14.608 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.779 11.320 -14.563 1.00 0.00 H new ATOM 583 N GLN A 36 -5.899 10.310 -9.403 1.00 0.00 N ATOM 584 CA GLN A 36 -7.045 10.846 -8.677 1.00 0.00 C ATOM 585 C GLN A 36 -7.133 12.359 -8.840 1.00 0.00 C ATOM 586 O GLN A 36 -6.405 12.950 -9.637 1.00 0.00 O ATOM 587 CB GLN A 36 -6.949 10.485 -7.194 1.00 0.00 C ATOM 588 CG GLN A 36 -8.114 9.644 -6.696 1.00 0.00 C ATOM 589 CD GLN A 36 -9.460 10.220 -7.090 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.944 11.171 -6.476 1.00 0.00 O ATOM 591 NE2 GLN A 36 -10.072 9.645 -8.118 1.00 0.00 N ATOM 0 H GLN A 36 -5.118 10.029 -8.810 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.949 10.401 -9.094 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.020 9.943 -7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.897 11.402 -6.608 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.025 8.634 -7.095 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.061 9.564 -5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.634 8.859 -8.598 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.981 9.989 -8.428 1.00 0.00 H new ATOM 600 N GLU A 37 -8.029 12.980 -8.080 1.00 0.00 N ATOM 601 CA GLU A 37 -8.213 14.426 -8.142 1.00 0.00 C ATOM 602 C GLU A 37 -6.882 15.151 -7.970 1.00 0.00 C ATOM 603 O GLU A 37 -6.651 16.199 -8.571 1.00 0.00 O ATOM 604 CB GLU A 37 -9.199 14.884 -7.066 1.00 0.00 C ATOM 605 CG GLU A 37 -8.983 14.215 -5.718 1.00 0.00 C ATOM 606 CD GLU A 37 -9.298 15.135 -4.554 1.00 0.00 C ATOM 607 OE1 GLU A 37 -9.870 16.218 -4.791 1.00 0.00 O ATOM 608 OE2 GLU A 37 -8.971 14.769 -3.406 1.00 0.00 O ATOM 0 H GLU A 37 -8.639 12.505 -7.414 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.618 14.673 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.115 15.964 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.215 14.680 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.610 13.325 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.948 13.882 -5.643 1.00 0.00 H new ATOM 615 N ASN A 38 -6.009 14.585 -7.142 1.00 0.00 N ATOM 616 CA ASN A 38 -4.701 15.177 -6.889 1.00 0.00 C ATOM 617 C ASN A 38 -3.623 14.101 -6.805 1.00 0.00 C ATOM 618 O ASN A 38 -2.592 14.188 -7.472 1.00 0.00 O ATOM 619 CB ASN A 38 -4.728 15.989 -5.592 1.00 0.00 C ATOM 620 CG ASN A 38 -5.275 15.193 -4.423 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.485 15.013 -4.292 1.00 0.00 O ATOM 622 ND2 ASN A 38 -4.381 14.712 -3.566 1.00 0.00 N ATOM 0 H ASN A 38 -6.184 13.717 -6.635 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.463 15.840 -7.721 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.719 16.327 -5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.337 16.881 -5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.689 14.168 -2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.387 14.886 -3.715 1.00 0.00 H new ATOM 629 N MET A 39 -3.869 13.087 -5.982 1.00 0.00 N ATOM 630 CA MET A 39 -2.921 11.993 -5.813 1.00 0.00 C ATOM 631 C MET A 39 -2.943 11.062 -7.021 1.00 0.00 C ATOM 632 O MET A 39 -3.802 11.185 -7.894 1.00 0.00 O ATOM 633 CB MET A 39 -3.240 11.204 -4.541 1.00 0.00 C ATOM 634 CG MET A 39 -3.998 9.913 -4.801 1.00 0.00 C ATOM 635 SD MET A 39 -4.868 9.312 -3.340 1.00 0.00 S ATOM 636 CE MET A 39 -3.512 9.154 -2.180 1.00 0.00 C ATOM 0 H MET A 39 -4.717 13.001 -5.422 1.00 0.00 H new ATOM 0 HA MET A 39 -1.923 12.422 -5.725 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.309 10.971 -4.025 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.827 11.832 -3.871 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.715 10.073 -5.606 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.300 9.149 -5.143 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.695 8.306 -1.520 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.582 8.995 -2.726 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.433 10.065 -1.586 1.00 0.00 H new ATOM 646 N ILE A 40 -1.995 10.133 -7.064 1.00 0.00 N ATOM 647 CA ILE A 40 -1.907 9.181 -8.165 1.00 0.00 C ATOM 648 C ILE A 40 -2.113 7.752 -7.675 1.00 0.00 C ATOM 649 O ILE A 40 -1.561 7.352 -6.649 1.00 0.00 O ATOM 650 CB ILE A 40 -0.548 9.275 -8.884 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.390 10.646 -9.545 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.417 8.165 -9.916 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.900 10.797 -10.320 1.00 0.00 C ATOM 0 H ILE A 40 -1.276 10.019 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.699 9.439 -8.868 1.00 0.00 H new ATOM 0 HB ILE A 40 0.246 9.154 -8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.231 10.815 -10.218 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.436 11.418 -8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.548 8.245 -10.416 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.490 7.197 -9.420 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.215 8.257 -10.652 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.945 11.793 -10.761 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.747 10.660 -9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.939 10.048 -11.110 1.00 0.00 H new ATOM 665 N ILE A 41 -2.909 6.987 -8.415 1.00 0.00 N ATOM 666 CA ILE A 41 -3.184 5.602 -8.056 1.00 0.00 C ATOM 667 C ILE A 41 -2.470 4.638 -8.997 1.00 0.00 C ATOM 668 O ILE A 41 -2.698 4.651 -10.207 1.00 0.00 O ATOM 669 CB ILE A 41 -4.695 5.303 -8.084 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.436 6.220 -7.109 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.952 3.842 -7.746 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.928 6.127 -5.687 1.00 0.00 C ATOM 0 H ILE A 41 -3.374 7.303 -9.266 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.812 5.459 -7.042 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.070 5.494 -9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.345 7.251 -7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.497 5.971 -7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.024 3.646 -7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.451 3.206 -8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.566 3.626 -6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.499 6.804 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.044 5.105 -5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.874 6.405 -5.658 1.00 0.00 H new ATOM 684 N PHE A 42 -1.604 3.802 -8.434 1.00 0.00 N ATOM 685 CA PHE A 42 -0.856 2.829 -9.222 1.00 0.00 C ATOM 686 C PHE A 42 -1.538 1.465 -9.192 1.00 0.00 C ATOM 687 O PHE A 42 -1.476 0.749 -8.192 1.00 0.00 O ATOM 688 CB PHE A 42 0.576 2.708 -8.696 1.00 0.00 C ATOM 689 CG PHE A 42 1.385 1.656 -9.399 1.00 0.00 C ATOM 690 CD1 PHE A 42 1.931 1.902 -10.648 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.600 0.420 -8.810 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.677 0.936 -11.297 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.345 -0.549 -9.454 1.00 0.00 C ATOM 694 CZ PHE A 42 2.883 -0.291 -10.699 1.00 0.00 C ATOM 0 H PHE A 42 -1.403 3.779 -7.434 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.828 3.179 -10.254 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.076 3.671 -8.802 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.545 2.480 -7.631 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.772 2.860 -11.120 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.180 0.212 -7.837 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.098 1.141 -12.270 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.506 -1.508 -8.984 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.464 -1.048 -11.204 1.00 0.00 H new ATOM 704 N HIS A 43 -2.189 1.111 -10.296 1.00 0.00 N ATOM 705 CA HIS A 43 -2.883 -0.168 -10.397 1.00 0.00 C ATOM 706 C HIS A 43 -2.085 -1.153 -11.245 1.00 0.00 C ATOM 707 O HIS A 43 -2.303 -2.364 -11.179 1.00 0.00 O ATOM 708 CB HIS A 43 -4.275 0.030 -10.998 1.00 0.00 C ATOM 709 CG HIS A 43 -5.333 -0.808 -10.348 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.679 -0.649 -10.598 1.00 0.00 N ATOM 711 CD2 HIS A 43 -5.235 -1.820 -9.453 1.00 0.00 C ATOM 712 CE1 HIS A 43 -7.365 -1.524 -9.884 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.512 -2.247 -9.181 1.00 0.00 N ATOM 0 H HIS A 43 -2.250 1.691 -11.132 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.984 -0.579 -9.393 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.552 1.081 -10.913 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.239 -0.205 -12.062 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.323 -2.217 -9.032 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.440 -1.630 -9.877 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.761 -3.000 -8.540 1.00 0.00 H new ATOM 721 N LEU A 44 -1.162 -0.628 -12.042 1.00 0.00 N ATOM 722 CA LEU A 44 -0.331 -1.461 -12.905 1.00 0.00 C ATOM 723 C LEU A 44 0.368 -2.551 -12.099 1.00 0.00 C ATOM 724 O LEU A 44 0.619 -2.390 -10.905 1.00 0.00 O ATOM 725 CB LEU A 44 0.706 -0.603 -13.631 1.00 0.00 C ATOM 726 CG LEU A 44 1.033 -1.016 -15.066 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.305 0.209 -15.925 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.225 -1.962 -15.091 1.00 0.00 C ATOM 0 H LEU A 44 -0.969 0.371 -12.109 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.978 -1.937 -13.641 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.351 0.428 -13.643 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.629 -0.616 -13.051 1.00 0.00 H new ATOM 0 HG LEU A 44 0.170 -1.540 -15.478 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.536 -0.105 -16.943 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.424 0.850 -15.934 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.151 0.761 -15.515 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.443 -2.245 -16.121 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.094 -1.464 -14.660 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.993 -2.855 -14.510 1.00 0.00 H new ATOM 740 N SER A 45 0.681 -3.660 -12.761 1.00 0.00 N ATOM 741 CA SER A 45 1.350 -4.778 -12.106 1.00 0.00 C ATOM 742 C SER A 45 0.474 -5.366 -11.004 1.00 0.00 C ATOM 743 O SER A 45 -0.525 -4.777 -10.590 1.00 0.00 O ATOM 744 CB SER A 45 2.690 -4.327 -11.522 1.00 0.00 C ATOM 745 OG SER A 45 3.775 -4.921 -12.215 1.00 0.00 O ATOM 0 H SER A 45 0.482 -3.808 -13.750 1.00 0.00 H new ATOM 0 HA SER A 45 1.529 -5.550 -12.854 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.768 -3.241 -11.580 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.739 -4.594 -10.466 1.00 0.00 H new ATOM 0 HG SER A 45 4.620 -4.615 -11.824 1.00 0.00 H new ATOM 751 N PRO A 46 0.856 -6.556 -10.517 1.00 0.00 N ATOM 752 CA PRO A 46 0.120 -7.250 -9.456 1.00 0.00 C ATOM 753 C PRO A 46 0.245 -6.548 -8.108 1.00 0.00 C ATOM 754 O PRO A 46 -0.383 -6.948 -7.128 1.00 0.00 O ATOM 755 CB PRO A 46 0.785 -8.627 -9.406 1.00 0.00 C ATOM 756 CG PRO A 46 2.160 -8.404 -9.934 1.00 0.00 C ATOM 757 CD PRO A 46 2.036 -7.315 -10.964 1.00 0.00 C ATOM 0 HA PRO A 46 -0.950 -7.285 -9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.810 -9.018 -8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.241 -9.351 -10.012 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.842 -8.111 -9.136 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.561 -9.316 -10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.928 -6.689 -10.996 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.896 -7.723 -11.965 1.00 0.00 H new ATOM 765 N TYR A 47 1.060 -5.499 -8.067 1.00 0.00 N ATOM 766 CA TYR A 47 1.269 -4.743 -6.838 1.00 0.00 C ATOM 767 C TYR A 47 0.611 -3.369 -6.925 1.00 0.00 C ATOM 768 O TYR A 47 0.821 -2.627 -7.885 1.00 0.00 O ATOM 769 CB TYR A 47 2.765 -4.587 -6.559 1.00 0.00 C ATOM 770 CG TYR A 47 3.544 -5.876 -6.696 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.059 -7.063 -6.161 1.00 0.00 C ATOM 772 CD2 TYR A 47 4.765 -5.906 -7.358 1.00 0.00 C ATOM 773 CE1 TYR A 47 3.768 -8.243 -6.283 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.479 -7.081 -7.486 1.00 0.00 C ATOM 775 CZ TYR A 47 4.977 -8.247 -6.947 1.00 0.00 C ATOM 776 OH TYR A 47 5.686 -9.419 -7.071 1.00 0.00 O ATOM 0 H TYR A 47 1.586 -5.154 -8.870 1.00 0.00 H new ATOM 0 HA TYR A 47 0.809 -5.295 -6.019 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.179 -3.848 -7.245 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.899 -4.197 -5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.112 -7.064 -5.641 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.163 -4.995 -7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.378 -9.157 -5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.426 -7.087 -8.006 1.00 0.00 H new ATOM 0 HH TYR A 47 6.514 -9.249 -7.566 1.00 0.00 H new ATOM 786 N TYR A 48 -0.185 -3.037 -5.916 1.00 0.00 N ATOM 787 CA TYR A 48 -0.877 -1.754 -5.877 1.00 0.00 C ATOM 788 C TYR A 48 -0.076 -0.727 -5.082 1.00 0.00 C ATOM 789 O TYR A 48 0.400 -1.011 -3.982 1.00 0.00 O ATOM 790 CB TYR A 48 -2.268 -1.918 -5.264 1.00 0.00 C ATOM 791 CG TYR A 48 -3.045 -0.625 -5.171 1.00 0.00 C ATOM 792 CD1 TYR A 48 -2.953 0.184 -4.044 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.873 -0.212 -6.208 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.662 1.366 -3.954 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.584 0.970 -6.127 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.476 1.755 -4.998 1.00 0.00 C ATOM 797 OH TYR A 48 -5.184 2.932 -4.913 1.00 0.00 O ATOM 0 H TYR A 48 -0.368 -3.639 -5.113 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.980 -1.395 -6.901 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.837 -2.632 -5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.168 -2.345 -4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.316 -0.117 -3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.962 -0.825 -7.092 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.580 1.982 -3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.221 1.278 -6.943 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.399 3.117 -3.975 1.00 0.00 H new ATOM 807 N LEU A 49 0.068 0.467 -5.646 1.00 0.00 N ATOM 808 CA LEU A 49 0.810 1.538 -4.990 1.00 0.00 C ATOM 809 C LEU A 49 -0.013 2.822 -4.945 1.00 0.00 C ATOM 810 O LEU A 49 -0.746 3.134 -5.884 1.00 0.00 O ATOM 811 CB LEU A 49 2.131 1.790 -5.719 1.00 0.00 C ATOM 812 CG LEU A 49 3.363 1.972 -4.831 1.00 0.00 C ATOM 813 CD1 LEU A 49 4.587 2.289 -5.676 1.00 0.00 C ATOM 814 CD2 LEU A 49 3.123 3.068 -3.804 1.00 0.00 C ATOM 0 H LEU A 49 -0.319 0.718 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 49 1.021 1.227 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.315 0.955 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.018 2.681 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 49 3.546 1.038 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.454 2.415 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.771 1.470 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.415 3.209 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.010 3.183 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.914 4.007 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.272 2.800 -3.178 1.00 0.00 H new ATOM 826 N ARG A 50 0.116 3.563 -3.850 1.00 0.00 N ATOM 827 CA ARG A 50 -0.615 4.814 -3.683 1.00 0.00 C ATOM 828 C ARG A 50 0.345 5.977 -3.448 1.00 0.00 C ATOM 829 O ARG A 50 1.060 6.013 -2.446 1.00 0.00 O ATOM 830 CB ARG A 50 -1.596 4.705 -2.515 1.00 0.00 C ATOM 831 CG ARG A 50 -2.594 5.849 -2.449 1.00 0.00 C ATOM 832 CD ARG A 50 -4.010 5.342 -2.226 1.00 0.00 C ATOM 833 NE ARG A 50 -4.368 5.323 -0.810 1.00 0.00 N ATOM 834 CZ ARG A 50 -5.604 5.116 -0.368 1.00 0.00 C ATOM 835 NH1 ARG A 50 -6.593 4.911 -1.226 1.00 0.00 N ATOM 836 NH2 ARG A 50 -5.851 5.113 0.936 1.00 0.00 N ATOM 0 H ARG A 50 0.720 3.319 -3.065 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.173 5.005 -4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.140 3.764 -2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.034 4.670 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.318 6.528 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.553 6.422 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.712 5.976 -2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.104 4.337 -2.637 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.629 5.477 -0.123 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.407 4.912 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.541 4.752 -0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.092 5.270 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.800 4.954 1.275 1.00 0.00 H new ATOM 850 N LEU A 51 0.355 6.926 -4.378 1.00 0.00 N ATOM 851 CA LEU A 51 1.227 8.091 -4.272 1.00 0.00 C ATOM 852 C LEU A 51 0.431 9.334 -3.891 1.00 0.00 C ATOM 853 O LEU A 51 -0.497 9.730 -4.597 1.00 0.00 O ATOM 854 CB LEU A 51 1.960 8.325 -5.594 1.00 0.00 C ATOM 855 CG LEU A 51 2.934 7.229 -6.026 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.704 7.656 -7.266 1.00 0.00 C ATOM 857 CD2 LEU A 51 3.890 6.888 -4.893 1.00 0.00 C ATOM 0 H LEU A 51 -0.230 6.912 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 51 1.958 7.897 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.216 8.453 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.510 9.263 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 51 2.359 6.336 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.392 6.863 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.005 7.848 -8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.267 8.564 -7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.576 6.106 -5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.458 7.776 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.322 6.537 -4.031 1.00 0.00 H new ATOM 869 N ARG A 52 0.800 9.947 -2.771 1.00 0.00 N ATOM 870 CA ARG A 52 0.121 11.147 -2.297 1.00 0.00 C ATOM 871 C ARG A 52 1.066 12.345 -2.303 1.00 0.00 C ATOM 872 O ARG A 52 1.919 12.481 -1.425 1.00 0.00 O ATOM 873 CB ARG A 52 -0.429 10.924 -0.887 1.00 0.00 C ATOM 874 CG ARG A 52 -1.609 11.818 -0.545 1.00 0.00 C ATOM 875 CD ARG A 52 -1.151 13.146 0.038 1.00 0.00 C ATOM 876 NE ARG A 52 -0.911 13.059 1.476 1.00 0.00 N ATOM 877 CZ ARG A 52 -0.821 14.120 2.271 1.00 0.00 C ATOM 878 NH1 ARG A 52 -0.950 15.341 1.771 1.00 0.00 N ATOM 879 NH2 ARG A 52 -0.601 13.959 3.570 1.00 0.00 N ATOM 0 H ARG A 52 1.566 9.632 -2.175 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.707 11.357 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.732 9.882 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.368 11.096 -0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.202 11.998 -1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.257 11.310 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.238 13.466 -0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.906 13.908 -0.158 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.807 12.134 1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.119 15.468 0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.880 16.153 2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.501 13.021 3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.532 14.773 4.180 1.00 0.00 H new ATOM 893 N PHE A 53 0.909 13.211 -3.298 1.00 0.00 N ATOM 894 CA PHE A 53 1.748 14.397 -3.419 1.00 0.00 C ATOM 895 C PHE A 53 1.068 15.612 -2.794 1.00 0.00 C ATOM 896 O PHE A 53 -0.156 15.681 -2.684 1.00 0.00 O ATOM 897 CB PHE A 53 2.064 14.677 -4.890 1.00 0.00 C ATOM 898 CG PHE A 53 2.619 13.488 -5.620 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.391 12.548 -4.955 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.370 13.309 -6.971 1.00 0.00 C ATOM 901 CE1 PHE A 53 3.904 11.453 -5.625 1.00 0.00 C ATOM 902 CE2 PHE A 53 2.880 12.216 -7.646 1.00 0.00 C ATOM 903 CZ PHE A 53 3.647 11.286 -6.972 1.00 0.00 C ATOM 0 H PHE A 53 0.208 13.114 -4.033 1.00 0.00 H new ATOM 0 HA PHE A 53 2.678 14.208 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.155 15.010 -5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.780 15.497 -4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.594 12.673 -3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.770 14.032 -7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.505 10.729 -5.096 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.679 12.089 -8.700 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.045 10.430 -7.497 1.00 0.00 H new ATOM 913 N PRO A 54 1.880 16.593 -2.373 1.00 0.00 N ATOM 914 CA PRO A 54 1.380 17.823 -1.751 1.00 0.00 C ATOM 915 C PRO A 54 0.650 18.719 -2.746 1.00 0.00 C ATOM 916 O PRO A 54 0.043 19.720 -2.365 1.00 0.00 O ATOM 917 CB PRO A 54 2.652 18.508 -1.247 1.00 0.00 C ATOM 918 CG PRO A 54 3.737 17.989 -2.126 1.00 0.00 C ATOM 919 CD PRO A 54 3.349 16.577 -2.472 1.00 0.00 C ATOM 0 HA PRO A 54 0.652 17.617 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.571 19.593 -1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.842 18.269 -0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.836 18.598 -3.025 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.700 18.015 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.681 16.303 -3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.791 15.858 -1.782 1.00 0.00 H new ATOM 927 N HIS A 55 0.714 18.354 -4.022 1.00 0.00 N ATOM 928 CA HIS A 55 0.058 19.126 -5.072 1.00 0.00 C ATOM 929 C HIS A 55 -1.114 18.350 -5.665 1.00 0.00 C ATOM 930 O HIS A 55 -1.480 17.286 -5.168 1.00 0.00 O ATOM 931 CB HIS A 55 1.058 19.483 -6.172 1.00 0.00 C ATOM 932 CG HIS A 55 2.149 20.401 -5.715 1.00 0.00 C ATOM 933 ND1 HIS A 55 2.062 21.775 -5.799 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.357 20.136 -5.165 1.00 0.00 C ATOM 935 CE1 HIS A 55 3.169 22.314 -5.322 1.00 0.00 C ATOM 936 NE2 HIS A 55 3.972 21.341 -4.931 1.00 0.00 N ATOM 0 H HIS A 55 1.213 17.529 -4.354 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.325 20.045 -4.628 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.504 18.566 -6.558 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.524 19.950 -6.999 1.00 0.00 H new ATOM 0 HD1 HIS A 55 1.267 22.294 -6.171 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.762 19.158 -4.950 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.382 23.371 -5.262 1.00 0.00 H new ATOM 944 N GLU A 56 -1.698 18.892 -6.730 1.00 0.00 N ATOM 945 CA GLU A 56 -2.829 18.250 -7.389 1.00 0.00 C ATOM 946 C GLU A 56 -2.561 18.072 -8.880 1.00 0.00 C ATOM 947 O GLU A 56 -2.341 19.044 -9.604 1.00 0.00 O ATOM 948 CB GLU A 56 -4.102 19.073 -7.183 1.00 0.00 C ATOM 949 CG GLU A 56 -3.894 20.568 -7.356 1.00 0.00 C ATOM 950 CD GLU A 56 -5.195 21.347 -7.316 1.00 0.00 C ATOM 951 OE1 GLU A 56 -6.268 20.710 -7.366 1.00 0.00 O ATOM 952 OE2 GLU A 56 -5.140 22.592 -7.234 1.00 0.00 O ATOM 0 H GLU A 56 -1.407 19.773 -7.154 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.965 17.265 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.861 18.736 -7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.490 18.882 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.233 20.932 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.393 20.754 -8.306 1.00 0.00 H new ATOM 959 N LEU A 57 -2.579 16.823 -9.334 1.00 0.00 N ATOM 960 CA LEU A 57 -2.338 16.516 -10.740 1.00 0.00 C ATOM 961 C LEU A 57 -3.650 16.275 -11.478 1.00 0.00 C ATOM 962 O LEU A 57 -4.723 16.271 -10.872 1.00 0.00 O ATOM 963 CB LEU A 57 -1.435 15.288 -10.866 1.00 0.00 C ATOM 964 CG LEU A 57 -0.176 15.288 -9.998 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.111 13.889 -9.474 1.00 0.00 C ATOM 966 CD2 LEU A 57 1.013 15.820 -10.784 1.00 0.00 C ATOM 0 H LEU A 57 -2.758 16.007 -8.749 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.841 17.373 -11.194 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.022 14.403 -10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.133 15.189 -11.909 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.345 15.945 -9.145 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.010 13.908 -8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.732 13.545 -8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.260 13.210 -10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.900 15.813 -10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.184 15.189 -11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.807 16.840 -11.109 1.00 0.00 H new ATOM 978 N ILE A 58 -3.558 16.072 -12.788 1.00 0.00 N ATOM 979 CA ILE A 58 -4.738 15.826 -13.607 1.00 0.00 C ATOM 980 C ILE A 58 -4.487 14.706 -14.611 1.00 0.00 C ATOM 981 O ILE A 58 -3.384 14.569 -15.141 1.00 0.00 O ATOM 982 CB ILE A 58 -5.169 17.094 -14.368 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.392 16.801 -15.239 1.00 0.00 C ATOM 984 CG2 ILE A 58 -4.020 17.619 -15.217 1.00 0.00 C ATOM 985 CD1 ILE A 58 -6.993 18.037 -15.872 1.00 0.00 C ATOM 0 H ILE A 58 -2.679 16.073 -13.305 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.537 15.530 -12.928 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.439 17.862 -13.642 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.109 16.101 -16.025 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.151 16.308 -14.632 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.340 18.515 -15.749 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.174 17.861 -14.574 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.722 16.857 -15.937 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.856 17.754 -16.475 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.308 18.729 -15.091 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.249 18.519 -16.506 1.00 0.00 H new ATOM 997 N ASP A 59 -5.517 13.908 -14.868 1.00 0.00 N ATOM 998 CA ASP A 59 -5.410 12.800 -15.811 1.00 0.00 C ATOM 999 C ASP A 59 -6.038 13.165 -17.152 1.00 0.00 C ATOM 1000 O ASP A 59 -7.248 13.030 -17.339 1.00 0.00 O ATOM 1001 CB ASP A 59 -6.082 11.550 -15.241 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.482 10.565 -16.321 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.589 10.096 -17.057 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.689 10.261 -16.429 1.00 0.00 O ATOM 0 H ASP A 59 -6.436 14.007 -14.437 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.352 12.592 -15.971 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.402 11.062 -14.542 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.966 11.843 -14.674 1.00 0.00 H new ATOM 1009 N ASP A 60 -5.210 13.629 -18.081 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.685 14.013 -19.405 1.00 0.00 C ATOM 1011 C ASP A 60 -5.345 12.942 -20.437 1.00 0.00 C ATOM 1012 O ASP A 60 -4.956 11.829 -20.084 1.00 0.00 O ATOM 1013 CB ASP A 60 -5.073 15.352 -19.821 1.00 0.00 C ATOM 1014 CG ASP A 60 -6.049 16.221 -20.589 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -7.238 16.257 -20.209 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.623 16.867 -21.569 1.00 0.00 O ATOM 0 H ASP A 60 -4.207 13.748 -17.942 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.769 14.116 -19.359 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.737 15.886 -18.932 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.192 15.170 -20.436 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.497 13.286 -21.712 1.00 0.00 N ATOM 1022 CA GLU A 61 -5.208 12.352 -22.794 1.00 0.00 C ATOM 1023 C GLU A 61 -3.713 12.059 -22.875 1.00 0.00 C ATOM 1024 O GLU A 61 -3.303 10.982 -23.307 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.703 12.914 -24.128 1.00 0.00 C ATOM 1026 CG GLU A 61 -5.102 14.265 -24.479 1.00 0.00 C ATOM 1027 CD GLU A 61 -5.910 15.008 -25.526 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -6.111 14.451 -26.625 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -6.342 16.145 -25.245 1.00 0.00 O ATOM 0 H GLU A 61 -5.818 14.204 -22.021 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.732 11.419 -22.585 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.469 12.204 -24.921 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.789 13.006 -24.094 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.035 14.874 -23.577 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.085 14.122 -24.844 1.00 0.00 H new ATOM 1036 N ARG A 62 -2.903 13.027 -22.458 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.453 12.875 -22.485 1.00 0.00 C ATOM 1038 C ARG A 62 -0.998 11.821 -21.480 1.00 0.00 C ATOM 1039 O ARG A 62 -0.010 11.122 -21.704 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.773 14.211 -22.181 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.356 14.931 -20.976 1.00 0.00 C ATOM 1042 CD ARG A 62 -1.993 16.255 -21.372 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.017 17.340 -21.415 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.472 17.794 -22.539 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -0.806 17.260 -23.705 1.00 0.00 N ATOM 1046 NH2 ARG A 62 0.409 18.785 -22.496 1.00 0.00 N ATOM 0 H ARG A 62 -3.226 13.925 -22.097 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.166 12.548 -23.484 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.290 14.038 -22.011 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.855 14.858 -23.055 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.101 14.296 -20.497 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.570 15.109 -20.242 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.465 16.153 -22.349 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.782 16.505 -20.662 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.738 17.773 -20.535 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.483 16.498 -23.742 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.386 17.611 -24.566 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.668 19.199 -21.600 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.827 19.133 -23.359 1.00 0.00 H new ATOM 1060 N SER A 63 -1.726 11.712 -20.373 1.00 0.00 N ATOM 1061 CA SER A 63 -1.395 10.746 -19.332 1.00 0.00 C ATOM 1062 C SER A 63 -1.226 9.349 -19.921 1.00 0.00 C ATOM 1063 O SER A 63 -2.056 8.887 -20.705 1.00 0.00 O ATOM 1064 CB SER A 63 -2.483 10.731 -18.257 1.00 0.00 C ATOM 1065 OG SER A 63 -3.496 9.791 -18.571 1.00 0.00 O ATOM 0 H SER A 63 -2.549 12.281 -20.174 1.00 0.00 H new ATOM 0 HA SER A 63 -0.450 11.046 -18.879 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.041 10.486 -17.291 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.921 11.725 -18.164 1.00 0.00 H new ATOM 0 HG SER A 63 -4.362 10.128 -18.261 1.00 0.00 H new ATOM 1071 N THR A 64 -0.143 8.680 -19.539 1.00 0.00 N ATOM 1072 CA THR A 64 0.138 7.336 -20.029 1.00 0.00 C ATOM 1073 C THR A 64 1.431 6.792 -19.432 1.00 0.00 C ATOM 1074 O THR A 64 2.238 7.544 -18.887 1.00 0.00 O ATOM 1075 CB THR A 64 0.244 7.309 -21.565 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.588 5.992 -22.009 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.286 8.303 -22.053 1.00 0.00 C ATOM 0 H THR A 64 0.554 9.047 -18.891 1.00 0.00 H new ATOM 0 HA THR A 64 -0.695 6.706 -19.719 1.00 0.00 H new ATOM 0 HB THR A 64 -0.724 7.590 -21.979 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.652 5.983 -22.987 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.343 8.266 -23.141 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.005 9.308 -21.738 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.258 8.049 -21.630 1.00 0.00 H new ATOM 1085 N ALA A 65 1.621 5.481 -19.540 1.00 0.00 N ATOM 1086 CA ALA A 65 2.818 4.837 -19.013 1.00 0.00 C ATOM 1087 C ALA A 65 3.457 3.928 -20.057 1.00 0.00 C ATOM 1088 O ALA A 65 2.761 3.270 -20.829 1.00 0.00 O ATOM 1089 CB ALA A 65 2.483 4.047 -17.757 1.00 0.00 C ATOM 0 H ALA A 65 0.962 4.844 -19.988 1.00 0.00 H new ATOM 0 HA ALA A 65 3.537 5.616 -18.758 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.386 3.572 -17.375 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.079 4.720 -17.001 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.743 3.282 -17.995 1.00 0.00 H new ATOM 1095 N GLN A 66 4.786 3.898 -20.075 1.00 0.00 N ATOM 1096 CA GLN A 66 5.518 3.070 -21.026 1.00 0.00 C ATOM 1097 C GLN A 66 6.431 2.086 -20.301 1.00 0.00 C ATOM 1098 O GLN A 66 7.156 2.460 -19.379 1.00 0.00 O ATOM 1099 CB GLN A 66 6.342 3.948 -21.970 1.00 0.00 C ATOM 1100 CG GLN A 66 5.567 5.128 -22.535 1.00 0.00 C ATOM 1101 CD GLN A 66 5.951 5.447 -23.966 1.00 0.00 C ATOM 1102 OE1 GLN A 66 7.132 5.569 -24.291 1.00 0.00 O ATOM 1103 NE2 GLN A 66 4.953 5.584 -24.831 1.00 0.00 N ATOM 0 H GLN A 66 5.377 4.437 -19.442 1.00 0.00 H new ATOM 0 HA GLN A 66 4.793 2.503 -21.609 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.216 4.320 -21.436 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.709 3.336 -22.794 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.500 4.912 -22.489 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.742 6.005 -21.912 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.988 5.474 -24.518 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.151 5.799 -25.808 1.00 0.00 H new ATOM 1112 N TYR A 67 6.390 0.828 -20.725 1.00 0.00 N ATOM 1113 CA TYR A 67 7.212 -0.211 -20.114 1.00 0.00 C ATOM 1114 C TYR A 67 8.593 -0.262 -20.759 1.00 0.00 C ATOM 1115 O TYR A 67 8.718 -0.372 -21.979 1.00 0.00 O ATOM 1116 CB TYR A 67 6.526 -1.572 -20.241 1.00 0.00 C ATOM 1117 CG TYR A 67 7.422 -2.737 -19.882 1.00 0.00 C ATOM 1118 CD1 TYR A 67 8.302 -2.656 -18.810 1.00 0.00 C ATOM 1119 CD2 TYR A 67 7.389 -3.916 -20.615 1.00 0.00 C ATOM 1120 CE1 TYR A 67 9.123 -3.717 -18.478 1.00 0.00 C ATOM 1121 CE2 TYR A 67 8.205 -4.983 -20.290 1.00 0.00 C ATOM 1122 CZ TYR A 67 9.070 -4.878 -19.221 1.00 0.00 C ATOM 1123 OH TYR A 67 9.886 -5.937 -18.895 1.00 0.00 O ATOM 0 H TYR A 67 5.797 0.503 -21.489 1.00 0.00 H new ATOM 0 HA TYR A 67 7.334 0.030 -19.058 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.647 -1.588 -19.597 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.173 -1.698 -21.265 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.345 -1.748 -18.226 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.714 -4.001 -21.454 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.802 -3.638 -17.642 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.166 -5.893 -20.870 1.00 0.00 H new ATOM 0 HH TYR A 67 9.724 -6.678 -19.516 1.00 0.00 H new ATOM 1133 N ASP A 68 9.629 -0.181 -19.931 1.00 0.00 N ATOM 1134 CA ASP A 68 11.002 -0.220 -20.418 1.00 0.00 C ATOM 1135 C ASP A 68 11.638 -1.580 -20.146 1.00 0.00 C ATOM 1136 O ASP A 68 11.729 -2.015 -18.998 1.00 0.00 O ATOM 1137 CB ASP A 68 11.831 0.885 -19.760 1.00 0.00 C ATOM 1138 CG ASP A 68 11.937 2.124 -20.627 1.00 0.00 C ATOM 1139 OD1 ASP A 68 10.958 2.437 -21.336 1.00 0.00 O ATOM 1140 OD2 ASP A 68 12.999 2.780 -20.598 1.00 0.00 O ATOM 0 H ASP A 68 9.543 -0.088 -18.919 1.00 0.00 H new ATOM 0 HA ASP A 68 10.983 -0.057 -21.496 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.381 1.152 -18.804 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.831 0.507 -19.548 1.00 0.00 H new ATOM 1145 N SER A 69 12.074 -2.247 -21.209 1.00 0.00 N ATOM 1146 CA SER A 69 12.696 -3.560 -21.086 1.00 0.00 C ATOM 1147 C SER A 69 14.188 -3.429 -20.795 1.00 0.00 C ATOM 1148 O SER A 69 14.752 -4.203 -20.021 1.00 0.00 O ATOM 1149 CB SER A 69 12.484 -4.371 -22.366 1.00 0.00 C ATOM 1150 OG SER A 69 13.021 -5.676 -22.237 1.00 0.00 O ATOM 0 H SER A 69 12.008 -1.900 -22.166 1.00 0.00 H new ATOM 0 HA SER A 69 12.225 -4.081 -20.252 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.419 -4.433 -22.589 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.956 -3.861 -23.206 1.00 0.00 H new ATOM 0 HG SER A 69 12.872 -6.175 -23.067 1.00 0.00 H new ATOM 1156 N LYS A 70 14.822 -2.444 -21.421 1.00 0.00 N ATOM 1157 CA LYS A 70 16.249 -2.208 -21.230 1.00 0.00 C ATOM 1158 C LYS A 70 16.591 -2.113 -19.747 1.00 0.00 C ATOM 1159 O LYS A 70 17.696 -2.463 -19.331 1.00 0.00 O ATOM 1160 CB LYS A 70 16.674 -0.924 -21.946 1.00 0.00 C ATOM 1161 CG LYS A 70 15.887 0.302 -21.515 1.00 0.00 C ATOM 1162 CD LYS A 70 16.613 1.077 -20.428 1.00 0.00 C ATOM 1163 CE LYS A 70 15.685 2.059 -19.730 1.00 0.00 C ATOM 1164 NZ LYS A 70 16.389 2.827 -18.666 1.00 0.00 N ATOM 0 H LYS A 70 14.370 -1.795 -22.066 1.00 0.00 H new ATOM 0 HA LYS A 70 16.792 -3.052 -21.656 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.734 -0.749 -21.761 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.557 -1.061 -23.021 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.721 0.950 -22.376 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.906 -0.004 -21.152 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.025 0.381 -19.697 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.454 1.616 -20.864 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.270 2.751 -20.463 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.846 1.518 -19.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.805 2.843 -17.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.302 2.374 -18.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.552 3.801 -18.991 1.00 0.00 H new ATOM 1178 N ASP A 71 15.636 -1.640 -18.953 1.00 0.00 N ATOM 1179 CA ASP A 71 15.836 -1.502 -17.515 1.00 0.00 C ATOM 1180 C ASP A 71 14.784 -2.292 -16.743 1.00 0.00 C ATOM 1181 O ASP A 71 14.841 -2.384 -15.517 1.00 0.00 O ATOM 1182 CB ASP A 71 15.783 -0.028 -17.111 1.00 0.00 C ATOM 1183 CG ASP A 71 16.096 0.181 -15.642 1.00 0.00 C ATOM 1184 OD1 ASP A 71 16.780 -0.682 -15.053 1.00 0.00 O ATOM 1185 OD2 ASP A 71 15.656 1.206 -15.081 1.00 0.00 O ATOM 0 H ASP A 71 14.716 -1.346 -19.281 1.00 0.00 H new ATOM 0 HA ASP A 71 16.819 -1.903 -17.269 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.493 0.537 -17.715 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.792 0.370 -17.329 1.00 0.00 H new ATOM 1190 N GLU A 72 13.825 -2.859 -17.468 1.00 0.00 N ATOM 1191 CA GLU A 72 12.760 -3.640 -16.850 1.00 0.00 C ATOM 1192 C GLU A 72 11.964 -2.789 -15.865 1.00 0.00 C ATOM 1193 O GLU A 72 11.365 -3.308 -14.922 1.00 0.00 O ATOM 1194 CB GLU A 72 13.342 -4.859 -16.132 1.00 0.00 C ATOM 1195 CG GLU A 72 14.416 -5.580 -16.930 1.00 0.00 C ATOM 1196 CD GLU A 72 15.817 -5.137 -16.556 1.00 0.00 C ATOM 1197 OE1 GLU A 72 16.047 -4.841 -15.365 1.00 0.00 O ATOM 1198 OE2 GLU A 72 16.683 -5.086 -17.455 1.00 0.00 O ATOM 0 H GLU A 72 13.764 -2.792 -18.484 1.00 0.00 H new ATOM 0 HA GLU A 72 12.088 -3.978 -17.639 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.762 -4.542 -15.177 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.536 -5.558 -15.909 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.323 -6.654 -16.769 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.254 -5.402 -17.993 1.00 0.00 H new ATOM 1205 N CYS A 73 11.961 -1.480 -16.091 1.00 0.00 N ATOM 1206 CA CYS A 73 11.239 -0.555 -15.224 1.00 0.00 C ATOM 1207 C CYS A 73 10.049 0.058 -15.954 1.00 0.00 C ATOM 1208 O CYS A 73 10.000 0.066 -17.185 1.00 0.00 O ATOM 1209 CB CYS A 73 12.175 0.549 -14.730 1.00 0.00 C ATOM 1210 SG CYS A 73 12.703 1.701 -16.021 1.00 0.00 S ATOM 0 H CYS A 73 12.450 -1.035 -16.867 1.00 0.00 H new ATOM 0 HA CYS A 73 10.866 -1.115 -14.367 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.674 1.109 -13.941 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.057 0.090 -14.284 1.00 0.00 H new ATOM 0 HG CYS A 73 13.994 1.849 -15.969 1.00 0.00 H new ATOM 1216 N ILE A 74 9.091 0.570 -15.188 1.00 0.00 N ATOM 1217 CA ILE A 74 7.901 1.184 -15.762 1.00 0.00 C ATOM 1218 C ILE A 74 7.943 2.702 -15.620 1.00 0.00 C ATOM 1219 O ILE A 74 8.261 3.227 -14.554 1.00 0.00 O ATOM 1220 CB ILE A 74 6.617 0.653 -15.099 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.572 -0.875 -15.174 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.389 1.258 -15.762 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.388 -1.405 -16.579 1.00 0.00 C ATOM 0 H ILE A 74 9.116 0.571 -14.168 1.00 0.00 H new ATOM 0 HA ILE A 74 7.889 0.920 -16.820 1.00 0.00 H new ATOM 0 HB ILE A 74 6.620 0.946 -14.049 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.496 -1.279 -14.760 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.757 -1.238 -14.548 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.489 0.873 -15.282 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.418 2.343 -15.661 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.378 0.993 -16.819 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.365 -2.495 -16.557 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.450 -1.031 -16.989 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.216 -1.072 -17.205 1.00 0.00 H new ATOM 1235 N ASN A 75 7.618 3.401 -16.703 1.00 0.00 N ATOM 1236 CA ASN A 75 7.617 4.860 -16.698 1.00 0.00 C ATOM 1237 C ASN A 75 6.192 5.403 -16.749 1.00 0.00 C ATOM 1238 O ASN A 75 5.429 5.090 -17.663 1.00 0.00 O ATOM 1239 CB ASN A 75 8.422 5.395 -17.885 1.00 0.00 C ATOM 1240 CG ASN A 75 9.752 4.686 -18.047 1.00 0.00 C ATOM 1241 OD1 ASN A 75 10.787 5.171 -17.590 1.00 0.00 O ATOM 1242 ND2 ASN A 75 9.731 3.531 -18.702 1.00 0.00 N ATOM 0 H ASN A 75 7.352 2.982 -17.594 1.00 0.00 H new ATOM 0 HA ASN A 75 8.082 5.196 -15.771 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.838 5.280 -18.798 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.596 6.463 -17.751 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.596 3.009 -18.843 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.850 3.166 -19.064 1.00 0.00 H new ATOM 1249 N VAL A 76 5.841 6.220 -15.761 1.00 0.00 N ATOM 1250 CA VAL A 76 4.508 6.809 -15.694 1.00 0.00 C ATOM 1251 C VAL A 76 4.573 8.328 -15.807 1.00 0.00 C ATOM 1252 O VAL A 76 5.273 8.990 -15.040 1.00 0.00 O ATOM 1253 CB VAL A 76 3.794 6.432 -14.383 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.322 6.811 -14.449 1.00 0.00 C ATOM 1255 CG2 VAL A 76 3.958 4.948 -14.095 1.00 0.00 C ATOM 0 H VAL A 76 6.460 6.489 -14.996 1.00 0.00 H new ATOM 0 HA VAL A 76 3.942 6.409 -16.535 1.00 0.00 H new ATOM 0 HB VAL A 76 4.252 6.990 -13.566 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.833 6.537 -13.514 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.230 7.886 -14.605 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.847 6.282 -15.275 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.447 4.699 -13.165 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.527 4.369 -14.912 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.018 4.710 -14.002 1.00 0.00 H new ATOM 1265 N LYS A 77 3.838 8.876 -16.768 1.00 0.00 N ATOM 1266 CA LYS A 77 3.808 10.318 -16.981 1.00 0.00 C ATOM 1267 C LYS A 77 2.439 10.893 -16.633 1.00 0.00 C ATOM 1268 O LYS A 77 1.408 10.285 -16.923 1.00 0.00 O ATOM 1269 CB LYS A 77 4.156 10.647 -18.435 1.00 0.00 C ATOM 1270 CG LYS A 77 2.969 10.556 -19.379 1.00 0.00 C ATOM 1271 CD LYS A 77 2.273 11.899 -19.530 1.00 0.00 C ATOM 1272 CE LYS A 77 2.889 12.723 -20.650 1.00 0.00 C ATOM 1273 NZ LYS A 77 2.654 14.181 -20.459 1.00 0.00 N ATOM 0 H LYS A 77 3.254 8.343 -17.413 1.00 0.00 H new ATOM 0 HA LYS A 77 4.550 10.771 -16.324 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.571 11.654 -18.482 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.935 9.965 -18.777 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.305 10.207 -20.355 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.260 9.818 -19.004 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.214 11.740 -19.734 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.338 12.451 -18.592 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.961 12.531 -20.695 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.468 12.409 -21.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.999 14.700 -21.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.636 14.356 -20.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.163 14.507 -19.613 1.00 0.00 H new ATOM 1287 N VAL A 78 2.436 12.067 -16.010 1.00 0.00 N ATOM 1288 CA VAL A 78 1.193 12.724 -15.624 1.00 0.00 C ATOM 1289 C VAL A 78 1.324 14.241 -15.710 1.00 0.00 C ATOM 1290 O VAL A 78 2.288 14.820 -15.210 1.00 0.00 O ATOM 1291 CB VAL A 78 0.772 12.336 -14.194 1.00 0.00 C ATOM 1292 CG1 VAL A 78 1.920 12.559 -13.221 1.00 0.00 C ATOM 1293 CG2 VAL A 78 -0.458 13.122 -13.769 1.00 0.00 C ATOM 0 H VAL A 78 3.280 12.583 -15.762 1.00 0.00 H new ATOM 0 HA VAL A 78 0.427 12.388 -16.323 1.00 0.00 H new ATOM 0 HB VAL A 78 0.519 11.276 -14.183 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.604 12.280 -12.216 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.772 11.947 -13.517 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.207 13.610 -13.232 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.741 12.835 -12.756 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.235 14.189 -13.795 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.281 12.907 -14.451 1.00 0.00 H new ATOM 1303 N ALA A 79 0.347 14.879 -16.346 1.00 0.00 N ATOM 1304 CA ALA A 79 0.351 16.329 -16.495 1.00 0.00 C ATOM 1305 C ALA A 79 -0.011 17.016 -15.183 1.00 0.00 C ATOM 1306 O ALA A 79 -0.799 16.494 -14.393 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.610 16.749 -17.596 1.00 0.00 C ATOM 0 H ALA A 79 -0.458 14.414 -16.766 1.00 0.00 H new ATOM 0 HA ALA A 79 1.359 16.639 -16.771 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.597 17.834 -17.696 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.305 16.294 -18.538 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.618 16.420 -17.344 1.00 0.00 H new ATOM 1313 N LYS A 80 0.568 18.190 -14.956 1.00 0.00 N ATOM 1314 CA LYS A 80 0.306 18.950 -13.739 1.00 0.00 C ATOM 1315 C LYS A 80 -0.682 20.081 -14.007 1.00 0.00 C ATOM 1316 O LYS A 80 -0.814 20.549 -15.139 1.00 0.00 O ATOM 1317 CB LYS A 80 1.611 19.521 -13.179 1.00 0.00 C ATOM 1318 CG LYS A 80 2.079 18.834 -11.908 1.00 0.00 C ATOM 1319 CD LYS A 80 1.139 19.111 -10.746 1.00 0.00 C ATOM 1320 CE LYS A 80 1.466 20.432 -10.068 1.00 0.00 C ATOM 1321 NZ LYS A 80 0.311 20.956 -9.288 1.00 0.00 N ATOM 0 H LYS A 80 1.222 18.636 -15.599 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.132 18.274 -13.005 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.390 19.435 -13.937 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.477 20.584 -12.979 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.143 17.759 -12.077 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.082 19.178 -11.656 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.110 19.130 -11.105 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.208 18.301 -10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.321 20.298 -9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.758 21.164 -10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.657 21.580 -8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.319 21.493 -9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.214 20.162 -8.869 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.372 20.518 -12.960 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.347 21.596 -13.081 1.00 0.00 C ATOM 1337 C LEU A 81 -1.654 22.934 -13.316 1.00 0.00 C ATOM 1338 O LEU A 81 -2.219 23.838 -13.929 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.214 21.671 -11.823 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.165 20.496 -11.592 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -5.020 20.736 -10.357 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.042 20.271 -12.815 1.00 0.00 C ATOM 0 H LEU A 81 -1.274 20.142 -12.017 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.983 21.382 -13.940 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.557 21.756 -10.958 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.804 22.587 -11.867 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.569 19.598 -11.427 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.690 19.890 -10.209 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.376 20.846 -9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.607 21.644 -10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.712 19.431 -12.633 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.629 21.168 -13.012 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.413 20.053 -13.678 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.424 23.051 -12.825 1.00 0.00 N ATOM 1355 CA ASN A 82 0.348 24.278 -12.982 1.00 0.00 C ATOM 1356 C ASN A 82 1.763 23.973 -13.463 1.00 0.00 C ATOM 1357 O ASN A 82 2.455 23.128 -12.895 1.00 0.00 O ATOM 1358 CB ASN A 82 0.401 25.045 -11.659 1.00 0.00 C ATOM 1359 CG ASN A 82 0.210 24.139 -10.457 1.00 0.00 C ATOM 1360 OD1 ASN A 82 1.178 23.705 -9.833 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -1.044 23.849 -10.129 1.00 0.00 N ATOM 0 H ASN A 82 0.059 22.311 -12.315 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.146 24.895 -13.732 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.360 25.556 -11.577 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -0.371 25.814 -11.657 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.235 23.244 -9.331 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.816 24.232 -10.675 1.00 0.00 H new ATOM 1368 N LYS A 83 2.188 24.668 -14.513 1.00 0.00 N ATOM 1369 CA LYS A 83 3.521 24.474 -15.071 1.00 0.00 C ATOM 1370 C LYS A 83 4.581 25.119 -14.184 1.00 0.00 C ATOM 1371 O LYS A 83 4.273 25.976 -13.357 1.00 0.00 O ATOM 1372 CB LYS A 83 3.595 25.060 -16.483 1.00 0.00 C ATOM 1373 CG LYS A 83 4.770 24.542 -17.295 1.00 0.00 C ATOM 1374 CD LYS A 83 4.518 24.677 -18.787 1.00 0.00 C ATOM 1375 CE LYS A 83 5.233 23.589 -19.574 1.00 0.00 C ATOM 1376 NZ LYS A 83 5.690 24.076 -20.905 1.00 0.00 N ATOM 0 H LYS A 83 1.628 25.371 -14.995 1.00 0.00 H new ATOM 0 HA LYS A 83 3.716 23.403 -15.119 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.670 24.831 -17.011 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.662 26.146 -16.414 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.671 25.093 -17.026 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.951 23.496 -17.049 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.447 24.625 -18.982 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.857 25.656 -19.127 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.091 23.233 -19.004 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.564 22.739 -19.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.172 23.305 -21.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.869 24.393 -21.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.348 24.871 -20.777 1.00 0.00 H new ATOM 1390 N ASN A 84 5.830 24.702 -14.364 1.00 0.00 N ATOM 1391 CA ASN A 84 6.936 25.241 -13.581 1.00 0.00 C ATOM 1392 C ASN A 84 6.749 24.940 -12.097 1.00 0.00 C ATOM 1393 O ASN A 84 7.384 25.558 -11.244 1.00 0.00 O ATOM 1394 CB ASN A 84 7.052 26.752 -13.795 1.00 0.00 C ATOM 1395 CG ASN A 84 8.079 27.108 -14.853 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.899 28.005 -14.659 1.00 0.00 O ATOM 1397 ND2 ASN A 84 8.037 26.405 -15.979 1.00 0.00 N ATOM 0 H ASN A 84 6.101 23.993 -15.045 1.00 0.00 H new ATOM 0 HA ASN A 84 7.855 24.761 -13.919 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.080 27.151 -14.087 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.323 27.230 -12.854 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.702 26.600 -16.727 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.339 25.670 -16.096 1.00 0.00 H new ATOM 1404 N GLU A 85 5.874 23.985 -11.798 1.00 0.00 N ATOM 1405 CA GLU A 85 5.603 23.602 -10.418 1.00 0.00 C ATOM 1406 C GLU A 85 6.490 22.435 -9.993 1.00 0.00 C ATOM 1407 O GLU A 85 6.684 21.482 -10.748 1.00 0.00 O ATOM 1408 CB GLU A 85 4.130 23.225 -10.248 1.00 0.00 C ATOM 1409 CG GLU A 85 3.751 22.877 -8.819 1.00 0.00 C ATOM 1410 CD GLU A 85 3.276 24.082 -8.031 1.00 0.00 C ATOM 1411 OE1 GLU A 85 4.011 25.091 -7.991 1.00 0.00 O ATOM 1412 OE2 GLU A 85 2.171 24.017 -7.454 1.00 0.00 O ATOM 0 H GLU A 85 5.341 23.463 -12.493 1.00 0.00 H new ATOM 0 HA GLU A 85 5.827 24.458 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.510 24.055 -10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.905 22.375 -10.892 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.965 22.122 -8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.611 22.435 -8.316 1.00 0.00 H new ATOM 1419 N TYR A 86 7.025 22.517 -8.780 1.00 0.00 N ATOM 1420 CA TYR A 86 7.894 21.470 -8.256 1.00 0.00 C ATOM 1421 C TYR A 86 7.237 20.756 -7.078 1.00 0.00 C ATOM 1422 O TYR A 86 6.106 21.067 -6.701 1.00 0.00 O ATOM 1423 CB TYR A 86 9.237 22.061 -7.823 1.00 0.00 C ATOM 1424 CG TYR A 86 9.181 22.781 -6.494 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.730 24.093 -6.410 1.00 0.00 C ATOM 1426 CD2 TYR A 86 9.579 22.149 -5.322 1.00 0.00 C ATOM 1427 CE1 TYR A 86 8.678 24.754 -5.199 1.00 0.00 C ATOM 1428 CE2 TYR A 86 9.530 22.803 -4.106 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.079 24.105 -4.050 1.00 0.00 C ATOM 1430 OH TYR A 86 9.028 24.760 -2.841 1.00 0.00 O ATOM 0 H TYR A 86 6.872 23.297 -8.141 1.00 0.00 H new ATOM 0 HA TYR A 86 8.064 20.743 -9.050 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.974 21.260 -7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.583 22.755 -8.589 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.415 24.604 -7.308 1.00 0.00 H new ATOM 0 HD2 TYR A 86 9.933 21.129 -5.362 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.325 25.774 -5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 86 9.843 22.297 -3.204 1.00 0.00 H new ATOM 0 HH TYR A 86 9.344 24.162 -2.132 1.00 0.00 H new ATOM 1440 N PHE A 87 7.954 19.798 -6.501 1.00 0.00 N ATOM 1441 CA PHE A 87 7.441 19.039 -5.366 1.00 0.00 C ATOM 1442 C PHE A 87 8.488 18.941 -4.260 1.00 0.00 C ATOM 1443 O PHE A 87 9.689 19.008 -4.520 1.00 0.00 O ATOM 1444 CB PHE A 87 7.022 17.636 -5.811 1.00 0.00 C ATOM 1445 CG PHE A 87 5.870 17.633 -6.776 1.00 0.00 C ATOM 1446 CD1 PHE A 87 6.036 18.086 -8.074 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.622 17.176 -6.383 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.977 18.085 -8.963 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.560 17.172 -7.268 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.738 17.626 -8.560 1.00 0.00 C ATOM 0 H PHE A 87 8.891 19.529 -6.800 1.00 0.00 H new ATOM 0 HA PHE A 87 6.570 19.564 -4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.875 17.140 -6.274 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.751 17.050 -4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.003 18.444 -8.395 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.478 16.819 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.118 18.443 -9.972 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.592 16.814 -6.949 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.910 17.622 -9.254 1.00 0.00 H new ATOM 1460 N GLU A 88 8.022 18.784 -3.025 1.00 0.00 N ATOM 1461 CA GLU A 88 8.918 18.679 -1.879 1.00 0.00 C ATOM 1462 C GLU A 88 8.644 17.403 -1.089 1.00 0.00 C ATOM 1463 O GLU A 88 9.059 17.271 0.062 1.00 0.00 O ATOM 1464 CB GLU A 88 8.761 19.899 -0.968 1.00 0.00 C ATOM 1465 CG GLU A 88 9.931 20.866 -1.039 1.00 0.00 C ATOM 1466 CD GLU A 88 10.698 20.951 0.266 1.00 0.00 C ATOM 1467 OE1 GLU A 88 10.317 21.774 1.125 1.00 0.00 O ATOM 1468 OE2 GLU A 88 11.679 20.196 0.429 1.00 0.00 O ATOM 0 H GLU A 88 7.031 18.727 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 88 9.941 18.642 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.847 20.428 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.642 19.561 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.608 20.554 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.563 21.857 -1.305 1.00 0.00 H new ATOM 1475 N ASP A 89 7.943 16.465 -1.717 1.00 0.00 N ATOM 1476 CA ASP A 89 7.613 15.198 -1.075 1.00 0.00 C ATOM 1477 C ASP A 89 8.217 14.026 -1.843 1.00 0.00 C ATOM 1478 O ASP A 89 8.520 12.982 -1.265 1.00 0.00 O ATOM 1479 CB ASP A 89 6.096 15.032 -0.975 1.00 0.00 C ATOM 1480 CG ASP A 89 5.479 15.953 0.058 1.00 0.00 C ATOM 1481 OD1 ASP A 89 5.954 17.101 0.188 1.00 0.00 O ATOM 1482 OD2 ASP A 89 4.521 15.527 0.738 1.00 0.00 O ATOM 0 H ASP A 89 7.592 16.558 -2.670 1.00 0.00 H new ATOM 0 HA ASP A 89 8.036 15.207 -0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.647 15.230 -1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.863 13.998 -0.721 1.00 0.00 H new ATOM 1487 N LEU A 90 8.388 14.206 -3.147 1.00 0.00 N ATOM 1488 CA LEU A 90 8.954 13.164 -3.996 1.00 0.00 C ATOM 1489 C LEU A 90 10.350 12.772 -3.520 1.00 0.00 C ATOM 1490 O LEU A 90 10.838 11.684 -3.824 1.00 0.00 O ATOM 1491 CB LEU A 90 9.013 13.637 -5.449 1.00 0.00 C ATOM 1492 CG LEU A 90 7.713 14.198 -6.026 1.00 0.00 C ATOM 1493 CD1 LEU A 90 7.884 14.537 -7.498 1.00 0.00 C ATOM 1494 CD2 LEU A 90 6.574 13.208 -5.834 1.00 0.00 C ATOM 0 H LEU A 90 8.143 15.064 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 90 8.308 12.288 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.783 14.404 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.331 12.800 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 90 7.466 15.114 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.948 14.935 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.671 15.283 -7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.156 13.637 -8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.657 13.624 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.813 12.275 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.435 13.015 -4.770 1.00 0.00 H new ATOM 1506 N ASP A 91 10.985 13.666 -2.769 1.00 0.00 N ATOM 1507 CA ASP A 91 12.323 13.413 -2.247 1.00 0.00 C ATOM 1508 C ASP A 91 12.319 12.219 -1.297 1.00 0.00 C ATOM 1509 O ASP A 91 13.331 11.536 -1.137 1.00 0.00 O ATOM 1510 CB ASP A 91 12.855 14.652 -1.527 1.00 0.00 C ATOM 1511 CG ASP A 91 14.210 14.414 -0.889 1.00 0.00 C ATOM 1512 OD1 ASP A 91 15.044 13.724 -1.511 1.00 0.00 O ATOM 1513 OD2 ASP A 91 14.436 14.918 0.231 1.00 0.00 O ATOM 0 H ASP A 91 10.595 14.572 -2.508 1.00 0.00 H new ATOM 0 HA ASP A 91 12.977 13.183 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.930 15.476 -2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.144 14.956 -0.759 1.00 0.00 H new ATOM 1518 N LEU A 92 11.175 11.974 -0.668 1.00 0.00 N ATOM 1519 CA LEU A 92 11.039 10.863 0.267 1.00 0.00 C ATOM 1520 C LEU A 92 10.050 9.827 -0.257 1.00 0.00 C ATOM 1521 O LEU A 92 8.869 10.109 -0.463 1.00 0.00 O ATOM 1522 CB LEU A 92 10.582 11.375 1.634 1.00 0.00 C ATOM 1523 CG LEU A 92 11.275 12.639 2.144 1.00 0.00 C ATOM 1524 CD1 LEU A 92 12.763 12.595 1.831 1.00 0.00 C ATOM 1525 CD2 LEU A 92 10.637 13.879 1.535 1.00 0.00 C ATOM 0 H LEU A 92 10.328 12.530 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 92 12.014 10.387 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.510 11.566 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.733 10.582 2.366 1.00 0.00 H new ATOM 0 HG LEU A 92 11.153 12.686 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.240 13.503 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.211 11.727 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.906 12.524 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.143 14.769 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.728 13.839 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.583 13.918 1.810 1.00 0.00 H new ATOM 1537 N PRO A 93 10.540 8.599 -0.478 1.00 0.00 N ATOM 1538 CA PRO A 93 9.715 7.495 -0.978 1.00 0.00 C ATOM 1539 C PRO A 93 8.704 7.012 0.056 1.00 0.00 C ATOM 1540 O PRO A 93 7.840 6.186 -0.243 1.00 0.00 O ATOM 1541 CB PRO A 93 10.738 6.396 -1.279 1.00 0.00 C ATOM 1542 CG PRO A 93 11.889 6.694 -0.383 1.00 0.00 C ATOM 1543 CD PRO A 93 11.938 8.192 -0.255 1.00 0.00 C ATOM 0 HA PRO A 93 9.119 7.790 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.326 5.407 -1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.038 6.411 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.757 6.223 0.591 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.819 6.307 -0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.294 8.500 0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.608 8.637 -0.991 1.00 0.00 H new ATOM 1551 N THR A 94 8.815 7.533 1.274 1.00 0.00 N ATOM 1552 CA THR A 94 7.911 7.154 2.353 1.00 0.00 C ATOM 1553 C THR A 94 6.733 8.117 2.446 1.00 0.00 C ATOM 1554 O THR A 94 5.609 7.713 2.744 1.00 0.00 O ATOM 1555 CB THR A 94 8.639 7.118 3.710 1.00 0.00 C ATOM 1556 OG1 THR A 94 9.472 8.274 3.849 1.00 0.00 O ATOM 1557 CG2 THR A 94 9.484 5.859 3.837 1.00 0.00 C ATOM 0 H THR A 94 9.522 8.219 1.538 1.00 0.00 H new ATOM 0 HA THR A 94 7.543 6.155 2.121 1.00 0.00 H new ATOM 0 HB THR A 94 7.889 7.114 4.501 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.930 8.245 4.715 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.989 5.855 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.843 4.981 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.227 5.837 3.040 1.00 0.00 H new ATOM 1565 N LYS A 95 6.997 9.394 2.188 1.00 0.00 N ATOM 1566 CA LYS A 95 5.958 10.416 2.241 1.00 0.00 C ATOM 1567 C LYS A 95 4.747 10.005 1.410 1.00 0.00 C ATOM 1568 O LYS A 95 3.606 10.296 1.771 1.00 0.00 O ATOM 1569 CB LYS A 95 6.505 11.754 1.738 1.00 0.00 C ATOM 1570 CG LYS A 95 7.415 12.452 2.734 1.00 0.00 C ATOM 1571 CD LYS A 95 6.658 13.484 3.553 1.00 0.00 C ATOM 1572 CE LYS A 95 7.299 14.860 3.447 1.00 0.00 C ATOM 1573 NZ LYS A 95 6.926 15.735 4.592 1.00 0.00 N ATOM 0 H LYS A 95 7.922 9.746 1.940 1.00 0.00 H new ATOM 0 HA LYS A 95 5.643 10.526 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.054 11.587 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.669 12.412 1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.861 11.714 3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.233 12.937 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.625 13.535 3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.632 13.173 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.383 14.754 3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.992 15.333 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.383 16.663 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.893 15.857 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.241 15.297 5.481 1.00 0.00 H new ATOM 1587 N LEU A 96 5.002 9.326 0.297 1.00 0.00 N ATOM 1588 CA LEU A 96 3.932 8.873 -0.585 1.00 0.00 C ATOM 1589 C LEU A 96 3.182 7.696 0.030 1.00 0.00 C ATOM 1590 O LEU A 96 1.952 7.637 -0.017 1.00 0.00 O ATOM 1591 CB LEU A 96 4.502 8.474 -1.947 1.00 0.00 C ATOM 1592 CG LEU A 96 5.312 9.547 -2.676 1.00 0.00 C ATOM 1593 CD1 LEU A 96 4.781 10.933 -2.346 1.00 0.00 C ATOM 1594 CD2 LEU A 96 6.786 9.439 -2.315 1.00 0.00 C ATOM 0 H LEU A 96 5.940 9.077 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 96 3.231 9.697 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.137 7.598 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.675 8.172 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 96 5.208 9.387 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.370 11.683 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.738 11.006 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.854 11.104 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.347 10.210 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.908 9.573 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.160 8.457 -2.603 1.00 0.00 H new ATOM 1606 N LEU A 97 3.929 6.761 0.607 1.00 0.00 N ATOM 1607 CA LEU A 97 3.334 5.585 1.233 1.00 0.00 C ATOM 1608 C LEU A 97 2.489 5.980 2.440 1.00 0.00 C ATOM 1609 O LEU A 97 1.339 5.562 2.568 1.00 0.00 O ATOM 1610 CB LEU A 97 4.427 4.603 1.661 1.00 0.00 C ATOM 1611 CG LEU A 97 4.876 3.596 0.601 1.00 0.00 C ATOM 1612 CD1 LEU A 97 3.692 2.779 0.106 1.00 0.00 C ATOM 1613 CD2 LEU A 97 5.556 4.309 -0.558 1.00 0.00 C ATOM 0 H LEU A 97 4.947 6.794 0.654 1.00 0.00 H new ATOM 0 HA LEU A 97 2.686 5.102 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.297 5.176 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.071 4.051 2.531 1.00 0.00 H new ATOM 0 HG LEU A 97 5.596 2.916 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.030 2.068 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.248 2.238 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.948 3.445 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.869 3.577 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.858 5.013 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.429 4.849 -0.191 1.00 0.00 H new