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 64 THR OG1 : rot -110:sc= -0.0317 USER MOD Set 1.2: A 66 GLN : amide:sc= -0.0178 X(o=-0.05,f=-0.32) USER MOD Single : A 3 THR OG1 : rot 110:sc= -0.972 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 135:sc= 0.162 USER MOD Single : A 10 GLN : amide:sc= -0.7 K(o=-0.7,f=-3.5!) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 0.395 (180deg=0.227) USER MOD Single : A 36 GLN : amide:sc= 0.0519 K(o=0.052,f=-6.5!) USER MOD Single : A 38 ASN : amide:sc= -2.51 K(o=-2.5,f=-6.4!) USER MOD Single : A 39 MET CE :methyl -141:sc= -2.54! (180deg=-4.58!) USER MOD Single : A 43 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.064) USER MOD Single : A 45 SER OG : rot 180:sc= 0.539 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -140:sc= -3.99! USER MOD Single : A 55 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 63 SER OG : rot -172:sc= 1.02 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+ -116:sc= 0.552 (180deg=0) USER MOD Single : A 73 CYS SG : rot 33:sc= 0.907 USER MOD Single : A 75 ASN : amide:sc= -2.21 K(o=-2.2,f=-8.6!) USER MOD Single : A 77 LYS NZ :NH3+ -154:sc= -0.12 (180deg=-1.12) USER MOD Single : A 80 LYS NZ :NH3+ -153:sc= -1.04 (180deg=-2.58!) USER MOD Single : A 82 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.014) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.788 K(o=-0.79,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.354 -2.835 -4.137 1.00 0.00 N ATOM 28 CA THR A 3 6.441 -2.746 -5.105 1.00 0.00 C ATOM 29 C THR A 3 7.798 -2.818 -4.415 1.00 0.00 C ATOM 30 O THR A 3 7.976 -2.348 -3.291 1.00 0.00 O ATOM 31 CB THR A 3 6.361 -1.442 -5.921 1.00 0.00 C ATOM 32 OG1 THR A 3 7.606 -1.203 -6.587 1.00 0.00 O ATOM 33 CG2 THR A 3 6.026 -0.261 -5.022 1.00 0.00 C ATOM 0 HA THR A 3 6.334 -3.595 -5.780 1.00 0.00 H new ATOM 0 HB THR A 3 5.569 -1.551 -6.662 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.491 -1.332 -7.552 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.975 0.649 -5.620 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.064 -0.433 -4.539 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.799 -0.152 -4.261 1.00 0.00 H new ATOM 41 N PRO A 4 8.781 -3.419 -5.103 1.00 0.00 N ATOM 42 CA PRO A 4 10.141 -3.565 -4.576 1.00 0.00 C ATOM 43 C PRO A 4 10.878 -2.233 -4.496 1.00 0.00 C ATOM 44 O PRO A 4 11.465 -1.898 -3.467 1.00 0.00 O ATOM 45 CB PRO A 4 10.817 -4.491 -5.590 1.00 0.00 C ATOM 46 CG PRO A 4 10.059 -4.283 -6.856 1.00 0.00 C ATOM 47 CD PRO A 4 8.640 -4.001 -6.448 1.00 0.00 C ATOM 0 HA PRO A 4 10.144 -3.952 -3.557 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.871 -4.241 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.772 -5.531 -5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.473 -3.452 -7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.114 -5.166 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.154 -3.309 -7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.038 -4.910 -6.432 1.00 0.00 H new ATOM 55 N ARG A 5 10.843 -1.476 -5.588 1.00 0.00 N ATOM 56 CA ARG A 5 11.509 -0.180 -5.642 1.00 0.00 C ATOM 57 C ARG A 5 10.851 0.727 -6.677 1.00 0.00 C ATOM 58 O ARG A 5 10.253 0.252 -7.643 1.00 0.00 O ATOM 59 CB ARG A 5 12.992 -0.358 -5.973 1.00 0.00 C ATOM 60 CG ARG A 5 13.875 -0.520 -4.746 1.00 0.00 C ATOM 61 CD ARG A 5 14.341 -1.958 -4.580 1.00 0.00 C ATOM 62 NE ARG A 5 15.656 -2.038 -3.951 1.00 0.00 N ATOM 63 CZ ARG A 5 16.793 -1.784 -4.589 1.00 0.00 C ATOM 64 NH1 ARG A 5 16.775 -1.436 -5.869 1.00 0.00 N ATOM 65 NH2 ARG A 5 17.951 -1.879 -3.948 1.00 0.00 N ATOM 0 H ARG A 5 10.360 -1.738 -6.448 1.00 0.00 H new ATOM 0 HA ARG A 5 11.416 0.289 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.110 -1.232 -6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.334 0.505 -6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.741 0.137 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.325 -0.210 -3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.617 -2.506 -3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.376 -2.443 -5.556 1.00 0.00 H new ATOM 0 HE ARG A 5 15.704 -2.304 -2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 5 15.887 -1.363 -6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.649 -1.241 -6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 5 17.969 -2.147 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.823 -1.684 -4.439 1.00 0.00 H new ATOM 79 N PHE A 6 10.965 2.034 -6.468 1.00 0.00 N ATOM 80 CA PHE A 6 10.379 3.008 -7.382 1.00 0.00 C ATOM 81 C PHE A 6 10.909 4.410 -7.095 1.00 0.00 C ATOM 82 O PHE A 6 11.087 4.793 -5.939 1.00 0.00 O ATOM 83 CB PHE A 6 8.854 2.994 -7.268 1.00 0.00 C ATOM 84 CG PHE A 6 8.347 3.485 -5.942 1.00 0.00 C ATOM 85 CD1 PHE A 6 8.073 4.829 -5.745 1.00 0.00 C ATOM 86 CD2 PHE A 6 8.146 2.603 -4.893 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.606 5.284 -4.526 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.679 3.052 -3.672 1.00 0.00 C ATOM 89 CZ PHE A 6 7.410 4.394 -3.488 1.00 0.00 C ATOM 0 H PHE A 6 11.458 2.443 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 6 10.662 2.732 -8.398 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.433 3.613 -8.061 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.495 1.978 -7.432 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.226 5.529 -6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 6 8.357 1.553 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.395 6.334 -4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.525 2.354 -2.863 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.047 4.747 -2.534 1.00 0.00 H new ATOM 99 N SER A 7 11.159 5.171 -8.156 1.00 0.00 N ATOM 100 CA SER A 7 11.672 6.529 -8.019 1.00 0.00 C ATOM 101 C SER A 7 10.767 7.527 -8.734 1.00 0.00 C ATOM 102 O SER A 7 10.264 7.254 -9.825 1.00 0.00 O ATOM 103 CB SER A 7 13.093 6.619 -8.580 1.00 0.00 C ATOM 104 OG SER A 7 14.033 6.874 -7.551 1.00 0.00 O ATOM 0 H SER A 7 11.015 4.870 -9.120 1.00 0.00 H new ATOM 0 HA SER A 7 11.691 6.778 -6.958 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.347 5.688 -9.086 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.143 7.411 -9.327 1.00 0.00 H new ATOM 0 HG SER A 7 14.933 6.925 -7.935 1.00 0.00 H new ATOM 110 N ILE A 8 10.563 8.683 -8.112 1.00 0.00 N ATOM 111 CA ILE A 8 9.719 9.722 -8.689 1.00 0.00 C ATOM 112 C ILE A 8 10.548 10.929 -9.115 1.00 0.00 C ATOM 113 O ILE A 8 11.503 11.312 -8.438 1.00 0.00 O ATOM 114 CB ILE A 8 8.635 10.182 -7.697 1.00 0.00 C ATOM 115 CG1 ILE A 8 8.076 8.983 -6.927 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.521 10.913 -8.431 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.924 9.336 -6.012 1.00 0.00 C ATOM 0 H ILE A 8 10.971 8.924 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 8 9.237 9.287 -9.565 1.00 0.00 H new ATOM 0 HB ILE A 8 9.086 10.871 -6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.745 8.227 -7.639 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.875 8.537 -6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.762 11.232 -7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.931 11.786 -8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.070 10.245 -9.165 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.579 8.438 -5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.255 10.070 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.107 9.755 -6.600 1.00 0.00 H new ATOM 129 N THR A 9 10.175 11.529 -10.241 1.00 0.00 N ATOM 130 CA THR A 9 10.882 12.694 -10.758 1.00 0.00 C ATOM 131 C THR A 9 9.915 13.829 -11.073 1.00 0.00 C ATOM 132 O THR A 9 8.782 13.592 -11.492 1.00 0.00 O ATOM 133 CB THR A 9 11.682 12.348 -12.028 1.00 0.00 C ATOM 134 OG1 THR A 9 12.378 11.110 -11.847 1.00 0.00 O ATOM 135 CG2 THR A 9 12.676 13.451 -12.359 1.00 0.00 C ATOM 0 H THR A 9 9.386 11.227 -10.813 1.00 0.00 H new ATOM 0 HA THR A 9 11.573 13.016 -9.979 1.00 0.00 H new ATOM 0 HB THR A 9 10.981 12.252 -12.857 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.272 10.555 -12.648 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.229 13.184 -13.260 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.140 14.386 -12.526 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.372 13.575 -11.529 1.00 0.00 H new ATOM 143 N GLN A 10 10.370 15.061 -10.871 1.00 0.00 N ATOM 144 CA GLN A 10 9.543 16.233 -11.135 1.00 0.00 C ATOM 145 C GLN A 10 10.096 17.037 -12.307 1.00 0.00 C ATOM 146 O GLN A 10 11.310 17.136 -12.486 1.00 0.00 O ATOM 147 CB GLN A 10 9.461 17.116 -9.889 1.00 0.00 C ATOM 148 CG GLN A 10 10.819 17.505 -9.328 1.00 0.00 C ATOM 149 CD GLN A 10 11.387 16.456 -8.392 1.00 0.00 C ATOM 150 OE1 GLN A 10 12.187 15.613 -8.798 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.974 16.502 -7.131 1.00 0.00 N ATOM 0 H GLN A 10 11.306 15.274 -10.526 1.00 0.00 H new ATOM 0 HA GLN A 10 8.542 15.889 -11.395 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.905 18.021 -10.132 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.896 16.591 -9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.515 17.667 -10.151 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.730 18.452 -8.795 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.310 17.218 -6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.321 15.821 -6.456 1.00 0.00 H new ATOM 160 N ASP A 11 9.198 17.608 -13.102 1.00 0.00 N ATOM 161 CA ASP A 11 9.597 18.404 -14.257 1.00 0.00 C ATOM 162 C ASP A 11 8.900 19.761 -14.248 1.00 0.00 C ATOM 163 O ASP A 11 8.077 20.041 -13.377 1.00 0.00 O ATOM 164 CB ASP A 11 9.273 17.659 -15.553 1.00 0.00 C ATOM 165 CG ASP A 11 9.466 16.161 -15.423 1.00 0.00 C ATOM 166 OD1 ASP A 11 10.449 15.744 -14.776 1.00 0.00 O ATOM 167 OD2 ASP A 11 8.636 15.406 -15.970 1.00 0.00 O ATOM 0 H ASP A 11 8.189 17.535 -12.968 1.00 0.00 H new ATOM 0 HA ASP A 11 10.673 18.568 -14.201 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.242 17.866 -15.840 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.909 18.036 -16.354 1.00 0.00 H new ATOM 172 N GLU A 12 9.236 20.600 -15.223 1.00 0.00 N ATOM 173 CA GLU A 12 8.643 21.928 -15.326 1.00 0.00 C ATOM 174 C GLU A 12 7.406 21.905 -16.219 1.00 0.00 C ATOM 175 O GLU A 12 6.949 22.945 -16.690 1.00 0.00 O ATOM 176 CB GLU A 12 9.664 22.926 -15.876 1.00 0.00 C ATOM 177 CG GLU A 12 10.062 22.657 -17.318 1.00 0.00 C ATOM 178 CD GLU A 12 10.833 23.807 -17.935 1.00 0.00 C ATOM 179 OE1 GLU A 12 11.420 24.603 -17.172 1.00 0.00 O ATOM 180 OE2 GLU A 12 10.850 23.912 -19.179 1.00 0.00 O ATOM 0 H GLU A 12 9.915 20.384 -15.952 1.00 0.00 H new ATOM 0 HA GLU A 12 8.342 22.241 -14.326 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.251 23.932 -15.803 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.557 22.902 -15.251 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.670 21.753 -17.361 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.166 22.467 -17.909 1.00 0.00 H new ATOM 187 N GLU A 13 6.871 20.709 -16.447 1.00 0.00 N ATOM 188 CA GLU A 13 5.688 20.550 -17.285 1.00 0.00 C ATOM 189 C GLU A 13 4.779 19.452 -16.741 1.00 0.00 C ATOM 190 O GLU A 13 3.557 19.598 -16.715 1.00 0.00 O ATOM 191 CB GLU A 13 6.095 20.224 -18.724 1.00 0.00 C ATOM 192 CG GLU A 13 7.352 19.377 -18.823 1.00 0.00 C ATOM 193 CD GLU A 13 8.615 20.214 -18.898 1.00 0.00 C ATOM 194 OE1 GLU A 13 8.652 21.161 -19.710 1.00 0.00 O ATOM 195 OE2 GLU A 13 9.565 19.921 -18.142 1.00 0.00 O ATOM 0 H GLU A 13 7.237 19.838 -16.064 1.00 0.00 H new ATOM 0 HA GLU A 13 5.138 21.491 -17.275 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.275 19.701 -19.215 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.251 21.155 -19.269 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.409 18.716 -17.958 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.289 18.741 -19.706 1.00 0.00 H new ATOM 202 N PHE A 14 5.385 18.352 -16.307 1.00 0.00 N ATOM 203 CA PHE A 14 4.632 17.227 -15.764 1.00 0.00 C ATOM 204 C PHE A 14 5.494 16.404 -14.812 1.00 0.00 C ATOM 205 O PHE A 14 6.660 16.724 -14.580 1.00 0.00 O ATOM 206 CB PHE A 14 4.113 16.339 -16.897 1.00 0.00 C ATOM 207 CG PHE A 14 5.205 15.701 -17.707 1.00 0.00 C ATOM 208 CD1 PHE A 14 5.893 16.429 -18.663 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.543 14.371 -17.511 1.00 0.00 C ATOM 210 CE1 PHE A 14 6.899 15.844 -19.410 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.548 13.781 -18.254 1.00 0.00 C ATOM 212 CZ PHE A 14 7.226 14.518 -19.205 1.00 0.00 C ATOM 0 H PHE A 14 6.396 18.215 -16.321 1.00 0.00 H new ATOM 0 HA PHE A 14 3.784 17.625 -15.206 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.481 15.558 -16.475 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.484 16.936 -17.557 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.641 17.466 -18.827 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.015 13.789 -16.770 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.428 16.423 -20.152 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.803 12.744 -18.091 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.011 14.058 -19.787 1.00 0.00 H new ATOM 222 N ILE A 15 4.911 15.343 -14.264 1.00 0.00 N ATOM 223 CA ILE A 15 5.626 14.473 -13.338 1.00 0.00 C ATOM 224 C ILE A 15 6.045 13.173 -14.016 1.00 0.00 C ATOM 225 O ILE A 15 5.301 12.614 -14.822 1.00 0.00 O ATOM 226 CB ILE A 15 4.769 14.141 -12.102 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.833 15.285 -11.088 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.234 12.838 -11.469 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.191 15.444 -10.441 1.00 0.00 C ATOM 0 H ILE A 15 3.946 15.065 -14.445 1.00 0.00 H new ATOM 0 HA ILE A 15 6.515 15.016 -13.019 1.00 0.00 H new ATOM 0 HB ILE A 15 3.733 14.019 -12.419 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.566 16.217 -11.586 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.087 15.114 -10.312 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.619 12.617 -10.597 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.141 12.028 -12.193 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.276 12.934 -11.163 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.162 16.273 -9.734 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.452 14.527 -9.914 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.938 15.647 -11.208 1.00 0.00 H new ATOM 241 N PHE A 16 7.239 12.696 -13.683 1.00 0.00 N ATOM 242 CA PHE A 16 7.758 11.461 -14.259 1.00 0.00 C ATOM 243 C PHE A 16 8.011 10.419 -13.174 1.00 0.00 C ATOM 244 O PHE A 16 9.039 10.450 -12.495 1.00 0.00 O ATOM 245 CB PHE A 16 9.050 11.736 -15.031 1.00 0.00 C ATOM 246 CG PHE A 16 9.873 10.504 -15.280 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.298 9.372 -15.834 1.00 0.00 C ATOM 248 CD2 PHE A 16 11.221 10.479 -14.960 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.052 8.237 -16.066 1.00 0.00 C ATOM 250 CE2 PHE A 16 11.980 9.347 -15.189 1.00 0.00 C ATOM 251 CZ PHE A 16 11.395 8.224 -15.741 1.00 0.00 C ATOM 0 H PHE A 16 7.866 13.146 -13.017 1.00 0.00 H new ATOM 0 HA PHE A 16 7.010 11.068 -14.947 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.802 12.197 -15.987 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.649 12.458 -14.476 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.248 9.376 -16.088 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.684 11.354 -14.527 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.592 7.362 -16.501 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.030 9.340 -14.936 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.986 7.338 -15.918 1.00 0.00 H new ATOM 261 N LEU A 17 7.068 9.497 -13.016 1.00 0.00 N ATOM 262 CA LEU A 17 7.187 8.445 -12.012 1.00 0.00 C ATOM 263 C LEU A 17 7.767 7.173 -12.624 1.00 0.00 C ATOM 264 O LEU A 17 7.220 6.626 -13.581 1.00 0.00 O ATOM 265 CB LEU A 17 5.822 8.148 -11.391 1.00 0.00 C ATOM 266 CG LEU A 17 5.752 6.925 -10.476 1.00 0.00 C ATOM 267 CD1 LEU A 17 5.560 5.657 -11.294 1.00 0.00 C ATOM 268 CD2 LEU A 17 7.007 6.826 -9.621 1.00 0.00 C ATOM 0 H LEU A 17 6.213 9.456 -13.570 1.00 0.00 H new ATOM 0 HA LEU A 17 7.865 8.795 -11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.507 9.022 -10.821 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.100 8.016 -12.197 1.00 0.00 H new ATOM 0 HG LEU A 17 4.894 7.039 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.512 4.797 -10.626 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.632 5.727 -11.862 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.398 5.537 -11.981 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.940 5.950 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.881 6.735 -10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.101 7.722 -9.007 1.00 0.00 H new ATOM 280 N LYS A 18 8.878 6.707 -12.063 1.00 0.00 N ATOM 281 CA LYS A 18 9.531 5.497 -12.549 1.00 0.00 C ATOM 282 C LYS A 18 9.382 4.358 -11.546 1.00 0.00 C ATOM 283 O LYS A 18 9.422 4.575 -10.335 1.00 0.00 O ATOM 284 CB LYS A 18 11.014 5.766 -12.814 1.00 0.00 C ATOM 285 CG LYS A 18 11.842 4.503 -12.976 1.00 0.00 C ATOM 286 CD LYS A 18 13.266 4.820 -13.400 1.00 0.00 C ATOM 287 CE LYS A 18 13.941 5.768 -12.421 1.00 0.00 C ATOM 288 NZ LYS A 18 15.422 5.609 -12.425 1.00 0.00 N ATOM 0 H LYS A 18 9.345 7.149 -11.271 1.00 0.00 H new ATOM 0 HA LYS A 18 9.048 5.202 -13.481 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.109 6.371 -13.716 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.421 6.354 -11.991 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.856 3.953 -12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.376 3.854 -13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.841 3.896 -13.468 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.260 5.266 -14.395 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.686 6.796 -12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.559 5.585 -11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.856 6.389 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.675 4.703 -11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.770 5.624 -13.405 1.00 0.00 H new ATOM 302 N ILE A 19 9.212 3.144 -12.059 1.00 0.00 N ATOM 303 CA ILE A 19 9.059 1.970 -11.208 1.00 0.00 C ATOM 304 C ILE A 19 10.059 0.883 -11.586 1.00 0.00 C ATOM 305 O ILE A 19 10.235 0.568 -12.764 1.00 0.00 O ATOM 306 CB ILE A 19 7.634 1.393 -11.294 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.599 2.517 -11.208 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.408 0.372 -10.189 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.898 2.794 -12.519 1.00 0.00 C ATOM 0 H ILE A 19 9.177 2.948 -13.059 1.00 0.00 H new ATOM 0 HA ILE A 19 9.249 2.296 -10.185 1.00 0.00 H new ATOM 0 HB ILE A 19 7.519 0.891 -12.255 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.855 2.258 -10.455 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.092 3.428 -10.869 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.396 -0.027 -10.263 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.127 -0.441 -10.292 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.539 0.851 -9.219 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.179 3.602 -12.383 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.633 3.084 -13.270 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.377 1.896 -12.850 1.00 0.00 H new ATOM 321 N PHE A 20 10.712 0.311 -10.580 1.00 0.00 N ATOM 322 CA PHE A 20 11.694 -0.743 -10.807 1.00 0.00 C ATOM 323 C PHE A 20 11.088 -2.118 -10.541 1.00 0.00 C ATOM 324 O PHE A 20 10.639 -2.406 -9.431 1.00 0.00 O ATOM 325 CB PHE A 20 12.917 -0.530 -9.912 1.00 0.00 C ATOM 326 CG PHE A 20 13.496 0.852 -10.008 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.239 1.232 -11.114 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.298 1.772 -8.990 1.00 0.00 C ATOM 329 CE1 PHE A 20 14.773 2.504 -11.205 1.00 0.00 C ATOM 330 CE2 PHE A 20 13.829 3.045 -9.076 1.00 0.00 C ATOM 331 CZ PHE A 20 14.569 3.411 -10.184 1.00 0.00 C ATOM 0 H PHE A 20 10.579 0.560 -9.600 1.00 0.00 H new ATOM 0 HA PHE A 20 12.004 -0.698 -11.851 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.639 -0.728 -8.877 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.684 -1.256 -10.180 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.403 0.526 -11.915 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.723 1.491 -8.120 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.349 2.788 -12.073 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.666 3.754 -8.277 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.987 4.405 -10.251 1.00 0.00 H new ATOM 341 N ILE A 21 11.079 -2.963 -11.567 1.00 0.00 N ATOM 342 CA ILE A 21 10.529 -4.307 -11.444 1.00 0.00 C ATOM 343 C ILE A 21 11.484 -5.346 -12.021 1.00 0.00 C ATOM 344 O ILE A 21 12.549 -5.007 -12.538 1.00 0.00 O ATOM 345 CB ILE A 21 9.168 -4.425 -12.155 1.00 0.00 C ATOM 346 CG1 ILE A 21 9.299 -4.020 -13.624 1.00 0.00 C ATOM 347 CG2 ILE A 21 8.127 -3.566 -11.453 1.00 0.00 C ATOM 348 CD1 ILE A 21 8.046 -4.273 -14.434 1.00 0.00 C ATOM 0 H ILE A 21 11.446 -2.740 -12.492 1.00 0.00 H new ATOM 0 HA ILE A 21 10.391 -4.496 -10.379 1.00 0.00 H new ATOM 0 HB ILE A 21 8.841 -5.464 -12.112 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.550 -2.961 -13.680 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.128 -4.568 -14.071 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.171 -3.660 -11.967 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.018 -3.898 -10.420 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.446 -2.524 -11.467 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.211 -3.962 -15.466 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.805 -5.336 -14.409 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.218 -3.703 -14.011 1.00 0.00 H new ATOM 492 N LEU A 31 -2.511 -3.524 -16.865 1.00 0.00 N ATOM 493 CA LEU A 31 -1.959 -2.189 -17.070 1.00 0.00 C ATOM 494 C LEU A 31 -3.071 -1.151 -17.178 1.00 0.00 C ATOM 495 O LEU A 31 -3.834 -1.144 -18.144 1.00 0.00 O ATOM 496 CB LEU A 31 -1.094 -2.161 -18.332 1.00 0.00 C ATOM 497 CG LEU A 31 0.387 -2.487 -18.138 1.00 0.00 C ATOM 498 CD1 LEU A 31 0.552 -3.820 -17.425 1.00 0.00 C ATOM 499 CD2 LEU A 31 1.109 -2.503 -19.477 1.00 0.00 C ATOM 0 HA LEU A 31 -1.340 -1.942 -16.208 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.510 -2.868 -19.049 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.172 -1.170 -18.780 1.00 0.00 H new ATOM 0 HG LEU A 31 0.832 -1.709 -17.517 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.613 -4.035 -17.296 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.070 -3.772 -16.448 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.092 -4.610 -18.019 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.162 -2.737 -19.320 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.662 -3.259 -20.122 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.021 -1.525 -19.949 1.00 0.00 H new ATOM 511 N GLU A 32 -3.154 -0.275 -16.182 1.00 0.00 N ATOM 512 CA GLU A 32 -4.173 0.769 -16.167 1.00 0.00 C ATOM 513 C GLU A 32 -3.969 1.710 -14.983 1.00 0.00 C ATOM 514 O GLU A 32 -4.735 1.686 -14.019 1.00 0.00 O ATOM 515 CB GLU A 32 -5.570 0.148 -16.105 1.00 0.00 C ATOM 516 CG GLU A 32 -6.693 1.170 -16.172 1.00 0.00 C ATOM 517 CD GLU A 32 -6.522 2.151 -17.315 1.00 0.00 C ATOM 518 OE1 GLU A 32 -6.331 1.698 -18.463 1.00 0.00 O ATOM 519 OE2 GLU A 32 -6.578 3.373 -17.061 1.00 0.00 O ATOM 0 H GLU A 32 -2.529 -0.267 -15.376 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.081 1.345 -17.087 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.682 -0.557 -16.929 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.664 -0.423 -15.181 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.645 0.651 -16.283 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.737 1.718 -15.231 1.00 0.00 H new ATOM 526 N ILE A 33 -2.933 2.538 -15.064 1.00 0.00 N ATOM 527 CA ILE A 33 -2.629 3.487 -14.001 1.00 0.00 C ATOM 528 C ILE A 33 -3.534 4.712 -14.082 1.00 0.00 C ATOM 529 O ILE A 33 -3.702 5.302 -15.150 1.00 0.00 O ATOM 530 CB ILE A 33 -1.159 3.944 -14.057 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.223 2.743 -13.912 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.882 4.972 -12.970 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.238 3.090 -14.092 1.00 0.00 C ATOM 0 H ILE A 33 -2.290 2.571 -15.855 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.804 2.970 -13.057 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.975 4.409 -15.025 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.364 2.300 -12.926 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.501 1.985 -14.645 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.161 5.285 -13.023 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.529 5.838 -13.115 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.079 4.531 -11.993 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.843 2.191 -13.976 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.393 3.505 -15.088 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.533 3.825 -13.342 1.00 0.00 H new ATOM 545 N ILE A 34 -4.112 5.089 -12.947 1.00 0.00 N ATOM 546 CA ILE A 34 -4.997 6.246 -12.889 1.00 0.00 C ATOM 547 C ILE A 34 -4.552 7.226 -11.809 1.00 0.00 C ATOM 548 O ILE A 34 -3.896 6.842 -10.841 1.00 0.00 O ATOM 549 CB ILE A 34 -6.454 5.827 -12.617 1.00 0.00 C ATOM 550 CG1 ILE A 34 -6.593 5.279 -11.195 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.907 4.791 -13.636 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.278 6.235 -10.244 1.00 0.00 C ATOM 0 H ILE A 34 -3.984 4.611 -12.055 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.943 6.733 -13.863 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.093 6.705 -12.712 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.155 4.346 -11.227 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.602 5.041 -10.807 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.939 4.505 -13.430 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.841 5.214 -14.639 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.267 3.911 -13.570 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.342 5.781 -9.255 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.705 7.160 -10.182 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.282 6.454 -10.608 1.00 0.00 H new ATOM 564 N ILE A 35 -4.915 8.492 -11.982 1.00 0.00 N ATOM 565 CA ILE A 35 -4.555 9.527 -11.020 1.00 0.00 C ATOM 566 C ILE A 35 -5.789 10.066 -10.304 1.00 0.00 C ATOM 567 O ILE A 35 -6.789 10.401 -10.939 1.00 0.00 O ATOM 568 CB ILE A 35 -3.819 10.696 -11.700 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.559 10.192 -12.407 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.466 11.767 -10.678 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.614 10.331 -13.912 1.00 0.00 C ATOM 0 H ILE A 35 -5.458 8.826 -12.778 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.889 9.063 -10.292 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.480 11.137 -12.446 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.696 10.742 -12.031 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.404 9.143 -12.153 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.946 12.586 -11.174 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.378 12.143 -10.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.820 11.339 -9.911 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.688 9.954 -14.346 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.456 9.758 -14.300 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.737 11.381 -14.176 1.00 0.00 H new ATOM 583 N GLN A 36 -5.710 10.146 -8.980 1.00 0.00 N ATOM 584 CA GLN A 36 -6.821 10.646 -8.178 1.00 0.00 C ATOM 585 C GLN A 36 -6.921 12.165 -8.272 1.00 0.00 C ATOM 586 O GLN A 36 -6.236 12.792 -9.080 1.00 0.00 O ATOM 587 CB GLN A 36 -6.654 10.223 -6.718 1.00 0.00 C ATOM 588 CG GLN A 36 -7.804 9.379 -6.193 1.00 0.00 C ATOM 589 CD GLN A 36 -9.160 9.947 -6.561 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.534 11.032 -6.114 1.00 0.00 O ATOM 591 NE2 GLN A 36 -9.906 9.215 -7.380 1.00 0.00 N ATOM 0 H GLN A 36 -4.889 9.871 -8.440 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.742 10.215 -8.571 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.726 9.661 -6.615 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.557 11.115 -6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.718 8.368 -6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.728 9.303 -5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.557 8.322 -7.727 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.828 9.546 -7.663 1.00 0.00 H new ATOM 600 N GLU A 37 -7.778 12.749 -7.442 1.00 0.00 N ATOM 601 CA GLU A 37 -7.968 14.195 -7.433 1.00 0.00 C ATOM 602 C GLU A 37 -6.631 14.918 -7.302 1.00 0.00 C ATOM 603 O GLU A 37 -6.421 15.971 -7.904 1.00 0.00 O ATOM 604 CB GLU A 37 -8.896 14.604 -6.287 1.00 0.00 C ATOM 605 CG GLU A 37 -8.587 13.902 -4.975 1.00 0.00 C ATOM 606 CD GLU A 37 -8.821 14.790 -3.769 1.00 0.00 C ATOM 607 OE1 GLU A 37 -9.460 15.851 -3.929 1.00 0.00 O ATOM 608 OE2 GLU A 37 -8.364 14.426 -2.665 1.00 0.00 O ATOM 0 H GLU A 37 -8.352 12.244 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.425 14.481 -8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.824 15.681 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.926 14.389 -6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.207 13.010 -4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.549 13.570 -4.981 1.00 0.00 H new ATOM 615 N ASN A 38 -5.730 14.345 -6.511 1.00 0.00 N ATOM 616 CA ASN A 38 -4.413 14.935 -6.299 1.00 0.00 C ATOM 617 C ASN A 38 -3.328 13.862 -6.310 1.00 0.00 C ATOM 618 O ASN A 38 -2.322 13.989 -7.007 1.00 0.00 O ATOM 619 CB ASN A 38 -4.379 15.697 -4.973 1.00 0.00 C ATOM 620 CG ASN A 38 -4.754 14.820 -3.793 1.00 0.00 C ATOM 621 OD1 ASN A 38 -5.931 14.546 -3.558 1.00 0.00 O ATOM 622 ND2 ASN A 38 -3.751 14.377 -3.044 1.00 0.00 N ATOM 0 H ASN A 38 -5.888 13.473 -6.006 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.219 15.631 -7.115 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.380 16.104 -4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.064 16.543 -5.026 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.941 13.784 -2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.791 14.630 -3.277 1.00 0.00 H new ATOM 629 N MET A 39 -3.541 12.806 -5.532 1.00 0.00 N ATOM 630 CA MET A 39 -2.582 11.710 -5.453 1.00 0.00 C ATOM 631 C MET A 39 -2.659 10.830 -6.696 1.00 0.00 C ATOM 632 O MET A 39 -3.573 10.968 -7.510 1.00 0.00 O ATOM 633 CB MET A 39 -2.838 10.868 -4.201 1.00 0.00 C ATOM 634 CG MET A 39 -3.779 9.698 -4.438 1.00 0.00 C ATOM 635 SD MET A 39 -4.645 9.189 -2.941 1.00 0.00 S ATOM 636 CE MET A 39 -3.289 8.532 -1.973 1.00 0.00 C ATOM 0 H MET A 39 -4.368 12.686 -4.948 1.00 0.00 H new ATOM 0 HA MET A 39 -1.582 12.139 -5.395 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.887 10.489 -3.827 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.255 11.507 -3.422 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.509 9.972 -5.200 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.211 8.854 -4.830 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.620 7.640 -1.441 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.462 8.274 -2.634 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.959 9.282 -1.254 1.00 0.00 H new ATOM 646 N ILE A 40 -1.695 9.926 -6.837 1.00 0.00 N ATOM 647 CA ILE A 40 -1.655 9.024 -7.981 1.00 0.00 C ATOM 648 C ILE A 40 -1.823 7.573 -7.542 1.00 0.00 C ATOM 649 O ILE A 40 -1.253 7.148 -6.538 1.00 0.00 O ATOM 650 CB ILE A 40 -0.335 9.163 -8.762 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.177 10.590 -9.290 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.288 8.160 -9.905 1.00 0.00 C ATOM 653 CD1 ILE A 40 1.035 10.776 -10.175 1.00 0.00 C ATOM 0 H ILE A 40 -0.931 9.799 -6.173 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.483 9.303 -8.632 1.00 0.00 H new ATOM 0 HB ILE A 40 0.494 8.953 -8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.071 10.862 -9.850 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.109 11.276 -8.445 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.651 8.270 -10.448 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.359 7.149 -9.505 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.122 8.341 -10.583 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.083 11.811 -10.513 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.937 10.535 -9.612 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.959 10.116 -11.039 1.00 0.00 H new ATOM 665 N ILE A 41 -2.608 6.818 -8.304 1.00 0.00 N ATOM 666 CA ILE A 41 -2.849 5.414 -7.996 1.00 0.00 C ATOM 667 C ILE A 41 -2.131 4.503 -8.985 1.00 0.00 C ATOM 668 O ILE A 41 -2.376 4.563 -10.191 1.00 0.00 O ATOM 669 CB ILE A 41 -4.354 5.084 -8.010 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.099 5.959 -7.000 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.576 3.610 -7.708 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.531 5.885 -5.600 1.00 0.00 C ATOM 0 H ILE A 41 -3.088 7.155 -9.139 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.457 5.239 -6.994 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.748 5.294 -9.004 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.072 6.994 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.146 5.659 -6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.644 3.393 -7.722 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.073 3.004 -8.462 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.170 3.375 -6.724 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.109 6.530 -4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.582 4.857 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.492 6.214 -5.611 1.00 0.00 H new ATOM 684 N PHE A 42 -1.245 3.659 -8.469 1.00 0.00 N ATOM 685 CA PHE A 42 -0.491 2.734 -9.307 1.00 0.00 C ATOM 686 C PHE A 42 -1.102 1.337 -9.260 1.00 0.00 C ATOM 687 O PHE A 42 -0.905 0.592 -8.300 1.00 0.00 O ATOM 688 CB PHE A 42 0.970 2.679 -8.856 1.00 0.00 C ATOM 689 CG PHE A 42 1.780 1.635 -9.572 1.00 0.00 C ATOM 690 CD1 PHE A 42 2.338 1.903 -10.812 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.983 0.387 -9.005 1.00 0.00 C ATOM 692 CE1 PHE A 42 3.082 0.944 -11.473 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.726 -0.575 -9.662 1.00 0.00 C ATOM 694 CZ PHE A 42 3.278 -0.296 -10.897 1.00 0.00 C ATOM 0 H PHE A 42 -1.031 3.596 -7.474 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.534 3.096 -10.334 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.428 3.655 -9.015 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.004 2.482 -7.784 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.190 2.871 -11.267 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.556 0.164 -8.039 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.510 1.164 -12.440 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.875 -1.545 -9.210 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.861 -1.046 -11.411 1.00 0.00 H new ATOM 704 N HIS A 43 -1.846 0.988 -10.306 1.00 0.00 N ATOM 705 CA HIS A 43 -2.487 -0.320 -10.385 1.00 0.00 C ATOM 706 C HIS A 43 -1.670 -1.274 -11.251 1.00 0.00 C ATOM 707 O HIS A 43 -1.849 -2.491 -11.191 1.00 0.00 O ATOM 708 CB HIS A 43 -3.901 -0.185 -10.951 1.00 0.00 C ATOM 709 CG HIS A 43 -4.892 -1.108 -10.312 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.254 -0.995 -10.498 1.00 0.00 N ATOM 711 CD2 HIS A 43 -4.713 -2.167 -9.488 1.00 0.00 C ATOM 712 CE1 HIS A 43 -6.870 -1.943 -9.813 1.00 0.00 C ATOM 713 NE2 HIS A 43 -5.957 -2.668 -9.192 1.00 0.00 N ATOM 0 H HIS A 43 -2.019 1.592 -11.109 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.544 -0.730 -9.377 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.239 0.843 -10.822 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.875 -0.379 -12.023 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.768 -2.547 -9.130 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.938 -2.098 -9.769 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.145 -3.470 -8.590 1.00 0.00 H new ATOM 721 N LEU A 44 -0.772 -0.714 -12.055 1.00 0.00 N ATOM 722 CA LEU A 44 0.073 -1.515 -12.933 1.00 0.00 C ATOM 723 C LEU A 44 0.781 -2.617 -12.152 1.00 0.00 C ATOM 724 O LEU A 44 0.964 -2.512 -10.939 1.00 0.00 O ATOM 725 CB LEU A 44 1.103 -0.626 -13.632 1.00 0.00 C ATOM 726 CG LEU A 44 1.311 -0.884 -15.125 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.565 0.422 -15.861 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.461 -1.855 -15.343 1.00 0.00 C ATOM 0 H LEU A 44 -0.611 0.291 -12.117 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.565 -1.981 -13.684 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.803 0.414 -13.502 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.061 -0.747 -13.126 1.00 0.00 H new ATOM 0 HG LEU A 44 0.403 -1.333 -15.527 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.711 0.219 -16.922 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.709 1.085 -15.732 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.458 0.900 -15.457 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.595 -2.027 -16.411 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.376 -1.435 -14.926 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.238 -2.800 -14.849 1.00 0.00 H new ATOM 740 N SER A 45 1.179 -3.672 -12.856 1.00 0.00 N ATOM 741 CA SER A 45 1.867 -4.794 -12.228 1.00 0.00 C ATOM 742 C SER A 45 0.981 -5.454 -11.175 1.00 0.00 C ATOM 743 O SER A 45 -0.040 -4.908 -10.755 1.00 0.00 O ATOM 744 CB SER A 45 3.175 -4.325 -11.588 1.00 0.00 C ATOM 745 OG SER A 45 3.209 -4.639 -10.207 1.00 0.00 O ATOM 0 H SER A 45 1.037 -3.773 -13.861 1.00 0.00 H new ATOM 0 HA SER A 45 2.092 -5.528 -13.001 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.019 -4.796 -12.092 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.284 -3.249 -11.722 1.00 0.00 H new ATOM 0 HG SER A 45 4.056 -4.330 -9.822 1.00 0.00 H new ATOM 751 N PRO A 46 1.379 -6.658 -10.738 1.00 0.00 N ATOM 752 CA PRO A 46 0.636 -7.419 -9.729 1.00 0.00 C ATOM 753 C PRO A 46 0.717 -6.781 -8.346 1.00 0.00 C ATOM 754 O PRO A 46 0.077 -7.242 -7.401 1.00 0.00 O ATOM 755 CB PRO A 46 1.332 -8.782 -9.730 1.00 0.00 C ATOM 756 CG PRO A 46 2.712 -8.503 -10.216 1.00 0.00 C ATOM 757 CD PRO A 46 2.585 -7.368 -11.194 1.00 0.00 C ATOM 0 HA PRO A 46 -0.429 -7.468 -9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.345 -9.220 -8.732 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.818 -9.488 -10.382 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.370 -8.234 -9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.143 -9.383 -10.693 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.463 -6.722 -11.176 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.476 -7.729 -12.217 1.00 0.00 H new ATOM 765 N TYR A 47 1.507 -5.719 -8.235 1.00 0.00 N ATOM 766 CA TYR A 47 1.672 -5.019 -6.967 1.00 0.00 C ATOM 767 C TYR A 47 1.026 -3.638 -7.018 1.00 0.00 C ATOM 768 O TYR A 47 1.274 -2.857 -7.937 1.00 0.00 O ATOM 769 CB TYR A 47 3.157 -4.886 -6.623 1.00 0.00 C ATOM 770 CG TYR A 47 3.930 -6.177 -6.770 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.415 -7.376 -6.292 1.00 0.00 C ATOM 772 CD2 TYR A 47 5.176 -6.199 -7.385 1.00 0.00 C ATOM 773 CE1 TYR A 47 4.118 -8.558 -6.423 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.885 -7.376 -7.521 1.00 0.00 C ATOM 775 CZ TYR A 47 5.352 -8.553 -7.038 1.00 0.00 C ATOM 776 OH TYR A 47 6.056 -9.728 -7.171 1.00 0.00 O ATOM 0 H TYR A 47 2.043 -5.324 -9.008 1.00 0.00 H new ATOM 0 HA TYR A 47 1.176 -5.604 -6.192 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.604 -4.129 -7.267 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.253 -4.529 -5.598 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.449 -7.384 -5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.597 -5.279 -7.763 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.703 -9.481 -6.046 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.852 -7.375 -8.003 1.00 0.00 H new ATOM 0 HH TYR A 47 6.905 -9.551 -7.628 1.00 0.00 H new ATOM 786 N TYR A 48 0.195 -3.344 -6.024 1.00 0.00 N ATOM 787 CA TYR A 48 -0.490 -2.059 -5.955 1.00 0.00 C ATOM 788 C TYR A 48 0.305 -1.062 -5.117 1.00 0.00 C ATOM 789 O TYR A 48 0.718 -1.365 -3.997 1.00 0.00 O ATOM 790 CB TYR A 48 -1.891 -2.234 -5.366 1.00 0.00 C ATOM 791 CG TYR A 48 -2.675 -0.945 -5.273 1.00 0.00 C ATOM 792 CD1 TYR A 48 -2.535 -0.102 -4.178 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.554 -0.569 -6.281 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.250 1.077 -4.089 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.272 0.608 -6.201 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.117 1.428 -5.103 1.00 0.00 C ATOM 797 OH TYR A 48 -4.830 2.602 -5.018 1.00 0.00 O ATOM 0 H TYR A 48 -0.020 -3.978 -5.255 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.576 -1.668 -6.969 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.447 -2.944 -5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.805 -2.670 -4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.856 -0.373 -3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.678 -1.208 -7.142 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.131 1.721 -3.230 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.951 0.885 -6.994 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.742 2.456 -5.347 1.00 0.00 H new ATOM 807 N LEU A 49 0.515 0.129 -5.667 1.00 0.00 N ATOM 808 CA LEU A 49 1.259 1.172 -4.971 1.00 0.00 C ATOM 809 C LEU A 49 0.477 2.482 -4.956 1.00 0.00 C ATOM 810 O LEU A 49 -0.256 2.789 -5.897 1.00 0.00 O ATOM 811 CB LEU A 49 2.620 1.386 -5.637 1.00 0.00 C ATOM 812 CG LEU A 49 3.561 2.369 -4.941 1.00 0.00 C ATOM 813 CD1 LEU A 49 3.996 1.826 -3.589 1.00 0.00 C ATOM 814 CD2 LEU A 49 4.772 2.659 -5.816 1.00 0.00 C ATOM 0 H LEU A 49 0.180 0.396 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 49 1.411 0.849 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.123 0.421 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.452 1.734 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 49 3.023 3.303 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.665 2.540 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.119 1.671 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.515 0.878 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.431 3.361 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.311 1.732 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.443 3.093 -6.760 1.00 0.00 H new ATOM 826 N ARG A 50 0.639 3.250 -3.884 1.00 0.00 N ATOM 827 CA ARG A 50 -0.051 4.526 -3.747 1.00 0.00 C ATOM 828 C ARG A 50 0.945 5.666 -3.555 1.00 0.00 C ATOM 829 O ARG A 50 1.857 5.575 -2.731 1.00 0.00 O ATOM 830 CB ARG A 50 -1.024 4.481 -2.567 1.00 0.00 C ATOM 831 CG ARG A 50 -2.253 5.355 -2.756 1.00 0.00 C ATOM 832 CD ARG A 50 -3.528 4.526 -2.777 1.00 0.00 C ATOM 833 NE ARG A 50 -4.720 5.352 -2.606 1.00 0.00 N ATOM 834 CZ ARG A 50 -5.937 4.855 -2.413 1.00 0.00 C ATOM 835 NH1 ARG A 50 -6.121 3.543 -2.367 1.00 0.00 N ATOM 836 NH2 ARG A 50 -6.972 5.671 -2.265 1.00 0.00 N ATOM 0 H ARG A 50 1.242 3.010 -3.097 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.611 4.707 -4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.342 3.451 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.501 4.795 -1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.307 6.088 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.165 5.912 -3.689 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.594 3.986 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.488 3.779 -1.984 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.612 6.366 -2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.327 2.912 -2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.056 3.164 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.834 6.681 -2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.906 5.289 -2.117 1.00 0.00 H new ATOM 850 N LEU A 51 0.766 6.737 -4.320 1.00 0.00 N ATOM 851 CA LEU A 51 1.650 7.894 -4.235 1.00 0.00 C ATOM 852 C LEU A 51 0.871 9.146 -3.843 1.00 0.00 C ATOM 853 O LEU A 51 0.034 9.632 -4.604 1.00 0.00 O ATOM 854 CB LEU A 51 2.359 8.119 -5.572 1.00 0.00 C ATOM 855 CG LEU A 51 3.374 7.051 -5.980 1.00 0.00 C ATOM 856 CD1 LEU A 51 4.021 7.409 -7.309 1.00 0.00 C ATOM 857 CD2 LEU A 51 4.432 6.879 -4.900 1.00 0.00 C ATOM 0 H LEU A 51 0.017 6.828 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 51 2.395 7.695 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.603 8.191 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.870 9.081 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 51 2.847 6.104 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.740 6.637 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.254 7.480 -8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.533 8.367 -7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.146 6.115 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.955 7.824 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.955 6.575 -3.968 1.00 0.00 H new ATOM 869 N ARG A 52 1.155 9.664 -2.653 1.00 0.00 N ATOM 870 CA ARG A 52 0.482 10.860 -2.160 1.00 0.00 C ATOM 871 C ARG A 52 1.433 12.054 -2.149 1.00 0.00 C ATOM 872 O ARG A 52 2.311 12.153 -1.292 1.00 0.00 O ATOM 873 CB ARG A 52 -0.068 10.619 -0.753 1.00 0.00 C ATOM 874 CG ARG A 52 -0.805 11.816 -0.174 1.00 0.00 C ATOM 875 CD ARG A 52 -2.110 12.076 -0.909 1.00 0.00 C ATOM 876 NE ARG A 52 -2.941 13.058 -0.218 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.661 12.780 0.864 1.00 0.00 C ATOM 878 NH1 ARG A 52 -3.650 11.557 1.375 1.00 0.00 N ATOM 879 NH2 ARG A 52 -4.392 13.728 1.437 1.00 0.00 N ATOM 0 H ARG A 52 1.846 9.275 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.346 11.083 -2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.744 9.764 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.756 10.355 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.010 11.642 0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.170 12.700 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.894 12.429 -1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.662 11.141 -1.010 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.970 14.009 -0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.088 10.827 0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.203 11.346 2.205 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.401 14.670 1.047 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.944 13.514 2.267 1.00 0.00 H new ATOM 893 N PHE A 53 1.252 12.957 -3.107 1.00 0.00 N ATOM 894 CA PHE A 53 2.095 14.142 -3.209 1.00 0.00 C ATOM 895 C PHE A 53 1.441 15.335 -2.518 1.00 0.00 C ATOM 896 O PHE A 53 0.222 15.396 -2.351 1.00 0.00 O ATOM 897 CB PHE A 53 2.369 14.475 -4.677 1.00 0.00 C ATOM 898 CG PHE A 53 2.942 13.326 -5.456 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.739 12.379 -4.833 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.684 13.193 -6.810 1.00 0.00 C ATOM 901 CE1 PHE A 53 4.268 11.320 -5.546 1.00 0.00 C ATOM 902 CE2 PHE A 53 3.209 12.136 -7.529 1.00 0.00 C ATOM 903 CZ PHE A 53 4.003 11.199 -6.897 1.00 0.00 C ATOM 0 H PHE A 53 0.529 12.891 -3.824 1.00 0.00 H new ATOM 0 HA PHE A 53 3.040 13.929 -2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.440 14.795 -5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.059 15.318 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.949 12.470 -3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.065 13.924 -7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.887 10.588 -5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.999 12.043 -8.584 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.416 10.373 -7.458 1.00 0.00 H new ATOM 913 N PRO A 54 2.268 16.307 -2.107 1.00 0.00 N ATOM 914 CA PRO A 54 1.793 17.517 -1.428 1.00 0.00 C ATOM 915 C PRO A 54 1.016 18.439 -2.362 1.00 0.00 C ATOM 916 O PRO A 54 0.441 19.437 -1.928 1.00 0.00 O ATOM 917 CB PRO A 54 3.085 18.193 -0.963 1.00 0.00 C ATOM 918 CG PRO A 54 4.130 17.704 -1.906 1.00 0.00 C ATOM 919 CD PRO A 54 3.731 16.301 -2.274 1.00 0.00 C ATOM 0 HA PRO A 54 1.102 17.285 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.998 19.279 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.324 17.925 0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.186 18.339 -2.790 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.115 17.720 -1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.018 16.057 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.206 15.565 -1.626 1.00 0.00 H new ATOM 927 N HIS A 55 1.003 18.097 -3.647 1.00 0.00 N ATOM 928 CA HIS A 55 0.295 18.895 -4.642 1.00 0.00 C ATOM 929 C HIS A 55 -0.888 18.121 -5.216 1.00 0.00 C ATOM 930 O HIS A 55 -1.216 17.032 -4.746 1.00 0.00 O ATOM 931 CB HIS A 55 1.245 19.306 -5.767 1.00 0.00 C ATOM 932 CG HIS A 55 2.365 20.190 -5.312 1.00 0.00 C ATOM 933 ND1 HIS A 55 2.282 21.567 -5.306 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.598 19.887 -4.843 1.00 0.00 C ATOM 935 CE1 HIS A 55 3.417 22.072 -4.856 1.00 0.00 C ATOM 936 NE2 HIS A 55 4.232 21.074 -4.567 1.00 0.00 N ATOM 0 H HIS A 55 1.474 17.274 -4.023 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.083 19.792 -4.151 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.664 18.409 -6.224 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.677 19.822 -6.541 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.007 18.896 -4.710 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.640 23.123 -4.744 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.178 21.169 -4.199 1.00 0.00 H new ATOM 944 N GLU A 56 -1.524 18.691 -6.235 1.00 0.00 N ATOM 945 CA GLU A 56 -2.671 18.054 -6.872 1.00 0.00 C ATOM 946 C GLU A 56 -2.451 17.917 -8.376 1.00 0.00 C ATOM 947 O GLU A 56 -2.265 18.910 -9.081 1.00 0.00 O ATOM 948 CB GLU A 56 -3.944 18.859 -6.602 1.00 0.00 C ATOM 949 CG GLU A 56 -3.751 20.362 -6.725 1.00 0.00 C ATOM 950 CD GLU A 56 -5.055 21.128 -6.615 1.00 0.00 C ATOM 951 OE1 GLU A 56 -6.102 20.575 -7.010 1.00 0.00 O ATOM 952 OE2 GLU A 56 -5.028 22.280 -6.134 1.00 0.00 O ATOM 0 H GLU A 56 -1.265 19.592 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.784 17.057 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.719 18.542 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.304 18.628 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.068 20.702 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.281 20.587 -7.682 1.00 0.00 H new ATOM 959 N LEU A 57 -2.474 16.681 -8.861 1.00 0.00 N ATOM 960 CA LEU A 57 -2.277 16.412 -10.281 1.00 0.00 C ATOM 961 C LEU A 57 -3.611 16.159 -10.977 1.00 0.00 C ATOM 962 O LEU A 57 -4.655 16.083 -10.329 1.00 0.00 O ATOM 963 CB LEU A 57 -1.354 15.206 -10.469 1.00 0.00 C ATOM 964 CG LEU A 57 -0.055 15.224 -9.663 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.309 13.820 -9.206 1.00 0.00 C ATOM 966 CD2 LEU A 57 1.074 15.829 -10.486 1.00 0.00 C ATOM 0 H LEU A 57 -2.627 15.849 -8.292 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.814 17.290 -10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.908 14.305 -10.207 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.101 15.128 -11.526 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.206 15.843 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.236 13.853 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.490 13.423 -8.580 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.442 13.177 -10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.991 15.834 -9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.225 15.236 -11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.815 16.851 -10.763 1.00 0.00 H new ATOM 978 N ILE A 58 -3.567 16.028 -12.298 1.00 0.00 N ATOM 979 CA ILE A 58 -4.771 15.780 -13.081 1.00 0.00 C ATOM 980 C ILE A 58 -4.536 14.690 -14.121 1.00 0.00 C ATOM 981 O ILE A 58 -3.448 14.581 -14.687 1.00 0.00 O ATOM 982 CB ILE A 58 -5.252 17.058 -13.794 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.503 16.764 -14.625 1.00 0.00 C ATOM 984 CG2 ILE A 58 -4.146 17.623 -14.672 1.00 0.00 C ATOM 985 CD1 ILE A 58 -7.117 17.998 -15.249 1.00 0.00 C ATOM 0 H ILE A 58 -2.711 16.089 -12.849 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.540 15.452 -12.381 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.506 17.803 -13.040 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.247 16.057 -15.414 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.245 16.280 -13.991 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.501 18.526 -15.169 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.280 17.865 -14.056 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.863 16.884 -15.421 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.999 17.715 -15.823 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.404 18.698 -14.464 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.391 18.471 -15.910 1.00 0.00 H new ATOM 997 N ASP A 59 -5.563 13.885 -14.370 1.00 0.00 N ATOM 998 CA ASP A 59 -5.470 12.804 -15.344 1.00 0.00 C ATOM 999 C ASP A 59 -6.143 13.196 -16.656 1.00 0.00 C ATOM 1000 O ASP A 59 -7.370 13.244 -16.746 1.00 0.00 O ATOM 1001 CB ASP A 59 -6.110 11.531 -14.789 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.549 10.578 -15.883 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.675 9.904 -16.468 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.766 10.506 -16.154 1.00 0.00 O ATOM 0 H ASP A 59 -6.470 13.961 -13.910 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.415 12.614 -15.540 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.399 11.026 -14.135 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.971 11.798 -14.177 1.00 0.00 H new ATOM 1009 N ASP A 60 -5.332 13.476 -17.670 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.849 13.863 -18.978 1.00 0.00 C ATOM 1011 C ASP A 60 -5.440 12.852 -20.045 1.00 0.00 C ATOM 1012 O ASP A 60 -4.974 11.758 -19.730 1.00 0.00 O ATOM 1013 CB ASP A 60 -5.343 15.256 -19.357 1.00 0.00 C ATOM 1014 CG ASP A 60 -6.404 16.088 -20.051 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -7.427 15.510 -20.475 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -6.211 17.316 -20.170 1.00 0.00 O ATOM 0 H ASP A 60 -4.314 13.442 -17.612 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.937 13.883 -18.920 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.009 15.775 -18.459 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.476 15.159 -20.011 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.620 13.227 -21.308 1.00 0.00 N ATOM 1022 CA GLU A 61 -5.272 12.352 -22.421 1.00 0.00 C ATOM 1023 C GLU A 61 -3.765 12.119 -22.479 1.00 0.00 C ATOM 1024 O GLU A 61 -3.307 11.037 -22.846 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.759 12.951 -23.742 1.00 0.00 C ATOM 1026 CG GLU A 61 -7.142 13.574 -23.655 1.00 0.00 C ATOM 1027 CD GLU A 61 -8.166 12.638 -23.044 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -8.249 11.475 -23.492 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -8.885 13.068 -22.118 1.00 0.00 O ATOM 0 H GLU A 61 -6.004 14.130 -21.585 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.764 11.392 -22.263 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.048 13.709 -24.071 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.768 12.171 -24.503 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.089 14.486 -23.061 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.470 13.863 -24.654 1.00 0.00 H new ATOM 1036 N ARG A 62 -3.000 13.143 -22.116 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.545 13.052 -22.129 1.00 0.00 C ATOM 1038 C ARG A 62 -1.059 11.976 -21.163 1.00 0.00 C ATOM 1039 O ARG A 62 -0.101 11.258 -21.449 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.925 14.401 -21.760 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.554 15.046 -20.536 1.00 0.00 C ATOM 1042 CD ARG A 62 -2.189 16.385 -20.876 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.271 17.499 -20.653 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.560 18.070 -21.619 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -0.662 17.635 -22.868 1.00 0.00 N ATOM 1046 NH2 ARG A 62 0.254 19.079 -21.338 1.00 0.00 N ATOM 0 H ARG A 62 -3.363 14.045 -21.809 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.232 12.779 -23.137 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.141 14.264 -21.581 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.021 15.080 -22.608 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.309 14.379 -20.120 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.795 15.187 -19.767 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.507 16.381 -21.918 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.084 16.526 -20.270 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.170 17.858 -19.704 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.288 16.860 -23.089 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.115 18.075 -23.608 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.335 19.417 -20.379 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.799 19.516 -22.081 1.00 0.00 H new ATOM 1060 N SER A 63 -1.727 11.870 -20.019 1.00 0.00 N ATOM 1061 CA SER A 63 -1.361 10.884 -19.008 1.00 0.00 C ATOM 1062 C SER A 63 -1.263 9.490 -19.620 1.00 0.00 C ATOM 1063 O SER A 63 -2.153 9.055 -20.351 1.00 0.00 O ATOM 1064 CB SER A 63 -2.384 10.884 -17.871 1.00 0.00 C ATOM 1065 OG SER A 63 -3.431 9.964 -18.128 1.00 0.00 O ATOM 0 H SER A 63 -2.525 12.455 -19.769 1.00 0.00 H new ATOM 0 HA SER A 63 -0.384 11.156 -18.608 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.891 10.626 -16.934 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.797 11.885 -17.749 1.00 0.00 H new ATOM 0 HG SER A 63 -4.135 10.074 -17.456 1.00 0.00 H new ATOM 1071 N THR A 64 -0.173 8.792 -19.316 1.00 0.00 N ATOM 1072 CA THR A 64 0.044 7.448 -19.836 1.00 0.00 C ATOM 1073 C THR A 64 1.351 6.861 -19.315 1.00 0.00 C ATOM 1074 O THR A 64 2.189 7.577 -18.766 1.00 0.00 O ATOM 1075 CB THR A 64 0.068 7.438 -21.376 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.268 6.103 -21.854 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.170 8.343 -21.906 1.00 0.00 C ATOM 0 H THR A 64 0.573 9.136 -18.712 1.00 0.00 H new ATOM 0 HA THR A 64 -0.789 6.837 -19.489 1.00 0.00 H new ATOM 0 HB THR A 64 -0.891 7.812 -21.735 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.162 6.027 -22.249 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.167 8.320 -22.996 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.998 9.364 -21.565 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.135 7.995 -21.538 1.00 0.00 H new ATOM 1085 N ALA A 65 1.520 5.555 -19.491 1.00 0.00 N ATOM 1086 CA ALA A 65 2.727 4.873 -19.041 1.00 0.00 C ATOM 1087 C ALA A 65 3.258 3.930 -20.115 1.00 0.00 C ATOM 1088 O ALA A 65 2.485 3.288 -20.826 1.00 0.00 O ATOM 1089 CB ALA A 65 2.453 4.109 -17.754 1.00 0.00 C ATOM 0 H ALA A 65 0.836 4.948 -19.942 1.00 0.00 H new ATOM 0 HA ALA A 65 3.490 5.627 -18.848 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.363 3.605 -17.430 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.128 4.804 -16.980 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.671 3.370 -17.929 1.00 0.00 H new ATOM 1095 N GLN A 66 4.580 3.852 -20.228 1.00 0.00 N ATOM 1096 CA GLN A 66 5.212 2.988 -21.217 1.00 0.00 C ATOM 1097 C GLN A 66 6.157 1.995 -20.548 1.00 0.00 C ATOM 1098 O GLN A 66 6.794 2.310 -19.543 1.00 0.00 O ATOM 1099 CB GLN A 66 5.978 3.826 -22.243 1.00 0.00 C ATOM 1100 CG GLN A 66 5.215 5.052 -22.718 1.00 0.00 C ATOM 1101 CD GLN A 66 3.944 4.696 -23.463 1.00 0.00 C ATOM 1102 OE1 GLN A 66 2.875 5.244 -23.190 1.00 0.00 O ATOM 1103 NE2 GLN A 66 4.052 3.773 -24.412 1.00 0.00 N ATOM 0 H GLN A 66 5.234 4.377 -19.647 1.00 0.00 H new ATOM 0 HA GLN A 66 4.428 2.429 -21.727 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.925 4.144 -21.806 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.218 3.202 -23.104 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.966 5.675 -21.859 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.858 5.646 -23.367 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.957 3.344 -24.606 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.230 3.493 -24.947 1.00 0.00 H new ATOM 1112 N TYR A 67 6.242 0.795 -21.112 1.00 0.00 N ATOM 1113 CA TYR A 67 7.106 -0.245 -20.568 1.00 0.00 C ATOM 1114 C TYR A 67 8.514 -0.143 -21.148 1.00 0.00 C ATOM 1115 O TYR A 67 8.695 -0.118 -22.365 1.00 0.00 O ATOM 1116 CB TYR A 67 6.522 -1.628 -20.860 1.00 0.00 C ATOM 1117 CG TYR A 67 7.468 -2.765 -20.545 1.00 0.00 C ATOM 1118 CD1 TYR A 67 8.301 -2.712 -19.434 1.00 0.00 C ATOM 1119 CD2 TYR A 67 7.528 -3.890 -21.357 1.00 0.00 C ATOM 1120 CE1 TYR A 67 9.168 -3.748 -19.142 1.00 0.00 C ATOM 1121 CE2 TYR A 67 8.391 -4.931 -21.072 1.00 0.00 C ATOM 1122 CZ TYR A 67 9.208 -4.855 -19.964 1.00 0.00 C ATOM 1123 OH TYR A 67 10.070 -5.889 -19.677 1.00 0.00 O ATOM 0 H TYR A 67 5.723 0.519 -21.946 1.00 0.00 H new ATOM 0 HA TYR A 67 7.166 -0.103 -19.489 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.608 -1.756 -20.281 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.243 -1.680 -21.912 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.270 -1.847 -18.788 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.889 -3.952 -22.226 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.810 -3.691 -18.276 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.425 -5.799 -21.714 1.00 0.00 H new ATOM 0 HH TYR A 67 9.974 -6.592 -20.353 1.00 0.00 H new ATOM 1133 N ASP A 68 9.506 -0.083 -20.267 1.00 0.00 N ATOM 1134 CA ASP A 68 10.898 0.015 -20.690 1.00 0.00 C ATOM 1135 C ASP A 68 11.595 -1.338 -20.586 1.00 0.00 C ATOM 1136 O ASP A 68 11.711 -1.906 -19.501 1.00 0.00 O ATOM 1137 CB ASP A 68 11.639 1.050 -19.841 1.00 0.00 C ATOM 1138 CG ASP A 68 11.514 2.454 -20.400 1.00 0.00 C ATOM 1139 OD1 ASP A 68 10.832 2.623 -21.432 1.00 0.00 O ATOM 1140 OD2 ASP A 68 12.098 3.383 -19.805 1.00 0.00 O ATOM 0 H ASP A 68 9.372 -0.100 -19.256 1.00 0.00 H new ATOM 0 HA ASP A 68 10.913 0.332 -21.733 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.246 1.030 -18.825 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.693 0.779 -19.780 1.00 0.00 H new ATOM 1145 N SER A 69 12.055 -1.849 -21.724 1.00 0.00 N ATOM 1146 CA SER A 69 12.736 -3.138 -21.762 1.00 0.00 C ATOM 1147 C SER A 69 14.236 -2.967 -21.545 1.00 0.00 C ATOM 1148 O SER A 69 14.916 -3.881 -21.077 1.00 0.00 O ATOM 1149 CB SER A 69 12.479 -3.835 -23.100 1.00 0.00 C ATOM 1150 OG SER A 69 11.277 -3.374 -23.692 1.00 0.00 O ATOM 0 H SER A 69 11.969 -1.390 -22.631 1.00 0.00 H new ATOM 0 HA SER A 69 12.338 -3.755 -20.956 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.315 -3.652 -23.776 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.423 -4.913 -22.947 1.00 0.00 H new ATOM 0 HG SER A 69 11.136 -3.833 -24.546 1.00 0.00 H new ATOM 1156 N LYS A 70 14.747 -1.790 -21.888 1.00 0.00 N ATOM 1157 CA LYS A 70 16.166 -1.495 -21.731 1.00 0.00 C ATOM 1158 C LYS A 70 16.606 -1.696 -20.284 1.00 0.00 C ATOM 1159 O LYS A 70 17.747 -2.075 -20.019 1.00 0.00 O ATOM 1160 CB LYS A 70 16.462 -0.060 -22.171 1.00 0.00 C ATOM 1161 CG LYS A 70 15.584 0.978 -21.492 1.00 0.00 C ATOM 1162 CD LYS A 70 16.323 1.685 -20.368 1.00 0.00 C ATOM 1163 CE LYS A 70 15.358 2.277 -19.353 1.00 0.00 C ATOM 1164 NZ LYS A 70 15.067 3.710 -19.635 1.00 0.00 N ATOM 0 H LYS A 70 14.198 -1.023 -22.277 1.00 0.00 H new ATOM 0 HA LYS A 70 16.727 -2.184 -22.362 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.507 0.167 -21.961 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.330 0.015 -23.250 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.251 1.711 -22.227 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.691 0.496 -21.095 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.990 0.981 -19.870 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.947 2.476 -20.783 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.428 1.709 -19.362 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.780 2.182 -18.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.419 4.296 -18.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.538 3.993 -20.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.040 3.843 -19.733 1.00 0.00 H new ATOM 1178 N ASP A 71 15.694 -1.441 -19.352 1.00 0.00 N ATOM 1179 CA ASP A 71 15.988 -1.596 -17.932 1.00 0.00 C ATOM 1180 C ASP A 71 14.896 -2.403 -17.237 1.00 0.00 C ATOM 1181 O ASP A 71 14.931 -2.594 -16.022 1.00 0.00 O ATOM 1182 CB ASP A 71 16.129 -0.226 -17.266 1.00 0.00 C ATOM 1183 CG ASP A 71 16.895 -0.294 -15.960 1.00 0.00 C ATOM 1184 OD1 ASP A 71 17.452 -1.369 -15.654 1.00 0.00 O ATOM 1185 OD2 ASP A 71 16.937 0.727 -15.242 1.00 0.00 O ATOM 0 H ASP A 71 14.745 -1.126 -19.554 1.00 0.00 H new ATOM 0 HA ASP A 71 16.930 -2.136 -17.838 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.638 0.455 -17.948 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.138 0.189 -17.082 1.00 0.00 H new ATOM 1190 N GLU A 72 13.927 -2.873 -18.016 1.00 0.00 N ATOM 1191 CA GLU A 72 12.824 -3.658 -17.474 1.00 0.00 C ATOM 1192 C GLU A 72 12.045 -2.856 -16.435 1.00 0.00 C ATOM 1193 O GLU A 72 11.497 -3.417 -15.485 1.00 0.00 O ATOM 1194 CB GLU A 72 13.349 -4.951 -16.847 1.00 0.00 C ATOM 1195 CG GLU A 72 14.136 -5.821 -17.813 1.00 0.00 C ATOM 1196 CD GLU A 72 15.215 -6.632 -17.123 1.00 0.00 C ATOM 1197 OE1 GLU A 72 15.224 -6.667 -15.874 1.00 0.00 O ATOM 1198 OE2 GLU A 72 16.050 -7.233 -17.831 1.00 0.00 O ATOM 0 H GLU A 72 13.883 -2.724 -19.024 1.00 0.00 H new ATOM 0 HA GLU A 72 12.151 -3.908 -18.295 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.984 -4.701 -15.997 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.507 -5.524 -16.458 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.452 -6.496 -18.327 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.593 -5.189 -18.575 1.00 0.00 H new ATOM 1205 N CYS A 73 12.001 -1.542 -16.622 1.00 0.00 N ATOM 1206 CA CYS A 73 11.291 -0.662 -15.701 1.00 0.00 C ATOM 1207 C CYS A 73 10.047 -0.074 -16.361 1.00 0.00 C ATOM 1208 O CYS A 73 9.829 -0.247 -17.561 1.00 0.00 O ATOM 1209 CB CYS A 73 12.211 0.464 -15.226 1.00 0.00 C ATOM 1210 SG CYS A 73 13.794 -0.107 -14.566 1.00 0.00 S ATOM 0 H CYS A 73 12.449 -1.062 -17.403 1.00 0.00 H new ATOM 0 HA CYS A 73 10.979 -1.254 -14.840 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.400 1.141 -16.059 1.00 0.00 H new ATOM 0 HB3 CYS A 73 11.696 1.040 -14.458 1.00 0.00 H new ATOM 0 HG CYS A 73 14.171 -1.175 -15.205 1.00 0.00 H new ATOM 1216 N ILE A 74 9.235 0.618 -15.570 1.00 0.00 N ATOM 1217 CA ILE A 74 8.013 1.230 -16.077 1.00 0.00 C ATOM 1218 C ILE A 74 8.025 2.740 -15.864 1.00 0.00 C ATOM 1219 O ILE A 74 8.331 3.220 -14.774 1.00 0.00 O ATOM 1220 CB ILE A 74 6.764 0.637 -15.400 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.793 -0.891 -15.473 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.500 1.179 -16.052 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.632 -1.432 -16.876 1.00 0.00 C ATOM 0 H ILE A 74 9.401 0.769 -14.575 1.00 0.00 H new ATOM 0 HA ILE A 74 7.973 1.017 -17.145 1.00 0.00 H new ATOM 0 HB ILE A 74 6.764 0.932 -14.351 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.736 -1.249 -15.061 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.998 -1.292 -14.844 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.626 0.750 -15.562 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.476 2.264 -15.953 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.492 0.911 -17.109 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.662 -2.521 -16.852 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.676 -1.105 -17.285 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.442 -1.061 -17.504 1.00 0.00 H new ATOM 1235 N ASN A 75 7.688 3.482 -16.914 1.00 0.00 N ATOM 1236 CA ASN A 75 7.659 4.939 -16.842 1.00 0.00 C ATOM 1237 C ASN A 75 6.226 5.458 -16.909 1.00 0.00 C ATOM 1238 O ASN A 75 5.501 5.189 -17.866 1.00 0.00 O ATOM 1239 CB ASN A 75 8.486 5.543 -17.978 1.00 0.00 C ATOM 1240 CG ASN A 75 8.080 5.007 -19.337 1.00 0.00 C ATOM 1241 OD1 ASN A 75 7.074 5.430 -19.908 1.00 0.00 O ATOM 1242 ND2 ASN A 75 8.861 4.071 -19.862 1.00 0.00 N ATOM 0 H ASN A 75 7.431 3.099 -17.824 1.00 0.00 H new ATOM 0 HA ASN A 75 8.091 5.240 -15.888 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.373 6.627 -17.969 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.542 5.331 -17.808 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.637 3.673 -20.774 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.685 3.750 -19.354 1.00 0.00 H new ATOM 1249 N VAL A 76 5.824 6.204 -15.885 1.00 0.00 N ATOM 1250 CA VAL A 76 4.479 6.763 -15.828 1.00 0.00 C ATOM 1251 C VAL A 76 4.516 8.287 -15.829 1.00 0.00 C ATOM 1252 O VAL A 76 5.178 8.904 -14.993 1.00 0.00 O ATOM 1253 CB VAL A 76 3.723 6.280 -14.575 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.244 6.620 -14.680 1.00 0.00 C ATOM 1255 CG2 VAL A 76 3.923 4.785 -14.377 1.00 0.00 C ATOM 0 H VAL A 76 6.411 6.435 -15.083 1.00 0.00 H new ATOM 0 HA VAL A 76 3.954 6.415 -16.717 1.00 0.00 H new ATOM 0 HB VAL A 76 4.128 6.796 -13.705 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.726 6.271 -13.786 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.124 7.700 -14.771 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.820 6.133 -15.558 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.383 4.460 -13.488 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.545 4.249 -15.248 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.985 4.573 -14.254 1.00 0.00 H new ATOM 1265 N LYS A 77 3.801 8.890 -16.772 1.00 0.00 N ATOM 1266 CA LYS A 77 3.750 10.343 -16.883 1.00 0.00 C ATOM 1267 C LYS A 77 2.364 10.868 -16.520 1.00 0.00 C ATOM 1268 O LYS A 77 1.350 10.263 -16.868 1.00 0.00 O ATOM 1269 CB LYS A 77 4.117 10.781 -18.303 1.00 0.00 C ATOM 1270 CG LYS A 77 2.942 10.773 -19.264 1.00 0.00 C ATOM 1271 CD LYS A 77 2.262 12.131 -19.326 1.00 0.00 C ATOM 1272 CE LYS A 77 2.801 12.972 -20.472 1.00 0.00 C ATOM 1273 NZ LYS A 77 2.423 14.406 -20.334 1.00 0.00 N ATOM 0 H LYS A 77 3.248 8.395 -17.471 1.00 0.00 H new ATOM 0 HA LYS A 77 4.473 10.761 -16.183 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.539 11.785 -18.267 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.895 10.122 -18.688 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.287 10.492 -20.259 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.221 10.018 -18.952 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.187 11.996 -19.447 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.413 12.658 -18.384 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.887 12.885 -20.507 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.419 12.585 -21.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.401 14.851 -21.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.482 14.476 -19.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.121 14.893 -19.736 1.00 0.00 H new ATOM 1287 N VAL A 78 2.328 11.998 -15.821 1.00 0.00 N ATOM 1288 CA VAL A 78 1.067 12.605 -15.414 1.00 0.00 C ATOM 1289 C VAL A 78 1.152 14.127 -15.453 1.00 0.00 C ATOM 1290 O VAL A 78 2.083 14.721 -14.911 1.00 0.00 O ATOM 1291 CB VAL A 78 0.662 12.161 -13.995 1.00 0.00 C ATOM 1292 CG1 VAL A 78 1.790 12.428 -13.010 1.00 0.00 C ATOM 1293 CG2 VAL A 78 -0.614 12.867 -13.561 1.00 0.00 C ATOM 0 H VAL A 78 3.158 12.511 -15.525 1.00 0.00 H new ATOM 0 HA VAL A 78 0.310 12.268 -16.122 1.00 0.00 H new ATOM 0 HB VAL A 78 0.470 11.088 -14.009 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.486 12.108 -12.013 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.678 11.873 -13.314 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.016 13.494 -12.996 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.886 12.542 -12.557 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.452 13.945 -13.562 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.420 12.621 -14.253 1.00 0.00 H new ATOM 1303 N ALA A 79 0.173 14.752 -16.099 1.00 0.00 N ATOM 1304 CA ALA A 79 0.135 16.205 -16.208 1.00 0.00 C ATOM 1305 C ALA A 79 -0.205 16.847 -14.867 1.00 0.00 C ATOM 1306 O ALA A 79 -0.965 16.290 -14.075 1.00 0.00 O ATOM 1307 CB ALA A 79 -0.871 16.629 -17.268 1.00 0.00 C ATOM 0 H ALA A 79 -0.605 14.274 -16.555 1.00 0.00 H new ATOM 0 HA ALA A 79 1.126 16.548 -16.505 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.889 17.717 -17.338 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.584 16.208 -18.231 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.862 16.267 -16.995 1.00 0.00 H new ATOM 1313 N LYS A 80 0.364 18.021 -14.617 1.00 0.00 N ATOM 1314 CA LYS A 80 0.122 18.741 -13.372 1.00 0.00 C ATOM 1315 C LYS A 80 -0.856 19.891 -13.590 1.00 0.00 C ATOM 1316 O LYS A 80 -1.073 20.329 -14.721 1.00 0.00 O ATOM 1317 CB LYS A 80 1.438 19.276 -12.804 1.00 0.00 C ATOM 1318 CG LYS A 80 2.285 20.015 -13.825 1.00 0.00 C ATOM 1319 CD LYS A 80 3.488 20.679 -13.176 1.00 0.00 C ATOM 1320 CE LYS A 80 4.697 19.755 -13.166 1.00 0.00 C ATOM 1321 NZ LYS A 80 4.508 18.606 -12.238 1.00 0.00 N ATOM 0 H LYS A 80 0.997 18.495 -15.261 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.318 18.045 -12.658 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.219 19.946 -11.972 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.015 18.444 -12.400 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.623 19.318 -14.592 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.678 20.769 -14.325 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.733 21.595 -13.713 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.239 20.966 -12.154 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.878 19.382 -14.174 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.582 20.318 -12.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.435 18.275 -11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.933 18.907 -11.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.024 17.833 -12.737 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.442 20.378 -12.502 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.396 21.479 -12.574 1.00 0.00 C ATOM 1337 C LEU A 81 -1.685 22.797 -12.866 1.00 0.00 C ATOM 1338 O LEU A 81 -2.146 23.594 -13.681 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.178 21.588 -11.264 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.155 20.450 -10.969 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -4.942 20.737 -9.700 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.096 20.236 -12.145 1.00 0.00 C ATOM 0 H LEU A 81 -1.273 20.028 -11.559 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.090 21.273 -13.389 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.464 21.650 -10.442 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.735 22.525 -11.273 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.582 19.536 -10.817 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.632 19.916 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.254 20.839 -8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.505 21.663 -9.822 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.784 19.422 -11.917 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.662 21.149 -12.329 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.517 19.983 -13.033 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.558 23.016 -12.197 1.00 0.00 N ATOM 1355 CA ASN A 82 0.218 24.237 -12.386 1.00 0.00 C ATOM 1356 C ASN A 82 1.602 23.920 -12.944 1.00 0.00 C ATOM 1357 O ASN A 82 2.386 23.204 -12.320 1.00 0.00 O ATOM 1358 CB ASN A 82 0.350 24.993 -11.062 1.00 0.00 C ATOM 1359 CG ASN A 82 -0.921 24.937 -10.236 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -1.732 25.862 -10.262 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -1.098 23.848 -9.497 1.00 0.00 N ATOM 0 H ASN A 82 -0.162 22.365 -11.520 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.309 24.866 -13.104 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.173 24.571 -10.486 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.603 26.034 -11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.934 23.754 -8.920 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.398 23.106 -9.507 1.00 0.00 H new ATOM 1368 N LYS A 83 1.897 24.459 -14.122 1.00 0.00 N ATOM 1369 CA LYS A 83 3.187 24.237 -14.765 1.00 0.00 C ATOM 1370 C LYS A 83 4.317 24.845 -13.941 1.00 0.00 C ATOM 1371 O LYS A 83 4.085 25.701 -13.088 1.00 0.00 O ATOM 1372 CB LYS A 83 3.188 24.836 -16.173 1.00 0.00 C ATOM 1373 CG LYS A 83 4.358 24.379 -17.027 1.00 0.00 C ATOM 1374 CD LYS A 83 4.031 24.461 -18.509 1.00 0.00 C ATOM 1375 CE LYS A 83 4.999 23.631 -19.340 1.00 0.00 C ATOM 1376 NZ LYS A 83 6.112 24.458 -19.883 1.00 0.00 N ATOM 0 H LYS A 83 1.259 25.053 -14.652 1.00 0.00 H new ATOM 0 HA LYS A 83 3.350 23.162 -14.835 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.257 24.568 -16.673 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.208 25.923 -16.096 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.230 24.996 -16.811 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.621 23.353 -16.767 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.012 24.111 -18.678 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.069 25.501 -18.834 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.408 22.828 -18.727 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.461 23.161 -20.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.750 23.857 -20.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.723 25.209 -20.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.641 24.887 -19.097 1.00 0.00 H new ATOM 1390 N ASN A 84 5.541 24.398 -14.203 1.00 0.00 N ATOM 1391 CA ASN A 84 6.708 24.900 -13.486 1.00 0.00 C ATOM 1392 C ASN A 84 6.603 24.594 -11.995 1.00 0.00 C ATOM 1393 O ASN A 84 7.305 25.190 -11.179 1.00 0.00 O ATOM 1394 CB ASN A 84 6.854 26.408 -13.699 1.00 0.00 C ATOM 1395 CG ASN A 84 7.785 26.742 -14.849 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.637 27.624 -14.736 1.00 0.00 O ATOM 1397 ND2 ASN A 84 7.626 26.037 -15.963 1.00 0.00 N ATOM 0 H ASN A 84 5.751 23.689 -14.906 1.00 0.00 H new ATOM 0 HA ASN A 84 7.590 24.397 -13.881 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.873 26.842 -13.892 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.231 26.867 -12.785 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.223 26.217 -16.770 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.907 25.315 -16.012 1.00 0.00 H new ATOM 1404 N GLU A 85 5.722 23.661 -11.648 1.00 0.00 N ATOM 1405 CA GLU A 85 5.525 23.277 -10.255 1.00 0.00 C ATOM 1406 C GLU A 85 6.398 22.079 -9.893 1.00 0.00 C ATOM 1407 O GLU A 85 6.374 21.051 -10.571 1.00 0.00 O ATOM 1408 CB GLU A 85 4.054 22.946 -9.997 1.00 0.00 C ATOM 1409 CG GLU A 85 3.769 22.513 -8.569 1.00 0.00 C ATOM 1410 CD GLU A 85 2.742 21.399 -8.491 1.00 0.00 C ATOM 1411 OE1 GLU A 85 3.065 20.264 -8.899 1.00 0.00 O ATOM 1412 OE2 GLU A 85 1.616 21.664 -8.021 1.00 0.00 O ATOM 0 H GLU A 85 5.134 23.157 -12.312 1.00 0.00 H new ATOM 0 HA GLU A 85 5.815 24.120 -9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.447 23.821 -10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.744 22.152 -10.677 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.696 22.181 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.414 23.370 -7.997 1.00 0.00 H new ATOM 1419 N TYR A 86 7.170 22.219 -8.821 1.00 0.00 N ATOM 1420 CA TYR A 86 8.053 21.151 -8.370 1.00 0.00 C ATOM 1421 C TYR A 86 7.488 20.463 -7.131 1.00 0.00 C ATOM 1422 O TYR A 86 6.425 20.833 -6.632 1.00 0.00 O ATOM 1423 CB TYR A 86 9.447 21.705 -8.069 1.00 0.00 C ATOM 1424 CG TYR A 86 9.534 22.437 -6.748 1.00 0.00 C ATOM 1425 CD1 TYR A 86 9.260 23.797 -6.666 1.00 0.00 C ATOM 1426 CD2 TYR A 86 9.892 21.769 -5.584 1.00 0.00 C ATOM 1427 CE1 TYR A 86 9.339 24.470 -5.462 1.00 0.00 C ATOM 1428 CE2 TYR A 86 9.973 22.434 -4.375 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.696 23.784 -4.320 1.00 0.00 C ATOM 1430 OH TYR A 86 9.776 24.450 -3.118 1.00 0.00 O ATOM 0 H TYR A 86 7.202 23.062 -8.248 1.00 0.00 H new ATOM 0 HA TYR A 86 8.127 20.414 -9.170 1.00 0.00 H new ATOM 0 HB2 TYR A 86 10.163 20.883 -8.068 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.741 22.383 -8.871 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.981 24.337 -7.559 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.111 20.712 -5.624 1.00 0.00 H new ATOM 0 HE1 TYR A 86 9.122 25.527 -5.415 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.252 21.900 -3.479 1.00 0.00 H new ATOM 0 HH TYR A 86 10.039 23.822 -2.413 1.00 0.00 H new ATOM 1440 N PHE A 87 8.208 19.460 -6.639 1.00 0.00 N ATOM 1441 CA PHE A 87 7.780 18.720 -5.458 1.00 0.00 C ATOM 1442 C PHE A 87 8.924 18.581 -4.458 1.00 0.00 C ATOM 1443 O PHE A 87 10.091 18.510 -4.842 1.00 0.00 O ATOM 1444 CB PHE A 87 7.265 17.335 -5.857 1.00 0.00 C ATOM 1445 CG PHE A 87 6.032 17.378 -6.712 1.00 0.00 C ATOM 1446 CD1 PHE A 87 6.092 17.844 -8.015 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.811 16.951 -6.213 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.959 17.885 -8.806 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.675 16.989 -6.999 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.748 17.457 -8.296 1.00 0.00 C ATOM 0 H PHE A 87 9.090 19.141 -7.040 1.00 0.00 H new ATOM 0 HA PHE A 87 6.973 19.278 -4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.051 16.804 -6.394 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.052 16.761 -4.955 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.036 18.180 -8.418 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.747 16.585 -5.199 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.020 18.251 -9.820 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.730 16.653 -6.599 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.861 17.489 -8.911 1.00 0.00 H new ATOM 1460 N GLU A 88 8.580 18.542 -3.175 1.00 0.00 N ATOM 1461 CA GLU A 88 9.579 18.413 -2.120 1.00 0.00 C ATOM 1462 C GLU A 88 9.295 17.193 -1.248 1.00 0.00 C ATOM 1463 O GLU A 88 9.816 17.075 -0.139 1.00 0.00 O ATOM 1464 CB GLU A 88 9.607 19.676 -1.256 1.00 0.00 C ATOM 1465 CG GLU A 88 10.909 19.865 -0.497 1.00 0.00 C ATOM 1466 CD GLU A 88 10.904 21.111 0.368 1.00 0.00 C ATOM 1467 OE1 GLU A 88 9.950 21.281 1.156 1.00 0.00 O ATOM 1468 OE2 GLU A 88 11.853 21.915 0.258 1.00 0.00 O ATOM 0 H GLU A 88 7.618 18.598 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 88 10.553 18.282 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.437 20.545 -1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.783 19.637 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.089 18.992 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.734 19.923 -1.207 1.00 0.00 H new ATOM 1475 N ASP A 89 8.466 16.290 -1.758 1.00 0.00 N ATOM 1476 CA ASP A 89 8.113 15.078 -1.028 1.00 0.00 C ATOM 1477 C ASP A 89 8.566 13.834 -1.786 1.00 0.00 C ATOM 1478 O ASP A 89 8.611 12.736 -1.229 1.00 0.00 O ATOM 1479 CB ASP A 89 6.603 15.023 -0.789 1.00 0.00 C ATOM 1480 CG ASP A 89 6.136 16.063 0.210 1.00 0.00 C ATOM 1481 OD1 ASP A 89 6.982 16.845 0.690 1.00 0.00 O ATOM 1482 OD2 ASP A 89 4.925 16.094 0.513 1.00 0.00 O ATOM 0 H ASP A 89 8.026 16.374 -2.674 1.00 0.00 H new ATOM 0 HA ASP A 89 8.625 15.101 -0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.083 15.173 -1.735 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.331 14.031 -0.430 1.00 0.00 H new ATOM 1487 N LEU A 90 8.902 14.013 -3.059 1.00 0.00 N ATOM 1488 CA LEU A 90 9.351 12.906 -3.895 1.00 0.00 C ATOM 1489 C LEU A 90 10.695 12.370 -3.412 1.00 0.00 C ATOM 1490 O LEU A 90 11.132 11.297 -3.827 1.00 0.00 O ATOM 1491 CB LEU A 90 9.462 13.353 -5.353 1.00 0.00 C ATOM 1492 CG LEU A 90 8.193 13.940 -5.973 1.00 0.00 C ATOM 1493 CD1 LEU A 90 8.388 14.181 -7.462 1.00 0.00 C ATOM 1494 CD2 LEU A 90 7.006 13.018 -5.731 1.00 0.00 C ATOM 0 H LEU A 90 8.872 14.915 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 90 8.614 12.106 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.255 14.097 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.773 12.497 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 90 7.988 14.898 -5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.475 14.599 -7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.211 14.880 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.619 13.237 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.112 13.451 -6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.203 12.045 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.852 12.896 -4.659 1.00 0.00 H new ATOM 1506 N ASP A 91 11.345 13.124 -2.532 1.00 0.00 N ATOM 1507 CA ASP A 91 12.638 12.723 -1.990 1.00 0.00 C ATOM 1508 C ASP A 91 12.468 11.676 -0.894 1.00 0.00 C ATOM 1509 O ASP A 91 13.383 10.902 -0.612 1.00 0.00 O ATOM 1510 CB ASP A 91 13.383 13.940 -1.438 1.00 0.00 C ATOM 1511 CG ASP A 91 13.865 14.870 -2.534 1.00 0.00 C ATOM 1512 OD1 ASP A 91 14.518 14.382 -3.480 1.00 0.00 O ATOM 1513 OD2 ASP A 91 13.591 16.085 -2.445 1.00 0.00 O ATOM 0 H ASP A 91 10.998 14.016 -2.179 1.00 0.00 H new ATOM 0 HA ASP A 91 13.222 12.284 -2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.726 14.489 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.237 13.604 -0.849 1.00 0.00 H new ATOM 1518 N LEU A 92 11.290 11.657 -0.279 1.00 0.00 N ATOM 1519 CA LEU A 92 10.999 10.705 0.787 1.00 0.00 C ATOM 1520 C LEU A 92 10.047 9.617 0.301 1.00 0.00 C ATOM 1521 O LEU A 92 8.860 9.852 0.075 1.00 0.00 O ATOM 1522 CB LEU A 92 10.393 11.428 1.992 1.00 0.00 C ATOM 1523 CG LEU A 92 11.179 12.629 2.519 1.00 0.00 C ATOM 1524 CD1 LEU A 92 12.672 12.346 2.485 1.00 0.00 C ATOM 1525 CD2 LEU A 92 10.852 13.877 1.711 1.00 0.00 C ATOM 0 H LEU A 92 10.521 12.290 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 92 11.936 10.235 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.392 11.764 1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.280 10.709 2.803 1.00 0.00 H new ATOM 0 HG LEU A 92 10.887 12.804 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.215 13.212 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.892 11.479 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.981 12.144 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.420 14.722 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.115 13.713 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.786 14.091 1.787 1.00 0.00 H new ATOM 1537 N PRO A 93 10.578 8.396 0.137 1.00 0.00 N ATOM 1538 CA PRO A 93 9.793 7.247 -0.321 1.00 0.00 C ATOM 1539 C PRO A 93 8.788 6.777 0.725 1.00 0.00 C ATOM 1540 O PRO A 93 7.946 5.920 0.453 1.00 0.00 O ATOM 1541 CB PRO A 93 10.852 6.169 -0.568 1.00 0.00 C ATOM 1542 CG PRO A 93 11.986 6.542 0.324 1.00 0.00 C ATOM 1543 CD PRO A 93 11.986 8.044 0.388 1.00 0.00 C ATOM 0 HA PRO A 93 9.196 7.487 -1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.470 5.176 -0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.160 6.149 -1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.860 6.109 1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.931 6.168 -0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.323 8.405 1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.648 8.478 -0.361 1.00 0.00 H new ATOM 1551 N THR A 94 8.880 7.343 1.924 1.00 0.00 N ATOM 1552 CA THR A 94 7.980 6.982 3.012 1.00 0.00 C ATOM 1553 C THR A 94 6.808 7.952 3.101 1.00 0.00 C ATOM 1554 O THR A 94 5.715 7.584 3.533 1.00 0.00 O ATOM 1555 CB THR A 94 8.715 6.958 4.365 1.00 0.00 C ATOM 1556 OG1 THR A 94 9.136 8.280 4.718 1.00 0.00 O ATOM 1557 CG2 THR A 94 9.923 6.034 4.309 1.00 0.00 C ATOM 0 H THR A 94 9.570 8.054 2.166 1.00 0.00 H new ATOM 0 HA THR A 94 7.605 5.982 2.793 1.00 0.00 H new ATOM 0 HB THR A 94 8.025 6.583 5.121 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.601 8.256 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.426 6.034 5.276 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.596 5.022 4.070 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.613 6.384 3.541 1.00 0.00 H new ATOM 1565 N LYS A 95 7.040 9.193 2.688 1.00 0.00 N ATOM 1566 CA LYS A 95 6.003 10.217 2.719 1.00 0.00 C ATOM 1567 C LYS A 95 4.881 9.884 1.741 1.00 0.00 C ATOM 1568 O LYS A 95 3.745 10.332 1.908 1.00 0.00 O ATOM 1569 CB LYS A 95 6.599 11.586 2.381 1.00 0.00 C ATOM 1570 CG LYS A 95 7.031 12.380 3.601 1.00 0.00 C ATOM 1571 CD LYS A 95 8.009 11.595 4.459 1.00 0.00 C ATOM 1572 CE LYS A 95 8.937 12.518 5.234 1.00 0.00 C ATOM 1573 NZ LYS A 95 8.305 13.015 6.487 1.00 0.00 N ATOM 0 H LYS A 95 7.938 9.514 2.327 1.00 0.00 H new ATOM 0 HA LYS A 95 5.587 10.247 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.459 11.447 1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.863 12.165 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.493 13.315 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.155 12.643 4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.458 10.963 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.599 10.932 3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.857 11.987 5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.214 13.365 4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.969 13.641 6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.440 13.544 6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.064 12.208 7.098 1.00 0.00 H new ATOM 1587 N LEU A 96 5.204 9.095 0.722 1.00 0.00 N ATOM 1588 CA LEU A 96 4.222 8.701 -0.281 1.00 0.00 C ATOM 1589 C LEU A 96 3.398 7.511 0.201 1.00 0.00 C ATOM 1590 O LEU A 96 2.171 7.509 0.098 1.00 0.00 O ATOM 1591 CB LEU A 96 4.921 8.352 -1.597 1.00 0.00 C ATOM 1592 CG LEU A 96 6.120 9.223 -1.971 1.00 0.00 C ATOM 1593 CD1 LEU A 96 7.033 8.486 -2.940 1.00 0.00 C ATOM 1594 CD2 LEU A 96 5.656 10.542 -2.571 1.00 0.00 C ATOM 0 H LEU A 96 6.138 8.716 0.569 1.00 0.00 H new ATOM 0 HA LEU A 96 3.549 9.542 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.253 7.315 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.188 8.412 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 96 6.685 9.439 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.881 9.121 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.394 7.569 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.479 8.239 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.523 11.149 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.068 10.347 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.044 11.077 -1.845 1.00 0.00 H new ATOM 1606 N LEU A 97 4.081 6.501 0.729 1.00 0.00 N ATOM 1607 CA LEU A 97 3.412 5.305 1.231 1.00 0.00 C ATOM 1608 C LEU A 97 2.498 5.644 2.405 1.00 0.00 C ATOM 1609 O LEU A 97 1.501 4.964 2.644 1.00 0.00 O ATOM 1610 CB LEU A 97 4.445 4.261 1.658 1.00 0.00 C ATOM 1611 CG LEU A 97 4.899 3.284 0.573 1.00 0.00 C ATOM 1612 CD1 LEU A 97 5.351 4.037 -0.668 1.00 0.00 C ATOM 1613 CD2 LEU A 97 6.016 2.391 1.094 1.00 0.00 C ATOM 0 H LEU A 97 5.097 6.486 0.821 1.00 0.00 H new ATOM 0 HA LEU A 97 2.801 4.895 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.323 4.782 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.030 3.686 2.486 1.00 0.00 H new ATOM 0 HG LEU A 97 4.053 2.653 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.670 3.325 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.524 4.633 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.183 4.693 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.327 1.702 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.864 3.007 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.658 1.824 1.953 1.00 0.00 H new